USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=63 USER MOD reduce.3.24.130724 removed 1727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 16 HIS : no HE2:sc= 1.52 K(o=3.4,f=-17!) USER MOD Set 1.2: B 92 SER OG : rot -75:sc= 1.42 USER MOD Set 1.3: B 108 CYS SG : rot 115:sc= 0.463 USER MOD Set 2.1: B 73 SER OG : rot 180:sc= 0.708 USER MOD Set 2.2: B 91 SER OG : rot -71:sc= 0.812 USER MOD Set 3.1: B 90 THR OG1 : rot 128:sc= 0.91 USER MOD Set 3.2: B 110 ASN : amide:sc= -0.0068 K(o=0.9,f=-0.93) USER MOD Set 4.1: B 35 TYR OH : rot 147:sc= 0.198 USER MOD Set 4.2: B 83 GLN : amide:sc= 1.12 K(o=1.3,f=-5.5!) USER MOD Set 5.1: A 99 GLN : amide:sc= 1.78 K(o=2.8,f=-7.7!) USER MOD Set 5.2: A 100 CYS SG : rot 19:sc= 1.03 USER MOD Set 6.1: A 65 GLN : amide:sc= 0.228 K(o=0.52,f=-0.46) USER MOD Set 6.2: B 70 GLN : amide:sc= 0.296 K(o=0.52,f=-5.4!) USER MOD Set 7.1: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 53 MET CE :methyl -119:sc= -0.0547 (180deg=-0.168) USER MOD Set 8.1: A 13 SER OG : rot -170:sc= 0.919 USER MOD Set 8.2: A 19 THR OG1 : rot 177:sc= 0.967 USER MOD Set 9.1: A 10 SER OG : rot 101:sc= 1.82 USER MOD Set 9.2: A 12 HIS : no HE2:sc= 1.34 K(o=5.9,f=-3.9!) USER MOD Set 9.3: A 45 TYR OH : rot 135:sc= 0.333 USER MOD Set 9.4: A 71 TYR OH : rot -117:sc= 1.22 USER MOD Set 9.5: A 85 THR OG1 : rot -112:sc= 0.953 USER MOD Set 9.6: A 103 CYS SG : rot 180:sc= -1.07 USER MOD Set 9.7: A 105 ASN : amide:sc= 1.31 K(o=5.9,f=3.6) USER MOD Set10.1: A 7 THR OG1 : rot 95:sc= 1.25 USER MOD Set10.2: B 97 ASN : amide:sc= -3.3! C(o=-2.1!,f=-5.1!) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.08) USER MOD Single : A 14 MET CE :methyl -161:sc= -0.147 (180deg=-0.719) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 8:sc= 0.494 USER MOD Single : A 21 CYS SG : rot 129:sc= 0.094 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0428 X(o=-0.043,f=0.0029) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 46 HIS : no HD1:sc= -7.08! C(o=-7.1!,f=-3.8!) USER MOD Single : A 50 SER OG : rot 51:sc= 1.26 USER MOD Single : A 52 ASN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 54 THR OG1 : rot 72:sc= 0.268 USER MOD Single : A 55 LYS NZ :NH3+ -125:sc= 0.645 (180deg=0.423) USER MOD Single : A 56 SER OG : rot 81:sc= 1.23 USER MOD Single : A 57 HIS : no HD1:sc= 0.497 K(o=0.5,f=-2.1!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 61 CYS SG : rot 47:sc= 1.24 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 1.07 K(o=1.1,f=-0.35) USER MOD Single : A 73 MET CE :methyl 176:sc= -0.931 (180deg=-0.984) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 1.05 (180deg=0.879) USER MOD Single : A 77 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.16) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -125:sc= 0.202 USER MOD Single : A 92 ASN : amide:sc= -1.64! C(o=-1.6!,f=-10!) USER MOD Single : A 95 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.67) USER MOD Single : A 97 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.9!) USER MOD Single : A 102 MET CE :methyl 170:sc=-0.00289 (180deg=-0.217) USER MOD Single : A 106 TYR OH : rot 165:sc= -0.545 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= -0.509 K(o=-0.51,f=-2.2!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : B 14 SER OG : rot -78:sc= 0.93 USER MOD Single : B 17 ASN : amide:sc= -0.148 K(o=-0.15,f=-8!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0504 USER MOD Single : B 27 HIS : no HD1:sc= -0.0911 X(o=-0.091,f=0) USER MOD Single : B 29 CYS SG : rot 96:sc= 1.19 USER MOD Single : B 32 THR OG1 : rot 73:sc= 0.101 USER MOD Single : B 36 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.045) USER MOD Single : B 38 GLN : amide:sc= 0.485 K(o=0.48,f=-6.2!) USER MOD Single : B 43 LYS NZ :NH3+ -166:sc= 0.456 (180deg=-0.434!) USER MOD Single : B 44 ASN : amide:sc= 0.333 X(o=0.33,f=-0.15) USER MOD Single : B 49 CYS SG : rot 79:sc= -0.408 USER MOD Single : B 50 HIS : no HE2:sc= -0.309 K(o=-0.31,f=-5.3!) USER MOD Single : B 54 GLN : amide:sc= -1.23 K(o=-1.2,f=-1.9) USER MOD Single : B 55 GLN : amide:sc= -0.0972 K(o=-0.097,f=-0.61) USER MOD Single : B 60 SER OG : rot 68:sc= 1.25 USER MOD Single : B 62 GLN : amide:sc= -0.68 K(o=-0.68,f=-0.1) USER MOD Single : B 63 GLN : amide:sc= 0.0912 X(o=0.091,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.19) USER MOD Single : B 75 MET CE :methyl 146:sc= -1.17 (180deg=-3.86!) USER MOD Single : B 80 SER OG : rot -178:sc= 0.644 USER MOD Single : B 81 LYS NZ :NH3+ 158:sc= -0.612 (180deg=-0.659!) USER MOD Single : B 82 ASN : amide:sc=-0.00217 K(o=-0.0022,f=-0.89) USER MOD Single : B 88 MET CE :methyl 158:sc= -0.503 (180deg=-1.89!) USER MOD Single : B 94 THR OG1 : rot -138:sc= 0.309 USER MOD Single : B 96 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.064) USER MOD Single : B 99 TYR OH : rot 78:sc= 1.13 USER MOD Single : B 100 SER OG : rot 104:sc= 0.0755 USER MOD Single : B 105 TYR OH : rot -108:sc= 0.125 USER MOD Single : B 109 THR OG1 : rot 180:sc= 1.4 USER MOD Single : B 111 THR OG1 : rot 85:sc= 0.208 USER MOD Single : B 112 ASN : amide:sc= 1.24 K(o=1.2,f=-0.11) USER MOD Single : B 114 LYS NZ :NH3+ 146:sc= 1.06 (180deg=0.0786) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -10.126 12.774 0.718 1.00 0.00 N ATOM 2 CA LYS A 6 -9.450 11.912 1.712 1.00 0.00 C ATOM 3 C LYS A 6 -9.108 10.569 1.085 1.00 0.00 C ATOM 4 O LYS A 6 -9.952 9.935 0.444 1.00 0.00 O ATOM 5 CB LYS A 6 -10.341 11.713 2.943 1.00 0.00 C ATOM 6 CG LYS A 6 -9.597 11.212 4.175 1.00 0.00 C ATOM 7 CD LYS A 6 -10.517 11.127 5.385 1.00 0.00 C ATOM 8 CE LYS A 6 -9.759 10.749 6.649 1.00 0.00 C ATOM 9 NZ LYS A 6 -9.666 11.885 7.605 1.00 0.00 N ATOM 0 HA LYS A 6 -8.528 12.399 2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.826 12.659 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.131 11.004 2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.172 10.230 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.765 11.880 4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.013 12.087 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.298 10.390 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.257 9.908 7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.756 10.416 6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.296 11.544 8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.027 12.610 7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.610 12.296 7.748 1.00 0.00 H new ATOM 25 N THR A 7 -7.870 10.146 1.269 1.00 0.00 N ATOM 26 CA THR A 7 -7.395 8.893 0.712 1.00 0.00 C ATOM 27 C THR A 7 -6.921 7.946 1.812 1.00 0.00 C ATOM 28 O THR A 7 -6.444 8.390 2.858 1.00 0.00 O ATOM 29 CB THR A 7 -6.237 9.157 -0.273 1.00 0.00 C ATOM 30 OG1 THR A 7 -6.138 10.564 -0.538 1.00 0.00 O ATOM 31 CG2 THR A 7 -6.446 8.404 -1.578 1.00 0.00 C ATOM 0 H THR A 7 -7.170 10.658 1.805 1.00 0.00 H new ATOM 0 HA THR A 7 -8.226 8.424 0.185 1.00 0.00 H new ATOM 0 HB THR A 7 -5.313 8.802 0.183 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.472 10.963 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.615 8.609 -2.253 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.495 7.334 -1.377 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.378 8.729 -2.041 1.00 0.00 H new ATOM 39 N PHE A 8 -7.083 6.649 1.587 1.00 0.00 N ATOM 40 CA PHE A 8 -6.644 5.648 2.551 1.00 0.00 C ATOM 41 C PHE A 8 -6.230 4.365 1.828 1.00 0.00 C ATOM 42 O PHE A 8 -6.939 3.881 0.943 1.00 0.00 O ATOM 43 CB PHE A 8 -7.725 5.378 3.615 1.00 0.00 C ATOM 44 CG PHE A 8 -9.035 4.847 3.097 1.00 0.00 C ATOM 45 CD1 PHE A 8 -9.901 5.661 2.384 1.00 0.00 C ATOM 46 CD2 PHE A 8 -9.410 3.537 3.350 1.00 0.00 C ATOM 47 CE1 PHE A 8 -11.112 5.177 1.929 1.00 0.00 C ATOM 48 CE2 PHE A 8 -10.621 3.049 2.900 1.00 0.00 C ATOM 49 CZ PHE A 8 -11.474 3.870 2.188 1.00 0.00 C ATOM 0 H PHE A 8 -7.515 6.265 0.746 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.773 6.037 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.327 4.667 4.338 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.918 6.306 4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.626 6.686 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.747 2.890 3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.776 5.821 1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.901 2.026 3.105 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.421 3.490 1.835 1.00 0.00 H new ATOM 59 N LEU A 9 -5.075 3.828 2.200 1.00 0.00 N ATOM 60 CA LEU A 9 -4.542 2.624 1.569 1.00 0.00 C ATOM 61 C LEU A 9 -4.756 1.406 2.460 1.00 0.00 C ATOM 62 O LEU A 9 -4.390 1.410 3.634 1.00 0.00 O ATOM 63 CB LEU A 9 -3.043 2.811 1.277 1.00 0.00 C ATOM 64 CG LEU A 9 -2.460 1.971 0.126 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.186 0.541 0.568 1.00 0.00 C ATOM 66 CD2 LEU A 9 -3.391 1.985 -1.075 1.00 0.00 C ATOM 0 H LEU A 9 -4.485 4.209 2.940 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.073 2.457 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.867 3.864 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.486 2.579 2.185 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.511 2.421 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.775 -0.026 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.471 0.545 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.116 0.078 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.960 1.385 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.358 1.569 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.524 3.010 -1.420 1.00 0.00 H new ATOM 78 N SER A 10 -5.348 0.365 1.897 1.00 0.00 N ATOM 79 CA SER A 10 -5.590 -0.855 2.644 1.00 0.00 C ATOM 80 C SER A 10 -4.989 -2.054 1.916 1.00 0.00 C ATOM 81 O SER A 10 -5.105 -2.175 0.694 1.00 0.00 O ATOM 82 CB SER A 10 -7.093 -1.055 2.874 1.00 0.00 C ATOM 83 OG SER A 10 -7.841 -0.817 1.689 1.00 0.00 O ATOM 0 H SER A 10 -5.668 0.342 0.929 1.00 0.00 H new ATOM 0 HA SER A 10 -5.106 -0.768 3.617 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.276 -2.072 3.222 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.434 -0.382 3.661 1.00 0.00 H new ATOM 0 HG SER A 10 -8.077 -1.673 1.274 1.00 0.00 H new ATOM 89 N ARG A 11 -4.335 -2.931 2.665 1.00 0.00 N ATOM 90 CA ARG A 11 -3.729 -4.119 2.086 1.00 0.00 C ATOM 91 C ARG A 11 -4.694 -5.290 2.175 1.00 0.00 C ATOM 92 O ARG A 11 -5.258 -5.566 3.236 1.00 0.00 O ATOM 93 CB ARG A 11 -2.409 -4.469 2.786 1.00 0.00 C ATOM 94 CG ARG A 11 -1.922 -5.884 2.497 1.00 0.00 C ATOM 95 CD ARG A 11 -0.448 -6.060 2.826 1.00 0.00 C ATOM 96 NE ARG A 11 -0.183 -6.013 4.262 1.00 0.00 N ATOM 97 CZ ARG A 11 0.904 -5.464 4.798 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.831 -4.930 4.018 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.071 -5.457 6.116 1.00 0.00 N ATOM 0 H ARG A 11 -4.211 -2.841 3.673 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.509 -3.911 1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.643 -3.759 2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.535 -4.350 3.862 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.510 -6.595 3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.089 -6.116 1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.102 -7.014 2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.127 -5.279 2.328 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.872 -6.425 4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.712 -4.939 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.664 -4.509 4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.364 -5.874 6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.906 -5.035 6.522 1.00 0.00 H new ATOM 113 N HIS A 12 -4.902 -5.952 1.051 1.00 0.00 N ATOM 114 CA HIS A 12 -5.788 -7.101 0.985 1.00 0.00 C ATOM 115 C HIS A 12 -4.974 -8.307 0.539 1.00 0.00 C ATOM 116 O HIS A 12 -4.035 -8.159 -0.237 1.00 0.00 O ATOM 117 CB HIS A 12 -6.951 -6.829 0.013 1.00 0.00 C ATOM 118 CG HIS A 12 -7.721 -5.572 0.316 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.037 -5.566 0.727 1.00 0.00 N ATOM 120 CD2 HIS A 12 -7.347 -4.271 0.263 1.00 0.00 C ATOM 121 CE1 HIS A 12 -9.433 -4.320 0.917 1.00 0.00 C ATOM 122 NE2 HIS A 12 -8.425 -3.515 0.641 1.00 0.00 N ATOM 0 H HIS A 12 -4.464 -5.710 0.162 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.223 -7.296 1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.556 -6.765 -1.001 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.636 -7.677 0.036 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.615 -6.395 0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.375 -3.898 -0.025 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.416 -4.013 1.243 1.00 0.00 H new ATOM 131 N SER A 13 -5.296 -9.486 1.045 1.00 0.00 N ATOM 132 CA SER A 13 -4.546 -10.680 0.678 1.00 0.00 C ATOM 133 C SER A 13 -5.465 -11.862 0.388 1.00 0.00 C ATOM 134 O SER A 13 -6.383 -12.141 1.160 1.00 0.00 O ATOM 135 CB SER A 13 -3.567 -11.051 1.797 1.00 0.00 C ATOM 136 OG SER A 13 -2.924 -9.901 2.326 1.00 0.00 O ATOM 0 H SER A 13 -6.060 -9.644 1.702 1.00 0.00 H new ATOM 0 HA SER A 13 -3.995 -10.452 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.102 -11.569 2.593 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.818 -11.744 1.413 1.00 0.00 H new ATOM 0 HG SER A 13 -2.197 -10.178 2.922 1.00 0.00 H new ATOM 142 N MET A 14 -5.209 -12.524 -0.744 1.00 0.00 N ATOM 143 CA MET A 14 -5.953 -13.713 -1.186 1.00 0.00 C ATOM 144 C MET A 14 -7.469 -13.491 -1.254 1.00 0.00 C ATOM 145 O MET A 14 -8.008 -13.166 -2.311 1.00 0.00 O ATOM 146 CB MET A 14 -5.634 -14.902 -0.269 1.00 0.00 C ATOM 147 CG MET A 14 -6.110 -16.239 -0.813 1.00 0.00 C ATOM 148 SD MET A 14 -5.614 -17.628 0.226 1.00 0.00 S ATOM 149 CE MET A 14 -3.829 -17.550 0.073 1.00 0.00 C ATOM 0 H MET A 14 -4.470 -12.247 -1.390 1.00 0.00 H new ATOM 0 HA MET A 14 -5.625 -13.926 -2.204 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.557 -14.948 -0.110 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.093 -14.732 0.705 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.196 -16.225 -0.900 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.711 -16.381 -1.817 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.397 -18.508 0.363 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.562 -17.329 -0.960 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.442 -16.766 0.724 1.00 0.00 H new ATOM 159 N ASP A 15 -8.143 -13.652 -0.115 1.00 0.00 N ATOM 160 CA ASP A 15 -9.598 -13.498 -0.023 1.00 0.00 C ATOM 161 C ASP A 15 -10.020 -12.040 -0.204 1.00 0.00 C ATOM 162 O ASP A 15 -11.205 -11.714 -0.151 1.00 0.00 O ATOM 163 CB ASP A 15 -10.092 -14.015 1.334 1.00 0.00 C ATOM 164 CG ASP A 15 -11.590 -14.255 1.363 1.00 0.00 C ATOM 165 OD1 ASP A 15 -12.080 -15.068 0.554 1.00 0.00 O ATOM 166 OD2 ASP A 15 -12.280 -13.642 2.204 1.00 0.00 O ATOM 0 H ASP A 15 -7.697 -13.893 0.770 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.048 -14.082 -0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.575 -14.944 1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.829 -13.295 2.109 1.00 0.00 H new ATOM 171 N MET A 16 -9.029 -11.171 -0.400 1.00 0.00 N ATOM 172 CA MET A 16 -9.251 -9.741 -0.602 1.00 0.00 C ATOM 173 C MET A 16 -9.752 -9.077 0.677 1.00 0.00 C ATOM 174 O MET A 16 -10.226 -7.942 0.657 1.00 0.00 O ATOM 175 CB MET A 16 -10.228 -9.488 -1.758 1.00 0.00 C ATOM 176 CG MET A 16 -10.098 -8.105 -2.377 1.00 0.00 C ATOM 177 SD MET A 16 -11.352 -7.783 -3.632 1.00 0.00 S ATOM 178 CE MET A 16 -10.841 -6.170 -4.220 1.00 0.00 C ATOM 0 H MET A 16 -8.046 -11.441 -0.423 1.00 0.00 H new ATOM 0 HA MET A 16 -8.292 -9.295 -0.865 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.065 -10.239 -2.531 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.248 -9.620 -1.396 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.173 -7.352 -1.593 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.109 -8.003 -2.823 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.522 -5.835 -5.002 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.860 -5.459 -3.394 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.830 -6.233 -4.622 1.00 0.00 H new ATOM 188 N LYS A 17 -9.624 -9.776 1.791 1.00 0.00 N ATOM 189 CA LYS A 17 -10.054 -9.237 3.069 1.00 0.00 C ATOM 190 C LYS A 17 -9.024 -8.246 3.589 1.00 0.00 C ATOM 191 O LYS A 17 -7.892 -8.200 3.096 1.00 0.00 O ATOM 192 CB LYS A 17 -10.288 -10.351 4.088 1.00 0.00 C ATOM 193 CG LYS A 17 -9.187 -11.395 4.138 1.00 0.00 C ATOM 194 CD LYS A 17 -9.534 -12.504 5.116 1.00 0.00 C ATOM 195 CE LYS A 17 -8.790 -13.786 4.797 1.00 0.00 C ATOM 196 NZ LYS A 17 -9.258 -14.919 5.637 1.00 0.00 N ATOM 0 H LYS A 17 -9.227 -10.715 1.837 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.001 -8.719 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.395 -9.906 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.231 -10.846 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.034 -11.816 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.249 -10.925 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.291 -12.185 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.608 -12.690 5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.927 -14.033 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.722 -13.635 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.726 -15.778 5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.104 -14.694 6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.272 -15.080 5.469 1.00 0.00 H new ATOM 210 N PHE A 18 -9.416 -7.459 4.577 1.00 0.00 N ATOM 211 CA PHE A 18 -8.532 -6.457 5.147 1.00 0.00 C ATOM 212 C PHE A 18 -7.422 -7.095 5.970 1.00 0.00 C ATOM 213 O PHE A 18 -7.647 -7.598 7.069 1.00 0.00 O ATOM 214 CB PHE A 18 -9.320 -5.468 6.007 1.00 0.00 C ATOM 215 CG PHE A 18 -10.163 -4.516 5.205 1.00 0.00 C ATOM 216 CD1 PHE A 18 -11.467 -4.837 4.865 1.00 0.00 C ATOM 217 CD2 PHE A 18 -9.647 -3.299 4.791 1.00 0.00 C ATOM 218 CE1 PHE A 18 -12.241 -3.962 4.126 1.00 0.00 C ATOM 219 CE2 PHE A 18 -10.416 -2.420 4.052 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.714 -2.752 3.719 1.00 0.00 C ATOM 0 H PHE A 18 -10.343 -7.495 5.002 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.072 -5.918 4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.963 -6.024 6.689 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -8.623 -4.896 6.620 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.884 -5.782 5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.632 -3.034 5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -13.256 -4.224 3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -10.002 -1.474 3.735 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.316 -2.067 3.141 1.00 0.00 H new ATOM 230 N THR A 19 -6.224 -7.090 5.414 1.00 0.00 N ATOM 231 CA THR A 19 -5.066 -7.636 6.095 1.00 0.00 C ATOM 232 C THR A 19 -4.320 -6.499 6.783 1.00 0.00 C ATOM 233 O THR A 19 -3.572 -6.701 7.742 1.00 0.00 O ATOM 234 CB THR A 19 -4.138 -8.355 5.103 1.00 0.00 C ATOM 235 OG1 THR A 19 -4.876 -8.686 3.915 1.00 0.00 O ATOM 236 CG2 THR A 19 -3.561 -9.625 5.714 1.00 0.00 C ATOM 0 H THR A 19 -6.028 -6.711 4.487 1.00 0.00 H new ATOM 0 HA THR A 19 -5.395 -8.366 6.835 1.00 0.00 H new ATOM 0 HB THR A 19 -3.312 -7.688 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.274 -9.096 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.908 -10.113 4.990 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.988 -9.372 6.606 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.373 -10.300 5.984 1.00 0.00 H new ATOM 244 N TYR A 20 -4.551 -5.299 6.269 1.00 0.00 N ATOM 245 CA TYR A 20 -3.960 -4.078 6.794 1.00 0.00 C ATOM 246 C TYR A 20 -4.870 -2.908 6.438 1.00 0.00 C ATOM 247 O TYR A 20 -5.215 -2.722 5.271 1.00 0.00 O ATOM 248 CB TYR A 20 -2.555 -3.856 6.221 1.00 0.00 C ATOM 249 CG TYR A 20 -1.972 -2.493 6.535 1.00 0.00 C ATOM 250 CD1 TYR A 20 -1.400 -2.227 7.773 1.00 0.00 C ATOM 251 CD2 TYR A 20 -2.001 -1.472 5.592 1.00 0.00 C ATOM 252 CE1 TYR A 20 -0.873 -0.982 8.062 1.00 0.00 C ATOM 253 CE2 TYR A 20 -1.478 -0.224 5.874 1.00 0.00 C ATOM 254 CZ TYR A 20 -0.915 0.016 7.110 1.00 0.00 C ATOM 255 OH TYR A 20 -0.400 1.259 7.397 1.00 0.00 O ATOM 0 H TYR A 20 -5.161 -5.145 5.466 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.863 -4.159 7.877 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.888 -4.624 6.612 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.590 -3.985 5.139 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.367 -3.005 8.521 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.440 -1.657 4.623 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.430 -0.791 9.029 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.510 0.559 5.131 1.00 0.00 H new ATOM 0 HH TYR A 20 0.068 1.228 8.257 1.00 0.00 H new ATOM 265 N CYS A 21 -5.269 -2.136 7.435 1.00 0.00 N ATOM 266 CA CYS A 21 -6.152 -1.005 7.203 1.00 0.00 C ATOM 267 C CYS A 21 -5.428 0.314 7.439 1.00 0.00 C ATOM 268 O CYS A 21 -4.512 0.391 8.259 1.00 0.00 O ATOM 269 CB CYS A 21 -7.377 -1.093 8.116 1.00 0.00 C ATOM 270 SG CYS A 21 -8.193 -2.706 8.115 1.00 0.00 S ATOM 0 H CYS A 21 -4.997 -2.271 8.409 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.475 -1.040 6.162 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.074 -0.853 9.135 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.098 -0.334 7.811 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.347 -3.115 9.339 1.00 0.00 H new ATOM 276 N ASP A 22 -5.839 1.338 6.706 1.00 0.00 N ATOM 277 CA ASP A 22 -5.258 2.668 6.835 1.00 0.00 C ATOM 278 C ASP A 22 -5.783 3.325 8.107 1.00 0.00 C ATOM 279 O ASP A 22 -6.875 2.999 8.571 1.00 0.00 O ATOM 280 CB ASP A 22 -5.618 3.518 5.611 1.00 0.00 C ATOM 281 CG ASP A 22 -4.795 4.791 5.495 1.00 0.00 C ATOM 282 OD1 ASP A 22 -5.001 5.710 6.310 1.00 0.00 O ATOM 283 OD2 ASP A 22 -3.950 4.880 4.574 1.00 0.00 O ATOM 0 H ASP A 22 -6.580 1.272 6.009 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.173 2.588 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.478 2.921 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.675 3.781 5.659 1.00 0.00 H new ATOM 288 N ASP A 23 -5.024 4.257 8.659 1.00 0.00 N ATOM 289 CA ASP A 23 -5.422 4.938 9.886 1.00 0.00 C ATOM 290 C ASP A 23 -6.574 5.907 9.635 1.00 0.00 C ATOM 291 O ASP A 23 -7.276 6.308 10.566 1.00 0.00 O ATOM 292 CB ASP A 23 -4.229 5.679 10.504 1.00 0.00 C ATOM 293 CG ASP A 23 -3.689 6.789 9.621 1.00 0.00 C ATOM 294 OD1 ASP A 23 -2.810 6.511 8.772 1.00 0.00 O ATOM 295 OD2 ASP A 23 -4.119 7.950 9.786 1.00 0.00 O ATOM 0 H ASP A 23 -4.128 4.562 8.279 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.766 4.179 10.589 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.529 6.101 11.463 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.431 4.964 10.706 1.00 0.00 H new ATOM 300 N ARG A 24 -6.781 6.261 8.376 1.00 0.00 N ATOM 301 CA ARG A 24 -7.843 7.189 8.004 1.00 0.00 C ATOM 302 C ARG A 24 -9.166 6.470 7.742 1.00 0.00 C ATOM 303 O ARG A 24 -10.168 7.107 7.412 1.00 0.00 O ATOM 304 CB ARG A 24 -7.435 7.977 6.761 1.00 0.00 C ATOM 305 CG ARG A 24 -6.299 8.954 7.006 1.00 0.00 C ATOM 306 CD ARG A 24 -5.186 8.772 5.990 1.00 0.00 C ATOM 307 NE ARG A 24 -4.319 9.944 5.917 1.00 0.00 N ATOM 308 CZ ARG A 24 -4.101 10.630 4.800 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.659 10.236 3.665 1.00 0.00 N ATOM 310 NH2 ARG A 24 -3.327 11.704 4.815 1.00 0.00 N ATOM 0 H ARG A 24 -6.227 5.920 7.591 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.992 7.868 8.843 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.139 7.278 5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.300 8.525 6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.677 9.975 6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.903 8.810 8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.592 7.897 6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.619 8.579 5.008 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.855 10.254 6.771 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.254 9.408 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.493 10.761 2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.894 12.009 5.687 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.163 12.227 3.955 1.00 0.00 H new ATOM 324 N ILE A 25 -9.182 5.152 7.912 1.00 0.00 N ATOM 325 CA ILE A 25 -10.389 4.369 7.666 1.00 0.00 C ATOM 326 C ILE A 25 -11.435 4.579 8.770 1.00 0.00 C ATOM 327 O ILE A 25 -12.643 4.517 8.517 1.00 0.00 O ATOM 328 CB ILE A 25 -10.064 2.858 7.524 1.00 0.00 C ATOM 329 CG1 ILE A 25 -11.167 2.145 6.741 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.874 2.202 8.887 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.824 0.714 6.380 1.00 0.00 C ATOM 0 H ILE A 25 -8.377 4.605 8.218 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.809 4.724 6.725 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.127 2.769 6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.083 2.153 7.331 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.372 2.703 5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.648 1.144 8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.050 2.686 9.412 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.788 2.306 9.472 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.651 0.270 5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.925 0.700 5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.648 0.141 7.291 1.00 0.00 H new ATOM 343 N THR A 26 -10.966 4.870 9.977 1.00 0.00 N ATOM 344 CA THR A 26 -11.840 5.069 11.125 1.00 0.00 C ATOM 345 C THR A 26 -12.667 6.350 11.021 1.00 0.00 C ATOM 346 O THR A 26 -13.695 6.488 11.683 1.00 0.00 O ATOM 347 CB THR A 26 -11.011 5.115 12.420 1.00 0.00 C ATOM 348 OG1 THR A 26 -9.703 4.575 12.175 1.00 0.00 O ATOM 349 CG2 THR A 26 -11.695 4.328 13.528 1.00 0.00 C ATOM 0 H THR A 26 -9.973 4.974 10.187 1.00 0.00 H new ATOM 0 HA THR A 26 -12.530 4.225 11.142 1.00 0.00 H new ATOM 0 HB THR A 26 -10.924 6.153 12.740 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.176 4.607 13.001 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.091 4.375 14.434 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.678 4.756 13.725 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.807 3.288 13.220 1.00 0.00 H new ATOM 357 N GLU A 27 -12.232 7.278 10.179 1.00 0.00 N ATOM 358 CA GLU A 27 -12.935 8.548 10.018 1.00 0.00 C ATOM 359 C GLU A 27 -13.851 8.527 8.802 1.00 0.00 C ATOM 360 O GLU A 27 -14.516 9.515 8.497 1.00 0.00 O ATOM 361 CB GLU A 27 -11.930 9.691 9.890 1.00 0.00 C ATOM 362 CG GLU A 27 -10.933 9.753 11.033 1.00 0.00 C ATOM 363 CD GLU A 27 -9.972 10.912 10.900 1.00 0.00 C ATOM 364 OE1 GLU A 27 -9.086 10.855 10.024 1.00 0.00 O ATOM 365 OE2 GLU A 27 -10.099 11.890 11.666 1.00 0.00 O ATOM 0 H GLU A 27 -11.399 7.178 9.598 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.552 8.703 10.903 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.387 9.583 8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.471 10.636 9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.472 9.838 11.977 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.370 8.821 11.071 1.00 0.00 H new ATOM 372 N LEU A 28 -13.891 7.398 8.113 1.00 0.00 N ATOM 373 CA LEU A 28 -14.722 7.267 6.926 1.00 0.00 C ATOM 374 C LEU A 28 -15.735 6.145 7.092 1.00 0.00 C ATOM 375 O LEU A 28 -16.943 6.369 7.026 1.00 0.00 O ATOM 376 CB LEU A 28 -13.851 7.019 5.695 1.00 0.00 C ATOM 377 CG LEU A 28 -13.084 8.246 5.204 1.00 0.00 C ATOM 378 CD1 LEU A 28 -12.130 7.867 4.086 1.00 0.00 C ATOM 379 CD2 LEU A 28 -14.050 9.324 4.739 1.00 0.00 C ATOM 0 H LEU A 28 -13.360 6.561 8.354 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.269 8.200 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.137 6.228 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.483 6.654 4.886 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.498 8.642 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.593 8.754 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.417 7.128 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.694 7.447 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.488 10.191 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.661 8.938 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.695 9.617 5.568 1.00 0.00 H new ATOM 391 N ILE A 29 -15.239 4.937 7.311 1.00 0.00 N ATOM 392 CA ILE A 29 -16.106 3.785 7.492 1.00 0.00 C ATOM 393 C ILE A 29 -16.581 3.720 8.939 1.00 0.00 C ATOM 394 O ILE A 29 -17.700 3.291 9.226 1.00 0.00 O ATOM 395 CB ILE A 29 -15.386 2.473 7.102 1.00 0.00 C ATOM 396 CG1 ILE A 29 -15.011 2.508 5.617 1.00 0.00 C ATOM 397 CG2 ILE A 29 -16.256 1.259 7.409 1.00 0.00 C ATOM 398 CD1 ILE A 29 -14.256 1.284 5.145 1.00 0.00 C ATOM 0 H ILE A 29 -14.242 4.730 7.367 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.968 3.898 6.834 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.476 2.387 7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.920 2.612 5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.404 3.393 5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.726 0.350 7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.478 1.231 8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.187 1.327 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.027 1.384 4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.328 1.189 5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.868 0.396 5.301 1.00 0.00 H new ATOM 410 N GLY A 30 -15.723 4.154 9.850 1.00 0.00 N ATOM 411 CA GLY A 30 -16.072 4.154 11.256 1.00 0.00 C ATOM 412 C GLY A 30 -15.535 2.940 11.979 1.00 0.00 C ATOM 413 O GLY A 30 -15.295 2.981 13.187 1.00 0.00 O ATOM 0 H GLY A 30 -14.789 4.507 9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.681 5.057 11.725 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.157 4.186 11.359 1.00 0.00 H new ATOM 417 N TYR A 31 -15.350 1.855 11.243 1.00 0.00 N ATOM 418 CA TYR A 31 -14.834 0.624 11.817 1.00 0.00 C ATOM 419 C TYR A 31 -13.365 0.786 12.171 1.00 0.00 C ATOM 420 O TYR A 31 -12.624 1.489 11.483 1.00 0.00 O ATOM 421 CB TYR A 31 -15.019 -0.545 10.848 1.00 0.00 C ATOM 422 CG TYR A 31 -16.395 -1.172 10.916 1.00 0.00 C ATOM 423 CD1 TYR A 31 -16.877 -1.696 12.109 1.00 0.00 C ATOM 424 CD2 TYR A 31 -17.209 -1.240 9.793 1.00 0.00 C ATOM 425 CE1 TYR A 31 -18.132 -2.268 12.181 1.00 0.00 C ATOM 426 CE2 TYR A 31 -18.467 -1.811 9.857 1.00 0.00 C ATOM 427 CZ TYR A 31 -18.923 -2.322 11.054 1.00 0.00 C ATOM 428 OH TYR A 31 -20.176 -2.886 11.129 1.00 0.00 O ATOM 0 H TYR A 31 -15.550 1.803 10.244 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.395 0.407 12.726 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -14.837 -0.197 9.831 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.270 -1.307 11.063 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -16.260 -1.655 12.995 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -16.854 -0.841 8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -18.492 -2.671 13.116 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -19.089 -1.856 8.975 1.00 0.00 H new ATOM 0 HH TYR A 31 -20.606 -2.845 10.249 1.00 0.00 H new ATOM 438 N HIS A 32 -12.954 0.144 13.253 1.00 0.00 N ATOM 439 CA HIS A 32 -11.576 0.223 13.704 1.00 0.00 C ATOM 440 C HIS A 32 -10.673 -0.606 12.804 1.00 0.00 C ATOM 441 O HIS A 32 -11.003 -1.741 12.455 1.00 0.00 O ATOM 442 CB HIS A 32 -11.460 -0.237 15.158 1.00 0.00 C ATOM 443 CG HIS A 32 -11.324 0.899 16.126 1.00 0.00 C ATOM 444 ND1 HIS A 32 -12.369 1.737 16.463 1.00 0.00 N ATOM 445 CD2 HIS A 32 -10.252 1.345 16.821 1.00 0.00 C ATOM 446 CE1 HIS A 32 -11.941 2.647 17.318 1.00 0.00 C ATOM 447 NE2 HIS A 32 -10.661 2.432 17.552 1.00 0.00 N ATOM 0 H HIS A 32 -13.557 -0.438 13.835 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.253 1.263 13.648 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.341 -0.824 15.418 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.597 -0.896 15.257 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.258 0.923 16.804 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -12.538 3.435 17.753 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -10.071 2.984 18.175 1.00 0.00 H new ATOM 456 N PRO A 33 -9.520 -0.040 12.417 1.00 0.00 N ATOM 457 CA PRO A 33 -8.554 -0.703 11.541 1.00 0.00 C ATOM 458 C PRO A 33 -8.208 -2.119 11.992 1.00 0.00 C ATOM 459 O PRO A 33 -8.242 -3.052 11.192 1.00 0.00 O ATOM 460 CB PRO A 33 -7.319 0.197 11.628 1.00 0.00 C ATOM 461 CG PRO A 33 -7.858 1.544 11.954 1.00 0.00 C ATOM 462 CD PRO A 33 -9.072 1.308 12.808 1.00 0.00 C ATOM 0 HA PRO A 33 -8.950 -0.823 10.533 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.629 -0.150 12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.769 0.207 10.687 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.118 2.143 12.485 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.119 2.090 11.047 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.830 1.357 13.870 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.843 2.055 12.622 1.00 0.00 H new ATOM 470 N GLU A 34 -7.913 -2.279 13.280 1.00 0.00 N ATOM 471 CA GLU A 34 -7.539 -3.583 13.825 1.00 0.00 C ATOM 472 C GLU A 34 -8.712 -4.561 13.843 1.00 0.00 C ATOM 473 O GLU A 34 -8.512 -5.774 13.788 1.00 0.00 O ATOM 474 CB GLU A 34 -6.962 -3.441 15.237 1.00 0.00 C ATOM 475 CG GLU A 34 -7.892 -2.747 16.218 1.00 0.00 C ATOM 476 CD GLU A 34 -7.627 -1.262 16.318 1.00 0.00 C ATOM 477 OE1 GLU A 34 -8.058 -0.513 15.417 1.00 0.00 O ATOM 478 OE2 GLU A 34 -6.976 -0.839 17.295 1.00 0.00 O ATOM 0 H GLU A 34 -7.925 -1.524 13.965 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.775 -3.990 13.163 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.720 -4.432 15.621 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.027 -2.883 15.182 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.925 -2.908 15.910 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.779 -3.200 17.203 1.00 0.00 H new ATOM 485 N GLU A 35 -9.930 -4.041 13.906 1.00 0.00 N ATOM 486 CA GLU A 35 -11.112 -4.894 13.937 1.00 0.00 C ATOM 487 C GLU A 35 -11.299 -5.603 12.604 1.00 0.00 C ATOM 488 O GLU A 35 -11.672 -6.776 12.558 1.00 0.00 O ATOM 489 CB GLU A 35 -12.360 -4.077 14.274 1.00 0.00 C ATOM 490 CG GLU A 35 -13.516 -4.925 14.777 1.00 0.00 C ATOM 491 CD GLU A 35 -14.721 -4.875 13.865 1.00 0.00 C ATOM 492 OE1 GLU A 35 -15.576 -3.985 14.059 1.00 0.00 O ATOM 493 OE2 GLU A 35 -14.834 -5.738 12.968 1.00 0.00 O ATOM 0 H GLU A 35 -10.126 -3.040 13.936 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.965 -5.644 14.714 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.106 -3.335 15.031 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.679 -3.531 13.386 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.185 -5.959 14.878 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.805 -4.584 15.771 1.00 0.00 H new ATOM 500 N LEU A 36 -11.018 -4.894 11.522 1.00 0.00 N ATOM 501 CA LEU A 36 -11.162 -5.447 10.181 1.00 0.00 C ATOM 502 C LEU A 36 -9.961 -6.317 9.806 1.00 0.00 C ATOM 503 O LEU A 36 -10.016 -7.082 8.843 1.00 0.00 O ATOM 504 CB LEU A 36 -11.326 -4.311 9.166 1.00 0.00 C ATOM 505 CG LEU A 36 -12.771 -3.952 8.798 1.00 0.00 C ATOM 506 CD1 LEU A 36 -13.630 -3.777 10.042 1.00 0.00 C ATOM 507 CD2 LEU A 36 -12.804 -2.685 7.958 1.00 0.00 C ATOM 0 H LEU A 36 -10.687 -3.929 11.545 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.050 -6.078 10.167 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.840 -3.420 9.564 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.795 -4.584 8.254 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.182 -4.776 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.648 -3.523 9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.638 -4.706 10.612 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.220 -2.977 10.658 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.836 -2.443 7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.367 -1.862 8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.233 -2.840 7.043 1.00 0.00 H new ATOM 519 N LEU A 37 -8.891 -6.213 10.586 1.00 0.00 N ATOM 520 CA LEU A 37 -7.668 -6.969 10.329 1.00 0.00 C ATOM 521 C LEU A 37 -7.859 -8.475 10.510 1.00 0.00 C ATOM 522 O LEU A 37 -7.998 -8.965 11.632 1.00 0.00 O ATOM 523 CB LEU A 37 -6.538 -6.502 11.252 1.00 0.00 C ATOM 524 CG LEU A 37 -6.045 -5.073 11.025 1.00 0.00 C ATOM 525 CD1 LEU A 37 -4.808 -4.797 11.863 1.00 0.00 C ATOM 526 CD2 LEU A 37 -5.752 -4.835 9.556 1.00 0.00 C ATOM 0 H LEU A 37 -8.845 -5.609 11.407 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.407 -6.780 9.288 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.877 -6.590 12.284 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.694 -7.181 11.135 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.833 -4.387 11.334 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.471 -3.775 11.689 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.048 -4.925 12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.017 -5.493 11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.402 -3.812 9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.983 -5.531 9.221 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.660 -4.991 8.974 1.00 0.00 H new ATOM 538 N GLY A 38 -7.880 -9.198 9.398 1.00 0.00 N ATOM 539 CA GLY A 38 -7.999 -10.644 9.452 1.00 0.00 C ATOM 540 C GLY A 38 -9.421 -11.157 9.380 1.00 0.00 C ATOM 541 O GLY A 38 -9.644 -12.367 9.440 1.00 0.00 O ATOM 0 H GLY A 38 -7.817 -8.809 8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.428 -11.074 8.629 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.544 -11.000 10.376 1.00 0.00 H new ATOM 545 N ARG A 39 -10.390 -10.265 9.255 1.00 0.00 N ATOM 546 CA ARG A 39 -11.780 -10.693 9.181 1.00 0.00 C ATOM 547 C ARG A 39 -12.294 -10.595 7.748 1.00 0.00 C ATOM 548 O ARG A 39 -11.739 -9.856 6.932 1.00 0.00 O ATOM 549 CB ARG A 39 -12.662 -9.874 10.130 1.00 0.00 C ATOM 550 CG ARG A 39 -12.954 -8.460 9.652 1.00 0.00 C ATOM 551 CD ARG A 39 -14.093 -7.834 10.443 1.00 0.00 C ATOM 552 NE ARG A 39 -15.343 -8.573 10.270 1.00 0.00 N ATOM 553 CZ ARG A 39 -16.542 -8.114 10.619 1.00 0.00 C ATOM 554 NH1 ARG A 39 -16.662 -6.950 11.250 1.00 0.00 N ATOM 555 NH2 ARG A 39 -17.621 -8.845 10.368 1.00 0.00 N ATOM 0 H ARG A 39 -10.246 -9.257 9.203 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.829 -11.735 9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.607 -10.399 10.272 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.176 -9.822 11.104 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.058 -7.847 9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.210 -8.477 8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.830 -7.807 11.500 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -14.234 -6.802 10.123 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.292 -9.503 9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.831 -6.401 11.470 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -17.585 -6.606 11.514 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.528 -9.752 9.911 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -18.544 -8.500 10.633 1.00 0.00 H new ATOM 569 N SER A 40 -13.340 -11.360 7.450 1.00 0.00 N ATOM 570 CA SER A 40 -13.942 -11.366 6.121 1.00 0.00 C ATOM 571 C SER A 40 -14.450 -9.975 5.757 1.00 0.00 C ATOM 572 O SER A 40 -15.220 -9.367 6.503 1.00 0.00 O ATOM 573 CB SER A 40 -15.087 -12.377 6.074 1.00 0.00 C ATOM 574 OG SER A 40 -14.720 -13.578 6.733 1.00 0.00 O ATOM 0 H SER A 40 -13.791 -11.988 8.116 1.00 0.00 H new ATOM 0 HA SER A 40 -13.183 -11.655 5.394 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.973 -11.953 6.546 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.349 -12.590 5.038 1.00 0.00 H new ATOM 0 HG SER A 40 -15.465 -14.213 6.695 1.00 0.00 H new ATOM 580 N ALA A 41 -14.023 -9.480 4.608 1.00 0.00 N ATOM 581 CA ALA A 41 -14.415 -8.156 4.155 1.00 0.00 C ATOM 582 C ALA A 41 -15.754 -8.193 3.437 1.00 0.00 C ATOM 583 O ALA A 41 -16.466 -7.193 3.384 1.00 0.00 O ATOM 584 CB ALA A 41 -13.345 -7.583 3.244 1.00 0.00 C ATOM 0 H ALA A 41 -13.402 -9.977 3.969 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.523 -7.515 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.646 -6.591 2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.403 -7.512 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.216 -8.234 2.380 1.00 0.00 H new ATOM 590 N TYR A 42 -16.108 -9.362 2.914 1.00 0.00 N ATOM 591 CA TYR A 42 -17.360 -9.529 2.182 1.00 0.00 C ATOM 592 C TYR A 42 -18.582 -9.404 3.091 1.00 0.00 C ATOM 593 O TYR A 42 -19.715 -9.354 2.611 1.00 0.00 O ATOM 594 CB TYR A 42 -17.372 -10.865 1.441 1.00 0.00 C ATOM 595 CG TYR A 42 -16.695 -10.792 0.089 1.00 0.00 C ATOM 596 CD1 TYR A 42 -17.347 -10.234 -1.005 1.00 0.00 C ATOM 597 CD2 TYR A 42 -15.403 -11.266 -0.090 1.00 0.00 C ATOM 598 CE1 TYR A 42 -16.730 -10.153 -2.240 1.00 0.00 C ATOM 599 CE2 TYR A 42 -14.778 -11.187 -1.321 1.00 0.00 C ATOM 600 CZ TYR A 42 -15.446 -10.631 -2.392 1.00 0.00 C ATOM 601 OH TYR A 42 -14.824 -10.553 -3.621 1.00 0.00 O ATOM 0 H TYR A 42 -15.545 -10.210 2.983 1.00 0.00 H new ATOM 0 HA TYR A 42 -17.420 -8.720 1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.874 -11.618 2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -18.403 -11.193 1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -18.352 -9.857 -0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -14.877 -11.704 0.746 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -17.251 -9.718 -3.080 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.771 -11.559 -1.443 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.923 -10.933 -3.556 1.00 0.00 H new ATOM 611 N GLU A 43 -18.346 -9.340 4.397 1.00 0.00 N ATOM 612 CA GLU A 43 -19.425 -9.200 5.367 1.00 0.00 C ATOM 613 C GLU A 43 -20.008 -7.791 5.304 1.00 0.00 C ATOM 614 O GLU A 43 -21.169 -7.565 5.645 1.00 0.00 O ATOM 615 CB GLU A 43 -18.905 -9.475 6.779 1.00 0.00 C ATOM 616 CG GLU A 43 -18.331 -10.868 6.963 1.00 0.00 C ATOM 617 CD GLU A 43 -19.393 -11.944 6.919 1.00 0.00 C ATOM 618 OE1 GLU A 43 -20.130 -12.096 7.915 1.00 0.00 O ATOM 619 OE2 GLU A 43 -19.491 -12.650 5.896 1.00 0.00 O ATOM 0 H GLU A 43 -17.414 -9.383 4.809 1.00 0.00 H new ATOM 0 HA GLU A 43 -20.204 -9.923 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -18.137 -8.741 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -19.719 -9.331 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -17.593 -11.059 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -17.807 -10.918 7.918 1.00 0.00 H new ATOM 626 N PHE A 44 -19.183 -6.848 4.872 1.00 0.00 N ATOM 627 CA PHE A 44 -19.589 -5.456 4.756 1.00 0.00 C ATOM 628 C PHE A 44 -19.127 -4.885 3.421 1.00 0.00 C ATOM 629 O PHE A 44 -19.039 -3.669 3.241 1.00 0.00 O ATOM 630 CB PHE A 44 -19.003 -4.639 5.912 1.00 0.00 C ATOM 631 CG PHE A 44 -17.594 -5.025 6.271 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.522 -4.573 5.520 1.00 0.00 C ATOM 633 CD2 PHE A 44 -17.343 -5.846 7.359 1.00 0.00 C ATOM 634 CE1 PHE A 44 -15.229 -4.932 5.845 1.00 0.00 C ATOM 635 CE2 PHE A 44 -16.052 -6.207 7.689 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.994 -5.749 6.931 1.00 0.00 C ATOM 0 H PHE A 44 -18.218 -7.026 4.593 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.677 -5.401 4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -19.024 -3.582 5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -19.638 -4.760 6.789 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.700 -3.932 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -18.167 -6.208 7.956 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.403 -4.573 5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.870 -6.847 8.540 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.983 -6.030 7.188 1.00 0.00 H new ATOM 646 N TYR A 45 -18.851 -5.775 2.476 1.00 0.00 N ATOM 647 CA TYR A 45 -18.382 -5.373 1.157 1.00 0.00 C ATOM 648 C TYR A 45 -19.533 -4.894 0.285 1.00 0.00 C ATOM 649 O TYR A 45 -19.709 -5.375 -0.833 1.00 0.00 O ATOM 650 CB TYR A 45 -17.651 -6.526 0.467 1.00 0.00 C ATOM 651 CG TYR A 45 -16.162 -6.294 0.296 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.573 -5.094 0.681 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.347 -7.276 -0.254 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.216 -4.882 0.522 1.00 0.00 C ATOM 655 CE2 TYR A 45 -13.991 -7.071 -0.416 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.430 -5.874 -0.027 1.00 0.00 C ATOM 657 OH TYR A 45 -12.080 -5.669 -0.192 1.00 0.00 O ATOM 0 H TYR A 45 -18.944 -6.783 2.600 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.686 -4.545 1.294 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.803 -7.437 1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.098 -6.692 -0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.186 -4.315 1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.782 -8.216 -0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.774 -3.945 0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.373 -7.845 -0.846 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.589 -6.460 0.114 1.00 0.00 H new ATOM 667 N HIS A 46 -20.289 -3.925 0.806 1.00 0.00 N ATOM 668 CA HIS A 46 -21.430 -3.323 0.106 1.00 0.00 C ATOM 669 C HIS A 46 -22.474 -4.378 -0.243 1.00 0.00 C ATOM 670 O HIS A 46 -22.326 -5.105 -1.218 1.00 0.00 O ATOM 671 CB HIS A 46 -21.007 -2.581 -1.181 1.00 0.00 C ATOM 672 CG HIS A 46 -19.541 -2.275 -1.307 1.00 0.00 C ATOM 673 ND1 HIS A 46 -18.782 -2.663 -2.393 1.00 0.00 N ATOM 674 CD2 HIS A 46 -18.691 -1.636 -0.471 1.00 0.00 C ATOM 675 CE1 HIS A 46 -17.536 -2.276 -2.215 1.00 0.00 C ATOM 676 NE2 HIS A 46 -17.453 -1.655 -1.056 1.00 0.00 N ATOM 0 H HIS A 46 -20.127 -3.532 1.733 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.860 -2.594 0.792 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.309 -3.181 -2.040 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.561 -1.644 -1.236 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -18.942 -1.193 0.481 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -16.720 -2.440 -2.903 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.604 -1.253 -0.659 1.00 0.00 H new ATOM 685 N ALA A 47 -23.536 -4.444 0.548 1.00 0.00 N ATOM 686 CA ALA A 47 -24.607 -5.417 0.328 1.00 0.00 C ATOM 687 C ALA A 47 -25.147 -5.373 -1.104 1.00 0.00 C ATOM 688 O ALA A 47 -25.459 -6.411 -1.686 1.00 0.00 O ATOM 689 CB ALA A 47 -25.739 -5.195 1.319 1.00 0.00 C ATOM 0 H ALA A 47 -23.683 -3.834 1.352 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.177 -6.406 0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.527 -5.927 1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.361 -5.308 2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.142 -4.190 1.192 1.00 0.00 H new ATOM 695 N LEU A 48 -25.239 -4.179 -1.677 1.00 0.00 N ATOM 696 CA LEU A 48 -25.754 -4.033 -3.036 1.00 0.00 C ATOM 697 C LEU A 48 -24.624 -3.983 -4.067 1.00 0.00 C ATOM 698 O LEU A 48 -24.877 -3.912 -5.270 1.00 0.00 O ATOM 699 CB LEU A 48 -26.625 -2.775 -3.148 1.00 0.00 C ATOM 700 CG LEU A 48 -25.867 -1.458 -3.338 1.00 0.00 C ATOM 701 CD1 LEU A 48 -26.721 -0.466 -4.111 1.00 0.00 C ATOM 702 CD2 LEU A 48 -25.460 -0.870 -1.997 1.00 0.00 C ATOM 0 H LEU A 48 -24.967 -3.304 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.364 -4.911 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.310 -2.903 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -27.234 -2.696 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 48 -24.962 -1.664 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -26.170 0.466 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -26.965 -0.881 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -27.641 -0.271 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -24.923 0.065 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -26.351 -0.679 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -24.814 -1.574 -1.472 1.00 0.00 H new ATOM 714 N ASP A 49 -23.382 -4.045 -3.600 1.00 0.00 N ATOM 715 CA ASP A 49 -22.225 -3.999 -4.494 1.00 0.00 C ATOM 716 C ASP A 49 -21.263 -5.145 -4.196 1.00 0.00 C ATOM 717 O ASP A 49 -20.052 -5.017 -4.389 1.00 0.00 O ATOM 718 CB ASP A 49 -21.476 -2.666 -4.361 1.00 0.00 C ATOM 719 CG ASP A 49 -22.099 -1.533 -5.147 1.00 0.00 C ATOM 720 OD1 ASP A 49 -22.199 -1.647 -6.387 1.00 0.00 O ATOM 721 OD2 ASP A 49 -22.465 -0.511 -4.529 1.00 0.00 O ATOM 0 H ASP A 49 -23.148 -4.127 -2.611 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.599 -4.097 -5.513 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.436 -2.386 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -20.447 -2.804 -4.694 1.00 0.00 H new ATOM 726 N SER A 50 -21.798 -6.265 -3.728 1.00 0.00 N ATOM 727 CA SER A 50 -20.974 -7.420 -3.406 1.00 0.00 C ATOM 728 C SER A 50 -20.588 -8.162 -4.679 1.00 0.00 C ATOM 729 O SER A 50 -19.481 -8.689 -4.795 1.00 0.00 O ATOM 730 CB SER A 50 -21.712 -8.359 -2.449 1.00 0.00 C ATOM 731 OG SER A 50 -21.932 -7.741 -1.190 1.00 0.00 O ATOM 0 H SER A 50 -22.796 -6.397 -3.564 1.00 0.00 H new ATOM 0 HA SER A 50 -20.067 -7.070 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.667 -8.650 -2.886 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.132 -9.272 -2.312 1.00 0.00 H new ATOM 0 HG SER A 50 -22.340 -6.860 -1.325 1.00 0.00 H new ATOM 737 N GLU A 51 -21.505 -8.170 -5.638 1.00 0.00 N ATOM 738 CA GLU A 51 -21.286 -8.834 -6.914 1.00 0.00 C ATOM 739 C GLU A 51 -20.154 -8.147 -7.670 1.00 0.00 C ATOM 740 O GLU A 51 -19.291 -8.803 -8.260 1.00 0.00 O ATOM 741 CB GLU A 51 -22.582 -8.813 -7.728 1.00 0.00 C ATOM 742 CG GLU A 51 -22.560 -9.695 -8.962 1.00 0.00 C ATOM 743 CD GLU A 51 -22.161 -8.947 -10.214 1.00 0.00 C ATOM 744 OE1 GLU A 51 -22.527 -7.759 -10.349 1.00 0.00 O ATOM 745 OE2 GLU A 51 -21.487 -9.548 -11.077 1.00 0.00 O ATOM 0 H GLU A 51 -22.416 -7.719 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.999 -9.872 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.405 -9.127 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.789 -7.787 -8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.865 -10.519 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -23.547 -10.134 -9.106 1.00 0.00 H new ATOM 752 N ASN A 52 -20.163 -6.818 -7.636 1.00 0.00 N ATOM 753 CA ASN A 52 -19.132 -6.024 -8.294 1.00 0.00 C ATOM 754 C ASN A 52 -17.765 -6.333 -7.698 1.00 0.00 C ATOM 755 O ASN A 52 -16.763 -6.382 -8.411 1.00 0.00 O ATOM 756 CB ASN A 52 -19.420 -4.527 -8.155 1.00 0.00 C ATOM 757 CG ASN A 52 -20.275 -3.972 -9.281 1.00 0.00 C ATOM 758 OD1 ASN A 52 -20.094 -2.825 -9.704 1.00 0.00 O ATOM 759 ND2 ASN A 52 -21.219 -4.764 -9.766 1.00 0.00 N ATOM 0 H ASN A 52 -20.876 -6.267 -7.158 1.00 0.00 H new ATOM 0 HA ASN A 52 -19.135 -6.285 -9.352 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.922 -4.348 -7.204 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.475 -3.984 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.827 -4.433 -10.515 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -21.338 -5.705 -9.391 1.00 0.00 H new ATOM 766 N MET A 53 -17.735 -6.557 -6.388 1.00 0.00 N ATOM 767 CA MET A 53 -16.489 -6.863 -5.696 1.00 0.00 C ATOM 768 C MET A 53 -15.948 -8.216 -6.130 1.00 0.00 C ATOM 769 O MET A 53 -14.749 -8.365 -6.349 1.00 0.00 O ATOM 770 CB MET A 53 -16.683 -6.839 -4.179 1.00 0.00 C ATOM 771 CG MET A 53 -16.952 -5.453 -3.623 1.00 0.00 C ATOM 772 SD MET A 53 -15.794 -4.212 -4.242 1.00 0.00 S ATOM 773 CE MET A 53 -14.274 -4.705 -3.427 1.00 0.00 C ATOM 0 H MET A 53 -18.558 -6.532 -5.786 1.00 0.00 H new ATOM 0 HA MET A 53 -15.765 -6.094 -5.964 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.514 -7.494 -3.917 1.00 0.00 H new ATOM 0 HB3 MET A 53 -15.792 -7.247 -3.701 1.00 0.00 H new ATOM 0 HG2 MET A 53 -17.968 -5.155 -3.880 1.00 0.00 H new ATOM 0 HG3 MET A 53 -16.895 -5.486 -2.535 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.925 -3.895 -2.786 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.457 -5.593 -2.822 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.515 -4.927 -4.177 1.00 0.00 H new ATOM 783 N THR A 54 -16.833 -9.200 -6.251 1.00 0.00 N ATOM 784 CA THR A 54 -16.434 -10.534 -6.677 1.00 0.00 C ATOM 785 C THR A 54 -15.853 -10.488 -8.088 1.00 0.00 C ATOM 786 O THR A 54 -14.813 -11.089 -8.364 1.00 0.00 O ATOM 787 CB THR A 54 -17.623 -11.513 -6.642 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.286 -11.425 -5.376 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.158 -12.944 -6.873 1.00 0.00 C ATOM 0 H THR A 54 -17.830 -9.098 -6.060 1.00 0.00 H new ATOM 0 HA THR A 54 -15.674 -10.889 -5.981 1.00 0.00 H new ATOM 0 HB THR A 54 -18.313 -11.240 -7.440 1.00 0.00 H new ATOM 0 HG1 THR A 54 -18.778 -10.579 -5.322 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.017 -13.615 -6.843 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.674 -13.017 -7.847 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.450 -13.227 -6.094 1.00 0.00 H new ATOM 797 N LYS A 55 -16.522 -9.752 -8.971 1.00 0.00 N ATOM 798 CA LYS A 55 -16.070 -9.613 -10.349 1.00 0.00 C ATOM 799 C LYS A 55 -14.700 -8.947 -10.392 1.00 0.00 C ATOM 800 O LYS A 55 -13.784 -9.426 -11.065 1.00 0.00 O ATOM 801 CB LYS A 55 -17.074 -8.789 -11.155 1.00 0.00 C ATOM 802 CG LYS A 55 -16.915 -8.930 -12.661 1.00 0.00 C ATOM 803 CD LYS A 55 -17.377 -10.294 -13.151 1.00 0.00 C ATOM 804 CE LYS A 55 -18.802 -10.601 -12.713 1.00 0.00 C ATOM 805 NZ LYS A 55 -19.763 -9.541 -13.125 1.00 0.00 N ATOM 0 H LYS A 55 -17.379 -9.243 -8.755 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.993 -10.607 -10.790 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.084 -9.090 -10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.968 -7.738 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.489 -8.150 -13.162 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.870 -8.781 -12.932 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.316 -10.329 -14.239 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.706 -11.063 -12.769 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.113 -11.555 -13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.830 -10.712 -11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.277 -9.195 -12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -19.244 -8.753 -13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.440 -9.933 -13.810 1.00 0.00 H new ATOM 819 N SER A 56 -14.567 -7.850 -9.658 1.00 0.00 N ATOM 820 CA SER A 56 -13.312 -7.118 -9.598 1.00 0.00 C ATOM 821 C SER A 56 -12.214 -7.993 -8.997 1.00 0.00 C ATOM 822 O SER A 56 -11.078 -7.975 -9.458 1.00 0.00 O ATOM 823 CB SER A 56 -13.486 -5.839 -8.776 1.00 0.00 C ATOM 824 OG SER A 56 -14.564 -5.059 -9.268 1.00 0.00 O ATOM 0 H SER A 56 -15.316 -7.448 -9.095 1.00 0.00 H new ATOM 0 HA SER A 56 -13.018 -6.844 -10.611 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.665 -6.096 -7.732 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.566 -5.255 -8.807 1.00 0.00 H new ATOM 0 HG SER A 56 -15.409 -5.415 -8.923 1.00 0.00 H new ATOM 830 N HIS A 57 -12.574 -8.772 -7.980 1.00 0.00 N ATOM 831 CA HIS A 57 -11.636 -9.672 -7.312 1.00 0.00 C ATOM 832 C HIS A 57 -11.121 -10.722 -8.294 1.00 0.00 C ATOM 833 O HIS A 57 -9.915 -10.953 -8.397 1.00 0.00 O ATOM 834 CB HIS A 57 -12.326 -10.344 -6.116 1.00 0.00 C ATOM 835 CG HIS A 57 -11.467 -11.309 -5.350 1.00 0.00 C ATOM 836 ND1 HIS A 57 -11.973 -12.440 -4.757 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.141 -11.303 -5.073 1.00 0.00 C ATOM 838 CE1 HIS A 57 -11.003 -13.087 -4.144 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.878 -12.422 -4.320 1.00 0.00 N ATOM 0 H HIS A 57 -13.519 -8.798 -7.597 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.784 -9.097 -6.949 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.674 -9.569 -5.433 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.209 -10.872 -6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.424 -10.558 -5.386 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.111 -14.008 -3.590 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.964 -12.693 -3.957 1.00 0.00 H new ATOM 848 N GLN A 58 -12.046 -11.337 -9.018 1.00 0.00 N ATOM 849 CA GLN A 58 -11.715 -12.360 -10.002 1.00 0.00 C ATOM 850 C GLN A 58 -10.830 -11.791 -11.109 1.00 0.00 C ATOM 851 O GLN A 58 -9.834 -12.403 -11.497 1.00 0.00 O ATOM 852 CB GLN A 58 -13.004 -12.934 -10.596 1.00 0.00 C ATOM 853 CG GLN A 58 -12.786 -13.823 -11.808 1.00 0.00 C ATOM 854 CD GLN A 58 -14.089 -14.286 -12.421 1.00 0.00 C ATOM 855 OE1 GLN A 58 -14.623 -15.332 -12.058 1.00 0.00 O ATOM 856 NE2 GLN A 58 -14.607 -13.513 -13.359 1.00 0.00 N ATOM 0 H GLN A 58 -13.044 -11.142 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 58 -11.159 -13.155 -9.505 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.522 -13.507 -9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -13.660 -12.110 -10.876 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -12.208 -13.279 -12.555 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -12.195 -14.691 -11.517 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.131 -12.653 -13.631 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.482 -13.777 -13.811 1.00 0.00 H new ATOM 865 N ASN A 59 -11.196 -10.617 -11.602 1.00 0.00 N ATOM 866 CA ASN A 59 -10.450 -9.959 -12.670 1.00 0.00 C ATOM 867 C ASN A 59 -9.074 -9.507 -12.185 1.00 0.00 C ATOM 868 O ASN A 59 -8.068 -9.723 -12.858 1.00 0.00 O ATOM 869 CB ASN A 59 -11.242 -8.756 -13.195 1.00 0.00 C ATOM 870 CG ASN A 59 -10.618 -8.130 -14.429 1.00 0.00 C ATOM 871 OD1 ASN A 59 -9.957 -8.806 -15.219 1.00 0.00 O ATOM 872 ND2 ASN A 59 -10.837 -6.836 -14.605 1.00 0.00 N ATOM 0 H ASN A 59 -12.011 -10.096 -11.278 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.305 -10.678 -13.477 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.259 -9.071 -13.429 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.314 -8.004 -12.409 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.452 -6.360 -15.421 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.391 -6.315 -13.925 1.00 0.00 H new ATOM 879 N LEU A 60 -9.045 -8.914 -10.998 1.00 0.00 N ATOM 880 CA LEU A 60 -7.816 -8.398 -10.400 1.00 0.00 C ATOM 881 C LEU A 60 -6.735 -9.471 -10.273 1.00 0.00 C ATOM 882 O LEU A 60 -5.548 -9.182 -10.444 1.00 0.00 O ATOM 883 CB LEU A 60 -8.124 -7.801 -9.025 1.00 0.00 C ATOM 884 CG LEU A 60 -7.014 -6.951 -8.408 1.00 0.00 C ATOM 885 CD1 LEU A 60 -6.470 -5.962 -9.423 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.536 -6.220 -7.181 1.00 0.00 C ATOM 0 H LEU A 60 -9.874 -8.776 -10.420 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.427 -7.626 -11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.022 -7.189 -9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.356 -8.616 -8.339 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.200 -7.610 -8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.681 -5.367 -8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.065 -6.504 -10.278 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.273 -5.305 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.737 -5.617 -6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.364 -5.572 -7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.881 -6.946 -6.445 1.00 0.00 H new ATOM 898 N CYS A 61 -7.146 -10.704 -9.993 1.00 0.00 N ATOM 899 CA CYS A 61 -6.207 -11.814 -9.833 1.00 0.00 C ATOM 900 C CYS A 61 -5.307 -11.975 -11.057 1.00 0.00 C ATOM 901 O CYS A 61 -4.127 -12.305 -10.930 1.00 0.00 O ATOM 902 CB CYS A 61 -6.962 -13.117 -9.566 1.00 0.00 C ATOM 903 SG CYS A 61 -7.923 -13.107 -8.036 1.00 0.00 S ATOM 0 H CYS A 61 -8.125 -10.962 -9.872 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.572 -11.583 -8.978 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.632 -13.315 -10.403 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.247 -13.939 -9.529 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.606 -12.004 -7.960 1.00 0.00 H new ATOM 909 N THR A 62 -5.856 -11.721 -12.236 1.00 0.00 N ATOM 910 CA THR A 62 -5.097 -11.852 -13.470 1.00 0.00 C ATOM 911 C THR A 62 -4.928 -10.499 -14.158 1.00 0.00 C ATOM 912 O THR A 62 -4.667 -10.425 -15.357 1.00 0.00 O ATOM 913 CB THR A 62 -5.787 -12.839 -14.430 1.00 0.00 C ATOM 914 OG1 THR A 62 -6.869 -13.499 -13.752 1.00 0.00 O ATOM 915 CG2 THR A 62 -4.797 -13.878 -14.934 1.00 0.00 C ATOM 0 H THR A 62 -6.823 -11.423 -12.364 1.00 0.00 H new ATOM 0 HA THR A 62 -4.111 -12.237 -13.211 1.00 0.00 H new ATOM 0 HB THR A 62 -6.173 -12.280 -15.282 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.307 -14.125 -14.366 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.304 -14.566 -15.611 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.985 -13.380 -15.464 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.391 -14.434 -14.089 1.00 0.00 H new ATOM 923 N LYS A 63 -5.074 -9.427 -13.395 1.00 0.00 N ATOM 924 CA LYS A 63 -4.936 -8.087 -13.942 1.00 0.00 C ATOM 925 C LYS A 63 -3.849 -7.313 -13.218 1.00 0.00 C ATOM 926 O LYS A 63 -3.074 -6.584 -13.840 1.00 0.00 O ATOM 927 CB LYS A 63 -6.260 -7.324 -13.851 1.00 0.00 C ATOM 928 CG LYS A 63 -7.060 -7.343 -15.140 1.00 0.00 C ATOM 929 CD LYS A 63 -6.283 -6.712 -16.280 1.00 0.00 C ATOM 930 CE LYS A 63 -7.026 -6.839 -17.594 1.00 0.00 C ATOM 931 NZ LYS A 63 -6.265 -6.233 -18.714 1.00 0.00 N ATOM 0 H LYS A 63 -5.287 -9.459 -12.398 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.656 -8.187 -14.991 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.864 -7.754 -13.052 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.056 -6.290 -13.575 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.316 -8.371 -15.397 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.998 -6.807 -14.996 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.105 -5.659 -16.062 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.307 -7.190 -16.365 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.211 -7.892 -17.807 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.999 -6.355 -17.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.804 -6.339 -19.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.110 -5.223 -18.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.347 -6.712 -18.809 1.00 0.00 H new ATOM 945 N GLY A 64 -3.795 -7.462 -11.903 1.00 0.00 N ATOM 946 CA GLY A 64 -2.803 -6.753 -11.125 1.00 0.00 C ATOM 947 C GLY A 64 -3.260 -5.352 -10.780 1.00 0.00 C ATOM 948 O GLY A 64 -3.273 -4.966 -9.617 1.00 0.00 O ATOM 0 H GLY A 64 -4.420 -8.060 -11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.597 -7.305 -10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.869 -6.704 -11.684 1.00 0.00 H new ATOM 952 N GLN A 65 -3.657 -4.594 -11.793 1.00 0.00 N ATOM 953 CA GLN A 65 -4.118 -3.231 -11.588 1.00 0.00 C ATOM 954 C GLN A 65 -5.481 -3.011 -12.242 1.00 0.00 C ATOM 955 O GLN A 65 -5.604 -3.028 -13.469 1.00 0.00 O ATOM 956 CB GLN A 65 -3.095 -2.241 -12.146 1.00 0.00 C ATOM 957 CG GLN A 65 -3.288 -0.818 -11.652 1.00 0.00 C ATOM 958 CD GLN A 65 -2.200 0.114 -12.144 1.00 0.00 C ATOM 959 OE1 GLN A 65 -1.652 -0.068 -13.231 1.00 0.00 O ATOM 960 NE2 GLN A 65 -1.874 1.118 -11.347 1.00 0.00 N ATOM 0 H GLN A 65 -3.668 -4.902 -12.765 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.226 -3.063 -10.516 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.094 -2.577 -11.876 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.152 -2.249 -13.234 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.258 -0.449 -11.985 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.302 -0.813 -10.562 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.351 1.235 -10.453 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.145 1.775 -11.626 1.00 0.00 H new ATOM 969 N VAL A 66 -6.498 -2.814 -11.415 1.00 0.00 N ATOM 970 CA VAL A 66 -7.855 -2.581 -11.896 1.00 0.00 C ATOM 971 C VAL A 66 -8.425 -1.322 -11.242 1.00 0.00 C ATOM 972 O VAL A 66 -8.049 -0.975 -10.121 1.00 0.00 O ATOM 973 CB VAL A 66 -8.777 -3.796 -11.614 1.00 0.00 C ATOM 974 CG1 VAL A 66 -9.216 -3.841 -10.156 1.00 0.00 C ATOM 975 CG2 VAL A 66 -9.986 -3.789 -12.538 1.00 0.00 C ATOM 0 H VAL A 66 -6.409 -2.811 -10.399 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.813 -2.443 -12.976 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.197 -4.697 -11.814 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.861 -4.705 -9.997 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.339 -3.919 -9.514 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.764 -2.930 -9.913 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.616 -4.651 -12.319 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.557 -2.874 -12.383 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.652 -3.837 -13.574 1.00 0.00 H new ATOM 985 N VAL A 67 -9.311 -0.628 -11.942 1.00 0.00 N ATOM 986 CA VAL A 67 -9.904 0.590 -11.410 1.00 0.00 C ATOM 987 C VAL A 67 -11.405 0.427 -11.208 1.00 0.00 C ATOM 988 O VAL A 67 -12.164 0.295 -12.170 1.00 0.00 O ATOM 989 CB VAL A 67 -9.644 1.800 -12.334 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.146 3.085 -11.694 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.164 1.915 -12.669 1.00 0.00 C ATOM 0 H VAL A 67 -9.634 -0.886 -12.875 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.429 0.776 -10.447 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.194 1.641 -13.261 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.952 3.924 -12.362 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.218 3.006 -11.512 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.628 3.247 -10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.004 2.774 -13.321 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.592 2.045 -11.750 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.834 1.008 -13.176 1.00 0.00 H new ATOM 1001 N SER A 68 -11.826 0.422 -9.954 1.00 0.00 N ATOM 1002 CA SER A 68 -13.234 0.291 -9.623 1.00 0.00 C ATOM 1003 C SER A 68 -13.864 1.676 -9.487 1.00 0.00 C ATOM 1004 O SER A 68 -13.215 2.622 -9.026 1.00 0.00 O ATOM 1005 CB SER A 68 -13.392 -0.510 -8.330 1.00 0.00 C ATOM 1006 OG SER A 68 -12.620 -1.701 -8.378 1.00 0.00 O ATOM 0 H SER A 68 -11.209 0.508 -9.146 1.00 0.00 H new ATOM 0 HA SER A 68 -13.747 -0.244 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.080 0.097 -7.480 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.442 -0.758 -8.176 1.00 0.00 H new ATOM 0 HG SER A 68 -12.733 -2.198 -7.541 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.119 1.794 -9.900 1.00 0.00 N ATOM 1013 CA GLY A 69 -15.811 3.065 -9.833 1.00 0.00 C ATOM 1014 C GLY A 69 -16.270 3.413 -8.432 1.00 0.00 C ATOM 1015 O GLY A 69 -15.932 2.723 -7.468 1.00 0.00 O ATOM 0 H GLY A 69 -15.672 1.027 -10.282 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.152 3.852 -10.200 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.675 3.038 -10.497 1.00 0.00 H new ATOM 1019 N GLN A 70 -17.037 4.490 -8.323 1.00 0.00 N ATOM 1020 CA GLN A 70 -17.552 4.940 -7.040 1.00 0.00 C ATOM 1021 C GLN A 70 -18.629 3.986 -6.549 1.00 0.00 C ATOM 1022 O GLN A 70 -19.680 3.844 -7.179 1.00 0.00 O ATOM 1023 CB GLN A 70 -18.121 6.358 -7.159 1.00 0.00 C ATOM 1024 CG GLN A 70 -17.252 7.288 -7.988 1.00 0.00 C ATOM 1025 CD GLN A 70 -17.730 8.724 -7.970 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -18.927 8.995 -7.859 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -16.793 9.651 -8.088 1.00 0.00 N ATOM 0 H GLN A 70 -17.317 5.070 -9.114 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.733 4.953 -6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.114 6.307 -7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -18.241 6.779 -6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.229 7.248 -7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.230 6.932 -9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.814 9.378 -8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.050 10.638 -8.090 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.361 3.322 -5.442 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.313 2.385 -4.877 1.00 0.00 C ATOM 1038 C TYR A 71 -19.772 2.851 -3.505 1.00 0.00 C ATOM 1039 O TYR A 71 -19.271 3.846 -2.979 1.00 0.00 O ATOM 1040 CB TYR A 71 -18.710 0.975 -4.799 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.417 0.867 -4.011 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.361 1.219 -2.668 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.257 0.388 -4.609 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.195 1.102 -1.945 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.084 0.260 -3.888 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.060 0.620 -2.556 1.00 0.00 C ATOM 1047 OH TYR A 71 -13.905 0.481 -1.825 1.00 0.00 O ATOM 0 H TYR A 71 -17.492 3.414 -4.916 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.182 2.345 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.446 0.307 -4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.530 0.618 -5.813 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.250 1.592 -2.181 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.272 0.112 -5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.171 1.387 -0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.192 -0.119 -4.364 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.213 1.070 -2.192 1.00 0.00 H new ATOM 1057 N ARG A 72 -20.712 2.126 -2.925 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.235 2.468 -1.615 1.00 0.00 C ATOM 1059 C ARG A 72 -20.649 1.541 -0.556 1.00 0.00 C ATOM 1060 O ARG A 72 -21.074 0.395 -0.424 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.760 2.370 -1.615 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.405 2.874 -2.895 1.00 0.00 C ATOM 1063 CD ARG A 72 -24.918 2.803 -2.818 1.00 0.00 C ATOM 1064 NE ARG A 72 -25.524 2.725 -4.144 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.515 3.508 -4.557 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -26.986 4.473 -3.773 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.029 3.334 -5.769 1.00 0.00 N ATOM 0 H ARG A 72 -21.130 1.294 -3.342 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.949 3.493 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.048 1.331 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.152 2.940 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.097 3.903 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.054 2.280 -3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.212 1.932 -2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.297 3.681 -2.296 1.00 0.00 H new ATOM 0 HE ARG A 72 -25.164 2.026 -4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -26.586 4.617 -2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -27.747 5.069 -4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -26.663 2.602 -6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.790 3.932 -6.091 1.00 0.00 H new ATOM 1081 N MET A 73 -19.658 2.028 0.178 1.00 0.00 N ATOM 1082 CA MET A 73 -19.020 1.234 1.223 1.00 0.00 C ATOM 1083 C MET A 73 -19.854 1.258 2.498 1.00 0.00 C ATOM 1084 O MET A 73 -20.299 2.318 2.933 1.00 0.00 O ATOM 1085 CB MET A 73 -17.607 1.749 1.510 1.00 0.00 C ATOM 1086 CG MET A 73 -16.864 0.921 2.545 1.00 0.00 C ATOM 1087 SD MET A 73 -16.740 -0.816 2.075 1.00 0.00 S ATOM 1088 CE MET A 73 -16.131 -1.533 3.598 1.00 0.00 C ATOM 0 H MET A 73 -19.277 2.968 0.071 1.00 0.00 H new ATOM 0 HA MET A 73 -18.949 0.205 0.869 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.035 1.756 0.582 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.667 2.781 1.856 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.863 1.330 2.683 1.00 0.00 H new ATOM 0 HG3 MET A 73 -17.375 0.999 3.504 1.00 0.00 H new ATOM 0 HE1 MET A 73 -16.069 -2.616 3.491 1.00 0.00 H new ATOM 0 HE2 MET A 73 -15.141 -1.133 3.818 1.00 0.00 H new ATOM 0 HE3 MET A 73 -16.811 -1.287 4.413 1.00 0.00 H new ATOM 1098 N LEU A 74 -20.060 0.088 3.093 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.846 -0.017 4.313 1.00 0.00 C ATOM 1100 C LEU A 74 -20.072 0.529 5.505 1.00 0.00 C ATOM 1101 O LEU A 74 -18.942 0.118 5.771 1.00 0.00 O ATOM 1102 CB LEU A 74 -21.249 -1.472 4.571 1.00 0.00 C ATOM 1103 CG LEU A 74 -22.127 -1.693 5.806 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -23.480 -1.020 5.627 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -22.296 -3.178 6.080 1.00 0.00 C ATOM 0 H LEU A 74 -19.693 -0.799 2.749 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.749 0.580 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.779 -1.847 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.344 -2.070 4.676 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.633 -1.241 6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.090 -1.188 6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.337 0.051 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.983 -1.440 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.923 -3.316 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.767 -3.655 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -21.319 -3.629 6.255 1.00 0.00 H new ATOM 1117 N ALA A 75 -20.684 1.468 6.200 1.00 0.00 N ATOM 1118 CA ALA A 75 -20.079 2.076 7.366 1.00 0.00 C ATOM 1119 C ALA A 75 -20.565 1.399 8.643 1.00 0.00 C ATOM 1120 O ALA A 75 -21.537 0.644 8.624 1.00 0.00 O ATOM 1121 CB ALA A 75 -20.388 3.564 7.397 1.00 0.00 C ATOM 0 H ALA A 75 -21.611 1.829 5.973 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.999 1.944 7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.929 4.013 8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.990 4.037 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -21.467 3.711 7.436 1.00 0.00 H new ATOM 1127 N LYS A 76 -19.900 1.706 9.750 1.00 0.00 N ATOM 1128 CA LYS A 76 -20.231 1.134 11.054 1.00 0.00 C ATOM 1129 C LYS A 76 -21.667 1.467 11.468 1.00 0.00 C ATOM 1130 O LYS A 76 -22.298 0.722 12.214 1.00 0.00 O ATOM 1131 CB LYS A 76 -19.241 1.651 12.105 1.00 0.00 C ATOM 1132 CG LYS A 76 -19.408 1.027 13.482 1.00 0.00 C ATOM 1133 CD LYS A 76 -18.263 1.409 14.407 1.00 0.00 C ATOM 1134 CE LYS A 76 -18.207 2.911 14.648 1.00 0.00 C ATOM 1135 NZ LYS A 76 -16.990 3.306 15.403 1.00 0.00 N ATOM 0 H LYS A 76 -19.116 2.358 9.772 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.155 0.049 10.981 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -18.226 1.463 11.755 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -19.353 2.732 12.193 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -20.353 1.351 13.918 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.455 -0.058 13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.378 0.892 15.360 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.320 1.075 13.975 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.226 3.433 13.691 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.094 3.224 15.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.106 4.274 15.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.848 2.652 16.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.163 3.269 14.773 1.00 0.00 H new ATOM 1149 N HIS A 77 -22.180 2.583 10.966 1.00 0.00 N ATOM 1150 CA HIS A 77 -23.540 3.018 11.291 1.00 0.00 C ATOM 1151 C HIS A 77 -24.521 2.664 10.177 1.00 0.00 C ATOM 1152 O HIS A 77 -25.561 3.304 10.032 1.00 0.00 O ATOM 1153 CB HIS A 77 -23.583 4.530 11.566 1.00 0.00 C ATOM 1154 CG HIS A 77 -22.806 5.357 10.583 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -23.371 5.955 9.478 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -21.489 5.674 10.544 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -22.437 6.599 8.803 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -21.288 6.443 9.429 1.00 0.00 N ATOM 0 H HIS A 77 -21.679 3.206 10.332 1.00 0.00 H new ATOM 0 HA HIS A 77 -23.841 2.487 12.194 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -24.622 4.860 11.560 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -23.195 4.717 12.567 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -20.737 5.375 11.260 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -22.589 7.159 7.892 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -20.393 6.832 9.131 1.00 0.00 H new ATOM 1167 N GLY A 78 -24.181 1.655 9.384 1.00 0.00 N ATOM 1168 CA GLY A 78 -25.055 1.231 8.299 1.00 0.00 C ATOM 1169 C GLY A 78 -25.128 2.245 7.175 1.00 0.00 C ATOM 1170 O GLY A 78 -26.047 2.211 6.349 1.00 0.00 O ATOM 0 H GLY A 78 -23.316 1.121 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.699 0.280 7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.057 1.058 8.692 1.00 0.00 H new ATOM 1174 N GLY A 79 -24.160 3.149 7.143 1.00 0.00 N ATOM 1175 CA GLY A 79 -24.124 4.165 6.115 1.00 0.00 C ATOM 1176 C GLY A 79 -23.400 3.678 4.882 1.00 0.00 C ATOM 1177 O GLY A 79 -22.750 2.637 4.920 1.00 0.00 O ATOM 0 H GLY A 79 -23.395 3.196 7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.141 4.453 5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -23.630 5.057 6.500 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.510 4.417 3.793 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.853 4.035 2.553 1.00 0.00 C ATOM 1183 C TYR A 80 -21.933 5.141 2.050 1.00 0.00 C ATOM 1184 O TYR A 80 -22.384 6.137 1.490 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.887 3.672 1.490 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.451 2.282 1.666 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -23.675 1.164 1.397 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -25.755 2.087 2.099 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -24.180 -0.110 1.552 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -26.268 0.815 2.256 1.00 0.00 C ATOM 1191 CZ TYR A 80 -25.477 -0.278 1.981 1.00 0.00 C ATOM 1192 OH TYR A 80 -25.986 -1.547 2.130 1.00 0.00 O ATOM 0 H TYR A 80 -24.046 5.283 3.740 1.00 0.00 H new ATOM 0 HA TYR A 80 -22.239 3.158 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.702 4.395 1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.429 3.750 0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -22.657 1.294 1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.377 2.943 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -23.562 -0.970 1.338 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.285 0.678 2.593 1.00 0.00 H new ATOM 0 HH TYR A 80 -26.914 -1.493 2.441 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.641 4.949 2.256 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.642 5.919 1.836 1.00 0.00 C ATOM 1204 C VAL A 81 -19.317 5.742 0.357 1.00 0.00 C ATOM 1205 O VAL A 81 -18.880 4.667 -0.062 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.339 5.781 2.654 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -17.486 7.032 2.520 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.644 5.485 4.116 1.00 0.00 C ATOM 0 H VAL A 81 -20.256 4.123 2.715 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.062 6.910 2.008 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.774 4.940 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.573 6.914 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.229 7.187 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.043 7.893 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.710 5.392 4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.237 6.298 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.204 4.553 4.189 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.536 6.788 -0.428 1.00 0.00 N ATOM 1219 CA TRP A 82 -19.263 6.736 -1.858 1.00 0.00 C ATOM 1220 C TRP A 82 -17.798 7.042 -2.141 1.00 0.00 C ATOM 1221 O TRP A 82 -17.368 8.200 -2.094 1.00 0.00 O ATOM 1222 CB TRP A 82 -20.162 7.717 -2.610 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.509 7.154 -2.941 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -22.539 6.917 -2.076 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -21.972 6.759 -4.235 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -23.611 6.394 -2.755 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.288 6.291 -4.082 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -21.401 6.756 -5.510 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.042 5.826 -5.154 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.150 6.295 -6.576 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.460 5.835 -6.392 1.00 0.00 C ATOM 0 H TRP A 82 -19.901 7.682 -0.099 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.477 5.726 -2.207 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -20.290 8.616 -2.007 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -19.666 8.019 -3.532 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.514 7.112 -1.014 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -24.503 6.126 -2.339 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.391 7.108 -5.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.052 5.470 -5.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -21.719 6.289 -7.566 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.021 5.481 -7.244 1.00 0.00 H new ATOM 1242 N LEU A 83 -17.034 5.997 -2.428 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.615 6.141 -2.713 1.00 0.00 C ATOM 1244 C LEU A 83 -15.189 5.200 -3.833 1.00 0.00 C ATOM 1245 O LEU A 83 -15.883 4.227 -4.138 1.00 0.00 O ATOM 1246 CB LEU A 83 -14.786 5.871 -1.450 1.00 0.00 C ATOM 1247 CG LEU A 83 -14.952 4.480 -0.834 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -13.663 3.684 -0.962 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -15.361 4.591 0.625 1.00 0.00 C ATOM 0 H LEU A 83 -17.376 5.037 -2.469 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.436 7.166 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -13.733 6.019 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.049 6.615 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 83 -15.739 3.955 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.799 2.698 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.405 3.576 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -12.859 4.207 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -15.475 3.593 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -14.594 5.134 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.308 5.126 0.698 1.00 0.00 H new ATOM 1261 N GLU A 84 -14.055 5.505 -4.446 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.518 4.691 -5.529 1.00 0.00 C ATOM 1263 C GLU A 84 -12.341 3.876 -5.016 1.00 0.00 C ATOM 1264 O GLU A 84 -11.851 4.122 -3.911 1.00 0.00 O ATOM 1265 CB GLU A 84 -13.066 5.569 -6.695 1.00 0.00 C ATOM 1266 CG GLU A 84 -13.984 6.746 -6.975 1.00 0.00 C ATOM 1267 CD GLU A 84 -13.615 7.471 -8.251 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -12.578 7.128 -8.860 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -14.364 8.380 -8.663 1.00 0.00 O ATOM 0 H GLU A 84 -13.484 6.317 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.303 4.023 -5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.064 5.945 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.996 4.955 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.013 6.393 -7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.942 7.443 -6.138 1.00 0.00 H new ATOM 1276 N THR A 85 -11.879 2.917 -5.805 1.00 0.00 N ATOM 1277 CA THR A 85 -10.764 2.080 -5.390 1.00 0.00 C ATOM 1278 C THR A 85 -9.992 1.511 -6.579 1.00 0.00 C ATOM 1279 O THR A 85 -10.571 0.893 -7.473 1.00 0.00 O ATOM 1280 CB THR A 85 -11.259 0.914 -4.509 1.00 0.00 C ATOM 1281 OG1 THR A 85 -11.937 1.428 -3.356 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.104 0.030 -4.067 1.00 0.00 C ATOM 0 H THR A 85 -12.255 2.701 -6.728 1.00 0.00 H new ATOM 0 HA THR A 85 -10.090 2.720 -4.820 1.00 0.00 H new ATOM 0 HB THR A 85 -11.946 0.311 -5.102 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.413 1.228 -2.552 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.484 -0.783 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.606 -0.384 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.392 0.622 -3.492 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.688 1.746 -6.593 1.00 0.00 N ATOM 1291 CA GLN A 86 -7.824 1.218 -7.636 1.00 0.00 C ATOM 1292 C GLN A 86 -7.011 0.063 -7.063 1.00 0.00 C ATOM 1293 O GLN A 86 -6.051 0.273 -6.319 1.00 0.00 O ATOM 1294 CB GLN A 86 -6.889 2.296 -8.191 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.006 1.805 -9.332 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.043 2.864 -9.834 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.349 3.614 -10.761 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -3.866 2.927 -9.234 1.00 0.00 N ATOM 0 H GLN A 86 -8.204 2.303 -5.889 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.445 0.869 -8.461 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.486 3.139 -8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.255 2.666 -7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.440 0.936 -8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.638 1.476 -10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.649 2.288 -8.469 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.176 3.614 -9.536 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.417 -1.151 -7.392 1.00 0.00 N ATOM 1308 CA GLY A 87 -6.732 -2.324 -6.897 1.00 0.00 C ATOM 1309 C GLY A 87 -5.413 -2.560 -7.598 1.00 0.00 C ATOM 1310 O GLY A 87 -5.386 -2.892 -8.781 1.00 0.00 O ATOM 0 H GLY A 87 -8.214 -1.346 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.557 -2.215 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.371 -3.197 -7.028 1.00 0.00 H new ATOM 1314 N THR A 88 -4.323 -2.368 -6.875 1.00 0.00 N ATOM 1315 CA THR A 88 -2.995 -2.574 -7.425 1.00 0.00 C ATOM 1316 C THR A 88 -2.269 -3.669 -6.644 1.00 0.00 C ATOM 1317 O THR A 88 -1.685 -3.417 -5.594 1.00 0.00 O ATOM 1318 CB THR A 88 -2.175 -1.272 -7.388 1.00 0.00 C ATOM 1319 OG1 THR A 88 -3.030 -0.152 -7.668 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.044 -1.314 -8.403 1.00 0.00 C ATOM 0 H THR A 88 -4.333 -2.068 -5.900 1.00 0.00 H new ATOM 0 HA THR A 88 -3.101 -2.883 -8.465 1.00 0.00 H new ATOM 0 HB THR A 88 -1.744 -1.167 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.505 0.675 -7.642 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.479 -0.383 -8.357 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.383 -2.151 -8.177 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.458 -1.439 -9.404 1.00 0.00 H new ATOM 1328 N VAL A 89 -2.334 -4.887 -7.153 1.00 0.00 N ATOM 1329 CA VAL A 89 -1.700 -6.026 -6.508 1.00 0.00 C ATOM 1330 C VAL A 89 -0.266 -6.189 -6.982 1.00 0.00 C ATOM 1331 O VAL A 89 -0.007 -6.252 -8.183 1.00 0.00 O ATOM 1332 CB VAL A 89 -2.452 -7.340 -6.801 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.043 -8.420 -5.814 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -3.955 -7.125 -6.773 1.00 0.00 C ATOM 0 H VAL A 89 -2.824 -5.115 -8.018 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.723 -5.826 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.180 -7.670 -7.803 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.584 -9.340 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.971 -8.601 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.280 -8.096 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.461 -8.067 -6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.253 -6.764 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.231 -6.389 -7.528 1.00 0.00 H new ATOM 1344 N ILE A 90 0.663 -6.249 -6.043 1.00 0.00 N ATOM 1345 CA ILE A 90 2.058 -6.431 -6.391 1.00 0.00 C ATOM 1346 C ILE A 90 2.333 -7.907 -6.656 1.00 0.00 C ATOM 1347 O ILE A 90 1.885 -8.782 -5.906 1.00 0.00 O ATOM 1348 CB ILE A 90 3.018 -5.917 -5.291 1.00 0.00 C ATOM 1349 CG1 ILE A 90 2.720 -6.592 -3.949 1.00 0.00 C ATOM 1350 CG2 ILE A 90 2.918 -4.404 -5.163 1.00 0.00 C ATOM 1351 CD1 ILE A 90 3.944 -6.779 -3.080 1.00 0.00 C ATOM 0 H ILE A 90 0.477 -6.175 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 90 2.245 -5.841 -7.288 1.00 0.00 H new ATOM 0 HB ILE A 90 4.037 -6.173 -5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.987 -5.995 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.264 -7.565 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.599 -4.059 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.186 -3.940 -6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.897 -4.128 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.657 -7.263 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.670 -7.402 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.388 -5.808 -2.864 1.00 0.00 H new ATOM 1363 N TYR A 91 3.033 -8.184 -7.739 1.00 0.00 N ATOM 1364 CA TYR A 91 3.370 -9.549 -8.094 1.00 0.00 C ATOM 1365 C TYR A 91 4.734 -9.898 -7.522 1.00 0.00 C ATOM 1366 O TYR A 91 5.709 -9.178 -7.741 1.00 0.00 O ATOM 1367 CB TYR A 91 3.362 -9.734 -9.613 1.00 0.00 C ATOM 1368 CG TYR A 91 1.978 -9.941 -10.193 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.111 -8.871 -10.386 1.00 0.00 C ATOM 1370 CD2 TYR A 91 1.540 -11.210 -10.549 1.00 0.00 C ATOM 1371 CE1 TYR A 91 -0.153 -9.062 -10.914 1.00 0.00 C ATOM 1372 CE2 TYR A 91 0.278 -11.409 -11.078 1.00 0.00 C ATOM 1373 CZ TYR A 91 -0.565 -10.333 -11.258 1.00 0.00 C ATOM 1374 OH TYR A 91 -1.826 -10.528 -11.787 1.00 0.00 O ATOM 0 H TYR A 91 3.380 -7.480 -8.390 1.00 0.00 H new ATOM 0 HA TYR A 91 2.621 -10.219 -7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.815 -8.859 -10.079 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.986 -10.590 -9.869 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.430 -7.874 -10.119 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.197 -12.056 -10.410 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.814 -8.220 -11.056 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.046 -12.403 -11.349 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.304 -11.197 -11.254 1.00 0.00 H new ATOM 1384 N ASN A 92 4.791 -10.984 -6.769 1.00 0.00 N ATOM 1385 CA ASN A 92 6.034 -11.427 -6.152 1.00 0.00 C ATOM 1386 C ASN A 92 7.015 -11.919 -7.218 1.00 0.00 C ATOM 1387 O ASN A 92 6.683 -12.794 -8.008 1.00 0.00 O ATOM 1388 CB ASN A 92 5.744 -12.536 -5.140 1.00 0.00 C ATOM 1389 CG ASN A 92 6.948 -12.877 -4.294 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.782 -13.685 -4.686 1.00 0.00 O ATOM 1391 ND2 ASN A 92 7.053 -12.264 -3.134 1.00 0.00 N ATOM 0 H ASN A 92 3.987 -11.579 -6.568 1.00 0.00 H new ATOM 0 HA ASN A 92 6.490 -10.584 -5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.924 -12.226 -4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.412 -13.429 -5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.850 -12.455 -2.526 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.338 -11.598 -2.843 1.00 0.00 H new ATOM 1398 N PRO A 93 8.239 -11.367 -7.245 1.00 0.00 N ATOM 1399 CA PRO A 93 9.262 -11.733 -8.234 1.00 0.00 C ATOM 1400 C PRO A 93 9.884 -13.105 -7.982 1.00 0.00 C ATOM 1401 O PRO A 93 10.586 -13.642 -8.838 1.00 0.00 O ATOM 1402 CB PRO A 93 10.336 -10.641 -8.079 1.00 0.00 C ATOM 1403 CG PRO A 93 9.761 -9.625 -7.145 1.00 0.00 C ATOM 1404 CD PRO A 93 8.727 -10.339 -6.326 1.00 0.00 C ATOM 0 HA PRO A 93 8.828 -11.797 -9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.261 -11.058 -7.680 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.578 -10.192 -9.042 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.537 -9.201 -6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.315 -8.798 -7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.156 -10.774 -5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.929 -9.668 -6.008 1.00 0.00 H new ATOM 1412 N ARG A 94 9.624 -13.675 -6.813 1.00 0.00 N ATOM 1413 CA ARG A 94 10.183 -14.975 -6.462 1.00 0.00 C ATOM 1414 C ARG A 94 9.162 -16.091 -6.685 1.00 0.00 C ATOM 1415 O ARG A 94 9.479 -17.134 -7.255 1.00 0.00 O ATOM 1416 CB ARG A 94 10.647 -14.964 -5.000 1.00 0.00 C ATOM 1417 CG ARG A 94 11.309 -13.654 -4.588 1.00 0.00 C ATOM 1418 CD ARG A 94 11.659 -13.624 -3.107 1.00 0.00 C ATOM 1419 NE ARG A 94 10.490 -13.828 -2.253 1.00 0.00 N ATOM 1420 CZ ARG A 94 9.785 -12.849 -1.683 1.00 0.00 C ATOM 1421 NH1 ARG A 94 10.102 -11.576 -1.889 1.00 0.00 N ATOM 1422 NH2 ARG A 94 8.753 -13.147 -0.909 1.00 0.00 N ATOM 0 H ARG A 94 9.032 -13.260 -6.094 1.00 0.00 H new ATOM 0 HA ARG A 94 11.038 -15.168 -7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.790 -15.149 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.349 -15.783 -4.842 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.215 -13.507 -5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.641 -12.824 -4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.399 -14.396 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 94 12.120 -12.666 -2.865 1.00 0.00 H new ATOM 0 HE ARG A 94 10.192 -14.788 -2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.892 -11.338 -2.489 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.555 -10.836 -1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.499 -14.122 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.212 -12.401 -0.471 1.00 0.00 H new ATOM 1436 N ASN A 95 7.937 -15.857 -6.236 1.00 0.00 N ATOM 1437 CA ASN A 95 6.856 -16.833 -6.368 1.00 0.00 C ATOM 1438 C ASN A 95 6.101 -16.647 -7.686 1.00 0.00 C ATOM 1439 O ASN A 95 5.391 -17.545 -8.139 1.00 0.00 O ATOM 1440 CB ASN A 95 5.895 -16.691 -5.180 1.00 0.00 C ATOM 1441 CG ASN A 95 4.809 -17.752 -5.143 1.00 0.00 C ATOM 1442 OD1 ASN A 95 4.989 -18.869 -5.631 1.00 0.00 O ATOM 1443 ND2 ASN A 95 3.679 -17.412 -4.537 1.00 0.00 N ATOM 0 H ASN A 95 7.662 -14.991 -5.772 1.00 0.00 H new ATOM 0 HA ASN A 95 7.288 -17.834 -6.372 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.467 -16.737 -4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.428 -15.707 -5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.918 -18.087 -4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.571 -16.476 -4.146 1.00 0.00 H new ATOM 1450 N LEU A 96 6.274 -15.472 -8.293 1.00 0.00 N ATOM 1451 CA LEU A 96 5.622 -15.128 -9.562 1.00 0.00 C ATOM 1452 C LEU A 96 4.102 -15.130 -9.423 1.00 0.00 C ATOM 1453 O LEU A 96 3.376 -15.451 -10.364 1.00 0.00 O ATOM 1454 CB LEU A 96 6.057 -16.080 -10.685 1.00 0.00 C ATOM 1455 CG LEU A 96 7.407 -15.761 -11.340 1.00 0.00 C ATOM 1456 CD1 LEU A 96 7.542 -14.267 -11.596 1.00 0.00 C ATOM 1457 CD2 LEU A 96 8.560 -16.264 -10.482 1.00 0.00 C ATOM 0 H LEU A 96 6.869 -14.731 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 96 5.938 -14.119 -9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.099 -17.092 -10.283 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.289 -16.076 -11.458 1.00 0.00 H new ATOM 0 HG LEU A 96 7.447 -16.278 -12.299 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.507 -14.063 -12.061 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.743 -13.938 -12.260 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.474 -13.728 -10.651 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.506 -16.026 -10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.523 -15.783 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.477 -17.344 -10.358 1.00 0.00 H new ATOM 1469 N GLN A 97 3.630 -14.750 -8.244 1.00 0.00 N ATOM 1470 CA GLN A 97 2.204 -14.702 -7.959 1.00 0.00 C ATOM 1471 C GLN A 97 1.869 -13.437 -7.177 1.00 0.00 C ATOM 1472 O GLN A 97 2.730 -12.889 -6.486 1.00 0.00 O ATOM 1473 CB GLN A 97 1.778 -15.936 -7.158 1.00 0.00 C ATOM 1474 CG GLN A 97 1.739 -17.214 -7.980 1.00 0.00 C ATOM 1475 CD GLN A 97 0.621 -17.221 -9.003 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -0.455 -16.665 -8.777 1.00 0.00 O ATOM 1477 NE2 GLN A 97 0.868 -17.858 -10.135 1.00 0.00 N ATOM 0 H GLN A 97 4.222 -14.468 -7.462 1.00 0.00 H new ATOM 0 HA GLN A 97 1.661 -14.692 -8.904 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.466 -16.072 -6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.791 -15.758 -6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.693 -17.341 -8.491 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.619 -18.067 -7.312 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.773 -18.305 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.154 -17.902 -10.862 1.00 0.00 H new ATOM 1486 N PRO A 98 0.626 -12.944 -7.290 1.00 0.00 N ATOM 1487 CA PRO A 98 0.186 -11.748 -6.571 1.00 0.00 C ATOM 1488 C PRO A 98 0.204 -11.971 -5.062 1.00 0.00 C ATOM 1489 O PRO A 98 -0.153 -13.051 -4.582 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.246 -11.527 -7.069 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.684 -12.850 -7.591 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.445 -13.511 -8.125 1.00 0.00 C ATOM 0 HA PRO A 98 0.836 -10.892 -6.752 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.896 -11.187 -6.263 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.279 -10.765 -7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.138 -13.450 -6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.433 -12.733 -8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.496 -14.596 -8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.293 -13.288 -9.181 1.00 0.00 H new ATOM 1500 N GLN A 99 0.636 -10.968 -4.315 1.00 0.00 N ATOM 1501 CA GLN A 99 0.702 -11.094 -2.866 1.00 0.00 C ATOM 1502 C GLN A 99 -0.113 -10.001 -2.177 1.00 0.00 C ATOM 1503 O GLN A 99 -1.246 -10.235 -1.756 1.00 0.00 O ATOM 1504 CB GLN A 99 2.162 -11.053 -2.398 1.00 0.00 C ATOM 1505 CG GLN A 99 2.448 -11.908 -1.168 1.00 0.00 C ATOM 1506 CD GLN A 99 1.792 -11.372 0.089 1.00 0.00 C ATOM 1507 OE1 GLN A 99 2.309 -10.463 0.734 1.00 0.00 O ATOM 1508 NE2 GLN A 99 0.654 -11.937 0.456 1.00 0.00 N ATOM 0 H GLN A 99 0.943 -10.067 -4.681 1.00 0.00 H new ATOM 0 HA GLN A 99 0.269 -12.055 -2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.803 -11.385 -3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.433 -10.020 -2.180 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.098 -12.924 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.526 -11.964 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.254 -12.690 -0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.176 -11.620 1.300 1.00 0.00 H new ATOM 1517 N CYS A 100 0.458 -8.812 -2.070 1.00 0.00 N ATOM 1518 CA CYS A 100 -0.217 -7.703 -1.414 1.00 0.00 C ATOM 1519 C CYS A 100 -1.125 -6.948 -2.375 1.00 0.00 C ATOM 1520 O CYS A 100 -0.655 -6.314 -3.323 1.00 0.00 O ATOM 1521 CB CYS A 100 0.804 -6.737 -0.811 1.00 0.00 C ATOM 1522 SG CYS A 100 1.920 -7.489 0.394 1.00 0.00 S ATOM 0 H CYS A 100 1.387 -8.590 -2.429 1.00 0.00 H new ATOM 0 HA CYS A 100 -0.834 -8.124 -0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 100 1.397 -6.304 -1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 100 0.271 -5.916 -0.332 1.00 0.00 H new ATOM 0 HG CYS A 100 1.923 -8.779 0.236 1.00 0.00 H new ATOM 1528 N ILE A 101 -2.425 -7.030 -2.136 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.397 -6.323 -2.949 1.00 0.00 C ATOM 1530 C ILE A 101 -3.552 -4.909 -2.404 1.00 0.00 C ATOM 1531 O ILE A 101 -4.287 -4.681 -1.440 1.00 0.00 O ATOM 1532 CB ILE A 101 -4.775 -7.029 -2.954 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.632 -8.482 -3.422 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -5.758 -6.275 -3.840 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -5.913 -9.283 -3.332 1.00 0.00 C ATOM 0 H ILE A 101 -2.831 -7.583 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.035 -6.306 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.164 -7.033 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.283 -8.488 -4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.865 -8.973 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.721 -6.786 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.882 -5.260 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.375 -6.239 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.732 -10.300 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.254 -9.309 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.678 -8.817 -3.954 1.00 0.00 H new ATOM 1547 N MET A 102 -2.826 -3.973 -2.990 1.00 0.00 N ATOM 1548 CA MET A 102 -2.877 -2.589 -2.553 1.00 0.00 C ATOM 1549 C MET A 102 -4.056 -1.874 -3.189 1.00 0.00 C ATOM 1550 O MET A 102 -3.972 -1.385 -4.315 1.00 0.00 O ATOM 1551 CB MET A 102 -1.576 -1.870 -2.908 1.00 0.00 C ATOM 1552 CG MET A 102 -0.351 -2.445 -2.212 1.00 0.00 C ATOM 1553 SD MET A 102 1.199 -1.908 -2.961 1.00 0.00 S ATOM 1554 CE MET A 102 1.044 -0.127 -2.835 1.00 0.00 C ATOM 0 H MET A 102 -2.193 -4.147 -3.771 1.00 0.00 H new ATOM 0 HA MET A 102 -3.002 -2.576 -1.470 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.427 -1.919 -3.987 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.670 -0.816 -2.647 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.363 -2.149 -1.163 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.403 -3.533 -2.237 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.995 0.340 -3.092 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.272 0.221 -3.522 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.771 0.143 -1.815 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.162 -1.840 -2.475 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.351 -1.179 -2.969 1.00 0.00 C ATOM 1566 C CYS A 103 -6.307 0.294 -2.609 1.00 0.00 C ATOM 1567 O CYS A 103 -6.396 0.660 -1.436 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.605 -1.836 -2.391 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.875 -3.528 -2.969 1.00 0.00 S ATOM 0 H CYS A 103 -5.262 -2.262 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.386 -1.275 -4.054 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.533 -1.841 -1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.473 -1.230 -2.650 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.956 -4.004 -2.427 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.120 1.131 -3.613 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.072 2.566 -3.401 1.00 0.00 C ATOM 1577 C VAL A 104 -7.490 3.113 -3.333 1.00 0.00 C ATOM 1578 O VAL A 104 -8.115 3.379 -4.359 1.00 0.00 O ATOM 1579 CB VAL A 104 -5.284 3.281 -4.515 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -4.932 4.702 -4.102 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -4.027 2.500 -4.871 1.00 0.00 C ATOM 0 H VAL A 104 -5.999 0.842 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.554 2.754 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.919 3.331 -5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.376 5.187 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.847 5.261 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.321 4.678 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.485 3.022 -5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.391 2.413 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.303 1.505 -5.219 1.00 0.00 H new ATOM 1591 N ASN A 105 -8.001 3.244 -2.120 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.355 3.731 -1.906 1.00 0.00 C ATOM 1593 C ASN A 105 -9.354 5.225 -1.618 1.00 0.00 C ATOM 1594 O ASN A 105 -8.607 5.703 -0.760 1.00 0.00 O ATOM 1595 CB ASN A 105 -10.024 2.989 -0.742 1.00 0.00 C ATOM 1596 CG ASN A 105 -9.390 1.641 -0.436 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -9.833 0.603 -0.919 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -8.346 1.647 0.377 1.00 0.00 N ATOM 0 H ASN A 105 -7.495 3.019 -1.263 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.920 3.545 -2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.979 3.614 0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -11.079 2.841 -0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.884 0.771 0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -8.004 2.528 0.761 1.00 0.00 H new ATOM 1605 N TYR A 106 -10.193 5.957 -2.335 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.307 7.398 -2.152 1.00 0.00 C ATOM 1607 C TYR A 106 -11.767 7.823 -2.206 1.00 0.00 C ATOM 1608 O TYR A 106 -12.499 7.450 -3.125 1.00 0.00 O ATOM 1609 CB TYR A 106 -9.496 8.175 -3.200 1.00 0.00 C ATOM 1610 CG TYR A 106 -9.132 7.393 -4.447 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -10.079 7.114 -5.425 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -7.832 6.945 -4.649 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -9.740 6.409 -6.566 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -7.487 6.241 -5.787 1.00 0.00 C ATOM 1615 CZ TYR A 106 -8.444 5.976 -6.741 1.00 0.00 C ATOM 1616 OH TYR A 106 -8.102 5.274 -7.874 1.00 0.00 O ATOM 0 H TYR A 106 -10.809 5.575 -3.053 1.00 0.00 H new ATOM 0 HA TYR A 106 -9.896 7.635 -1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.066 9.056 -3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.578 8.532 -2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -11.096 7.453 -5.292 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.078 7.151 -3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.488 6.199 -7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -6.472 5.900 -5.927 1.00 0.00 H new ATOM 0 HH TYR A 106 -7.126 5.251 -7.962 1.00 0.00 H new ATOM 1626 N VAL A 107 -12.188 8.596 -1.216 1.00 0.00 N ATOM 1627 CA VAL A 107 -13.563 9.065 -1.150 1.00 0.00 C ATOM 1628 C VAL A 107 -13.688 10.453 -1.778 1.00 0.00 C ATOM 1629 O VAL A 107 -12.904 11.356 -1.482 1.00 0.00 O ATOM 1630 CB VAL A 107 -14.089 9.071 0.308 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -13.227 9.947 1.202 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -15.546 9.511 0.364 1.00 0.00 C ATOM 0 H VAL A 107 -11.597 8.912 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 107 -14.180 8.371 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 107 -14.030 8.049 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.622 9.930 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.204 9.570 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.236 10.970 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -15.888 9.506 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -15.638 10.518 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.156 8.825 -0.223 1.00 0.00 H new ATOM 1642 N LEU A 108 -14.660 10.605 -2.667 1.00 0.00 N ATOM 1643 CA LEU A 108 -14.881 11.874 -3.348 1.00 0.00 C ATOM 1644 C LEU A 108 -16.276 12.418 -3.067 1.00 0.00 C ATOM 1645 O LEU A 108 -16.500 13.627 -3.118 1.00 0.00 O ATOM 1646 CB LEU A 108 -14.680 11.707 -4.856 1.00 0.00 C ATOM 1647 CG LEU A 108 -13.234 11.455 -5.290 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -13.173 11.106 -6.768 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -12.372 12.673 -4.996 1.00 0.00 C ATOM 0 H LEU A 108 -15.309 9.865 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.154 12.590 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -15.297 10.877 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.043 12.604 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.846 10.610 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.137 10.930 -7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.759 10.206 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.579 11.931 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.347 12.478 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.761 13.534 -5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.390 12.882 -3.926 1.00 0.00 H new ATOM 1661 N SER A 109 -17.210 11.528 -2.770 1.00 0.00 N ATOM 1662 CA SER A 109 -18.575 11.932 -2.487 1.00 0.00 C ATOM 1663 C SER A 109 -18.853 11.870 -0.986 1.00 0.00 C ATOM 1664 O SER A 109 -17.928 11.747 -0.178 1.00 0.00 O ATOM 1665 CB SER A 109 -19.550 11.042 -3.257 1.00 0.00 C ATOM 1666 OG SER A 109 -19.243 11.035 -4.643 1.00 0.00 O ATOM 0 H SER A 109 -17.046 10.522 -2.719 1.00 0.00 H new ATOM 0 HA SER A 109 -18.713 12.963 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.507 10.025 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.569 11.398 -3.108 1.00 0.00 H new ATOM 0 HG SER A 109 -19.878 10.458 -5.116 1.00 0.00 H new ATOM 1672 N GLU A 110 -20.121 11.963 -0.621 1.00 0.00 N ATOM 1673 CA GLU A 110 -20.528 11.930 0.775 1.00 0.00 C ATOM 1674 C GLU A 110 -20.916 10.514 1.206 1.00 0.00 C ATOM 1675 O GLU A 110 -20.673 9.540 0.486 1.00 0.00 O ATOM 1676 CB GLU A 110 -21.704 12.888 1.004 1.00 0.00 C ATOM 1677 CG GLU A 110 -22.939 12.563 0.173 1.00 0.00 C ATOM 1678 CD GLU A 110 -22.925 13.228 -1.187 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -22.204 12.745 -2.084 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -23.631 14.241 -1.366 1.00 0.00 O ATOM 0 H GLU A 110 -20.894 12.063 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 110 -19.680 12.249 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -21.974 12.870 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -21.382 13.904 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -23.010 11.483 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -23.830 12.878 0.717 1.00 0.00 H new ATOM 1687 N ILE A 111 -21.505 10.414 2.391 1.00 0.00 N ATOM 1688 CA ILE A 111 -21.941 9.137 2.941 1.00 0.00 C ATOM 1689 C ILE A 111 -23.466 9.079 2.990 1.00 0.00 C ATOM 1690 O ILE A 111 -24.108 9.976 3.541 1.00 0.00 O ATOM 1691 CB ILE A 111 -21.379 8.916 4.365 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -19.862 9.131 4.379 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.726 7.518 4.863 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -19.260 9.143 5.766 1.00 0.00 C ATOM 0 H ILE A 111 -21.693 11.213 2.996 1.00 0.00 H new ATOM 0 HA ILE A 111 -21.561 8.350 2.290 1.00 0.00 H new ATOM 0 HB ILE A 111 -21.837 9.643 5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -19.387 8.343 3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -19.634 10.076 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.323 7.379 5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.809 7.399 4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -21.294 6.775 4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -18.184 9.300 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -19.706 9.949 6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -19.456 8.189 6.256 1.00 0.00 H new ATOM 1706 N GLU A 112 -24.037 8.040 2.396 1.00 0.00 N ATOM 1707 CA GLU A 112 -25.483 7.861 2.380 1.00 0.00 C ATOM 1708 C GLU A 112 -25.968 7.341 3.724 1.00 0.00 C ATOM 1709 O GLU A 112 -25.389 6.352 4.224 1.00 0.00 O ATOM 1710 CB GLU A 112 -25.906 6.892 1.272 1.00 0.00 C ATOM 1711 CG GLU A 112 -25.706 7.436 -0.130 1.00 0.00 C ATOM 1712 CD GLU A 112 -26.436 6.623 -1.182 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -25.992 5.494 -1.483 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -27.452 7.109 -1.720 1.00 0.00 O ATOM 1715 OXT GLU A 112 -26.922 7.921 4.281 1.00 0.00 O ATOM 0 H GLU A 112 -23.518 7.305 1.916 1.00 0.00 H new ATOM 0 HA GLU A 112 -25.936 8.833 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -25.339 5.967 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -26.958 6.639 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -26.054 8.468 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -24.641 7.450 -0.362 1.00 0.00 H new TER 1722 GLU A 112 ATOM 1723 N CYS B 7 5.238 -17.144 10.043 1.00 1.33 N ATOM 1724 CA CYS B 7 6.187 -16.282 9.311 1.00 1.38 C ATOM 1725 C CYS B 7 5.431 -15.323 8.395 1.00 1.15 C ATOM 1726 O CYS B 7 4.214 -15.433 8.241 1.00 1.28 O ATOM 1727 CB CYS B 7 7.151 -17.150 8.499 1.00 1.79 C ATOM 1728 SG CYS B 7 7.901 -18.497 9.445 1.00 2.58 S ATOM 0 HA CYS B 7 6.760 -15.692 10.027 1.00 1.38 H new ATOM 0 HB2 CYS B 7 6.616 -17.571 7.648 1.00 1.79 H new ATOM 0 HB3 CYS B 7 7.942 -16.518 8.097 1.00 1.79 H new ATOM 0 HG CYS B 7 8.698 -19.177 8.675 1.00 2.58 H new ATOM 1736 N GLN B 8 6.141 -14.375 7.802 1.00 0.90 N ATOM 1737 CA GLN B 8 5.520 -13.406 6.907 1.00 0.76 C ATOM 1738 C GLN B 8 6.357 -13.229 5.649 1.00 0.65 C ATOM 1739 O GLN B 8 7.579 -13.388 5.688 1.00 0.64 O ATOM 1740 CB GLN B 8 5.331 -12.065 7.618 1.00 0.71 C ATOM 1741 CG GLN B 8 4.114 -12.037 8.532 1.00 0.89 C ATOM 1742 CD GLN B 8 2.805 -12.002 7.766 1.00 1.17 C ATOM 1743 OE1 GLN B 8 2.271 -10.932 7.479 1.00 1.79 O ATOM 1744 NE2 GLN B 8 2.270 -13.170 7.438 1.00 1.90 N ATOM 0 H GLN B 8 7.147 -14.255 7.923 1.00 0.90 H new ATOM 0 HA GLN B 8 4.539 -13.784 6.617 1.00 0.76 H new ATOM 0 HB2 GLN B 8 6.223 -11.843 8.204 1.00 0.71 H new ATOM 0 HB3 GLN B 8 5.235 -11.276 6.872 1.00 0.71 H new ATOM 0 HG2 GLN B 8 4.129 -12.916 9.177 1.00 0.89 H new ATOM 0 HG3 GLN B 8 4.173 -11.164 9.182 1.00 0.89 H new ATOM 0 HE21 GLN B 8 2.743 -14.037 7.693 1.00 1.90 H new ATOM 0 HE22 GLN B 8 1.386 -13.201 6.930 1.00 1.90 H new ATOM 1753 N PRO B 9 5.703 -12.931 4.513 1.00 0.64 N ATOM 1754 CA PRO B 9 6.382 -12.733 3.227 1.00 0.56 C ATOM 1755 C PRO B 9 7.431 -11.628 3.281 1.00 0.44 C ATOM 1756 O PRO B 9 7.303 -10.668 4.046 1.00 0.38 O ATOM 1757 CB PRO B 9 5.246 -12.348 2.274 1.00 0.61 C ATOM 1758 CG PRO B 9 4.017 -12.896 2.907 1.00 0.75 C ATOM 1759 CD PRO B 9 4.242 -12.781 4.385 1.00 0.77 C ATOM 0 HA PRO B 9 6.929 -13.624 2.920 1.00 0.56 H new ATOM 0 HB2 PRO B 9 5.180 -11.267 2.153 1.00 0.61 H new ATOM 0 HB3 PRO B 9 5.402 -12.771 1.281 1.00 0.61 H new ATOM 0 HG2 PRO B 9 3.134 -12.336 2.600 1.00 0.75 H new ATOM 0 HG3 PRO B 9 3.854 -13.933 2.614 1.00 0.75 H new ATOM 0 HD2 PRO B 9 3.900 -11.821 4.771 1.00 0.77 H new ATOM 0 HD3 PRO B 9 3.707 -13.555 4.936 1.00 0.77 H new ATOM 1767 N THR B 10 8.465 -11.769 2.466 1.00 0.43 N ATOM 1768 CA THR B 10 9.544 -10.795 2.414 1.00 0.37 C ATOM 1769 C THR B 10 9.147 -9.580 1.575 1.00 0.31 C ATOM 1770 O THR B 10 9.767 -9.279 0.549 1.00 0.39 O ATOM 1771 CB THR B 10 10.814 -11.433 1.834 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.750 -12.858 2.000 1.00 0.88 O ATOM 1773 CG2 THR B 10 12.060 -10.890 2.522 1.00 0.62 C ATOM 0 H THR B 10 8.580 -12.555 1.827 1.00 0.43 H new ATOM 0 HA THR B 10 9.743 -10.463 3.433 1.00 0.37 H new ATOM 0 HB THR B 10 10.875 -11.186 0.774 1.00 0.46 H new ATOM 0 HG1 THR B 10 11.559 -13.267 1.629 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.946 -11.358 2.093 1.00 0.62 H new ATOM 0 HG22 THR B 10 12.114 -9.811 2.378 1.00 0.62 H new ATOM 0 HG23 THR B 10 12.013 -11.112 3.588 1.00 0.62 H new ATOM 1781 N GLU B 11 8.098 -8.902 2.017 1.00 0.30 N ATOM 1782 CA GLU B 11 7.594 -7.715 1.349 1.00 0.31 C ATOM 1783 C GLU B 11 6.744 -6.906 2.317 1.00 0.27 C ATOM 1784 O GLU B 11 5.850 -7.448 2.971 1.00 0.31 O ATOM 1785 CB GLU B 11 6.782 -8.082 0.099 1.00 0.45 C ATOM 1786 CG GLU B 11 5.868 -9.286 0.280 1.00 1.13 C ATOM 1787 CD GLU B 11 6.219 -10.424 -0.658 1.00 1.36 C ATOM 1788 OE1 GLU B 11 5.716 -10.436 -1.799 1.00 1.65 O ATOM 1789 OE2 GLU B 11 7.002 -11.314 -0.256 1.00 1.83 O ATOM 0 H GLU B 11 7.572 -9.162 2.852 1.00 0.30 H new ATOM 0 HA GLU B 11 8.443 -7.113 1.026 1.00 0.31 H new ATOM 0 HB2 GLU B 11 6.179 -7.223 -0.194 1.00 0.45 H new ATOM 0 HB3 GLU B 11 7.470 -8.283 -0.722 1.00 0.45 H new ATOM 0 HG2 GLU B 11 5.932 -9.635 1.311 1.00 1.13 H new ATOM 0 HG3 GLU B 11 4.835 -8.983 0.109 1.00 1.13 H new ATOM 1796 N PHE B 12 7.029 -5.620 2.423 1.00 0.30 N ATOM 1797 CA PHE B 12 6.287 -4.753 3.323 1.00 0.30 C ATOM 1798 C PHE B 12 6.089 -3.381 2.693 1.00 0.27 C ATOM 1799 O PHE B 12 6.905 -2.938 1.884 1.00 0.33 O ATOM 1800 CB PHE B 12 6.999 -4.644 4.679 1.00 0.35 C ATOM 1801 CG PHE B 12 8.249 -3.810 4.677 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.429 -4.301 4.148 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.245 -2.538 5.226 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.581 -3.539 4.162 1.00 0.42 C ATOM 1805 CE2 PHE B 12 9.394 -1.773 5.248 1.00 0.45 C ATOM 1806 CZ PHE B 12 10.564 -2.275 4.713 1.00 0.40 C ATOM 0 H PHE B 12 7.768 -5.153 1.898 1.00 0.30 H new ATOM 0 HA PHE B 12 5.304 -5.190 3.498 1.00 0.30 H new ATOM 0 HB2 PHE B 12 6.302 -4.225 5.405 1.00 0.35 H new ATOM 0 HB3 PHE B 12 7.251 -5.648 5.021 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.450 -5.292 3.719 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.331 -2.140 5.642 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.495 -3.933 3.742 1.00 0.42 H new ATOM 0 HE2 PHE B 12 9.378 -0.784 5.683 1.00 0.45 H new ATOM 0 HZ PHE B 12 11.464 -1.679 4.726 1.00 0.40 H new ATOM 1816 N ILE B 13 5.006 -2.715 3.064 1.00 0.27 N ATOM 1817 CA ILE B 13 4.697 -1.402 2.519 1.00 0.27 C ATOM 1818 C ILE B 13 5.179 -0.307 3.463 1.00 0.29 C ATOM 1819 O ILE B 13 4.827 -0.284 4.641 1.00 0.35 O ATOM 1820 CB ILE B 13 3.185 -1.227 2.265 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.582 -2.509 1.678 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.945 -0.051 1.327 1.00 0.85 C ATOM 1823 CD1 ILE B 13 1.078 -2.453 1.500 1.00 1.40 C ATOM 0 H ILE B 13 4.326 -3.062 3.740 1.00 0.27 H new ATOM 0 HA ILE B 13 5.216 -1.321 1.564 1.00 0.27 H new ATOM 0 HB ILE B 13 2.695 -1.024 3.217 1.00 0.36 H new ATOM 0 HG12 ILE B 13 3.045 -2.708 0.712 1.00 0.98 H new ATOM 0 HG13 ILE B 13 2.830 -3.347 2.329 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.875 0.064 1.154 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.340 0.860 1.777 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.448 -0.234 0.378 1.00 0.85 H new ATOM 0 HD11 ILE B 13 0.726 -3.395 1.081 1.00 1.40 H new ATOM 0 HD12 ILE B 13 0.603 -2.286 2.467 1.00 1.40 H new ATOM 0 HD13 ILE B 13 0.822 -1.637 0.824 1.00 1.40 H new ATOM 1835 N SER B 14 5.984 0.596 2.938 1.00 0.34 N ATOM 1836 CA SER B 14 6.526 1.683 3.731 1.00 0.42 C ATOM 1837 C SER B 14 5.854 3.009 3.393 1.00 0.35 C ATOM 1838 O SER B 14 5.978 3.510 2.274 1.00 0.40 O ATOM 1839 CB SER B 14 8.027 1.788 3.486 1.00 0.54 C ATOM 1840 OG SER B 14 8.596 0.508 3.274 1.00 1.47 O ATOM 0 H SER B 14 6.278 0.598 1.961 1.00 0.34 H new ATOM 0 HA SER B 14 6.333 1.469 4.782 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.214 2.422 2.619 1.00 0.54 H new ATOM 0 HB3 SER B 14 8.506 2.266 4.340 1.00 0.54 H new ATOM 0 HG SER B 14 8.713 0.055 4.135 1.00 1.47 H new ATOM 1846 N ARG B 15 5.143 3.574 4.361 1.00 0.31 N ATOM 1847 CA ARG B 15 4.471 4.851 4.170 1.00 0.31 C ATOM 1848 C ARG B 15 5.408 5.975 4.601 1.00 0.27 C ATOM 1849 O ARG B 15 5.620 6.198 5.794 1.00 0.29 O ATOM 1850 CB ARG B 15 3.164 4.908 4.975 1.00 0.42 C ATOM 1851 CG ARG B 15 2.137 3.867 4.553 1.00 0.54 C ATOM 1852 CD ARG B 15 1.133 3.580 5.661 1.00 0.90 C ATOM 1853 NE ARG B 15 -0.123 4.326 5.506 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.735 4.963 6.507 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.172 5.014 7.706 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -1.913 5.541 6.316 1.00 2.69 N ATOM 0 H ARG B 15 5.017 3.166 5.287 1.00 0.31 H new ATOM 0 HA ARG B 15 4.218 4.967 3.116 1.00 0.31 H new ATOM 0 HB2 ARG B 15 3.393 4.771 6.032 1.00 0.42 H new ATOM 0 HB3 ARG B 15 2.726 5.901 4.869 1.00 0.42 H new ATOM 0 HG2 ARG B 15 1.609 4.217 3.666 1.00 0.54 H new ATOM 0 HG3 ARG B 15 2.647 2.944 4.277 1.00 0.54 H new ATOM 0 HD2 ARG B 15 0.915 2.512 5.678 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.581 3.830 6.623 1.00 0.90 H new ATOM 0 HE ARG B 15 -0.552 4.359 4.581 1.00 1.40 H new ATOM 0 HH11 ARG B 15 0.730 4.566 7.865 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -0.641 5.501 8.469 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -2.358 5.501 5.399 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -2.374 6.026 7.086 1.00 2.69 H new ATOM 1870 N HIS B 16 5.996 6.659 3.630 1.00 0.28 N ATOM 1871 CA HIS B 16 6.922 7.747 3.923 1.00 0.28 C ATOM 1872 C HIS B 16 6.623 8.963 3.059 1.00 0.32 C ATOM 1873 O HIS B 16 6.029 8.839 1.988 1.00 0.40 O ATOM 1874 CB HIS B 16 8.374 7.295 3.714 1.00 0.32 C ATOM 1875 CG HIS B 16 8.733 6.982 2.294 1.00 0.36 C ATOM 1876 ND1 HIS B 16 9.000 7.950 1.349 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.881 5.798 1.664 1.00 0.75 C ATOM 1878 CE1 HIS B 16 9.298 7.373 0.204 1.00 0.46 C ATOM 1879 NE2 HIS B 16 9.233 6.067 0.366 1.00 0.61 N ATOM 0 H HIS B 16 5.850 6.482 2.636 1.00 0.28 H new ATOM 0 HA HIS B 16 6.790 8.026 4.968 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.040 8.077 4.079 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.556 6.410 4.324 1.00 0.32 H new ATOM 0 HD1 HIS B 16 8.971 8.957 1.512 1.00 0.54 H new ATOM 0 HD2 HIS B 16 8.747 4.819 2.101 1.00 0.75 H new ATOM 0 HE1 HIS B 16 9.553 7.884 -0.713 1.00 0.46 H new ATOM 1888 N ASN B 17 7.066 10.128 3.513 1.00 0.31 N ATOM 1889 CA ASN B 17 6.841 11.367 2.779 1.00 0.39 C ATOM 1890 C ASN B 17 7.752 11.447 1.549 1.00 0.35 C ATOM 1891 O ASN B 17 8.621 10.591 1.353 1.00 0.32 O ATOM 1892 CB ASN B 17 7.034 12.587 3.701 1.00 0.49 C ATOM 1893 CG ASN B 17 8.477 13.048 3.833 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.415 12.261 3.741 1.00 2.04 O ATOM 1895 ND2 ASN B 17 8.662 14.340 4.048 1.00 0.59 N ATOM 0 H ASN B 17 7.583 10.241 4.385 1.00 0.31 H new ATOM 0 HA ASN B 17 5.810 11.374 2.426 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.434 13.414 3.321 1.00 0.49 H new ATOM 0 HB3 ASN B 17 6.650 12.344 4.692 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.607 14.711 4.143 1.00 0.59 H new ATOM 0 HD22 ASN B 17 7.859 14.965 4.119 1.00 0.59 H new ATOM 1902 N ILE B 18 7.547 12.474 0.731 1.00 0.40 N ATOM 1903 CA ILE B 18 8.321 12.674 -0.497 1.00 0.45 C ATOM 1904 C ILE B 18 9.825 12.822 -0.247 1.00 0.44 C ATOM 1905 O ILE B 18 10.631 12.560 -1.139 1.00 0.52 O ATOM 1906 CB ILE B 18 7.819 13.908 -1.278 1.00 0.53 C ATOM 1907 CG1 ILE B 18 7.730 15.129 -0.355 1.00 0.59 C ATOM 1908 CG2 ILE B 18 6.467 13.615 -1.917 1.00 0.57 C ATOM 1909 CD1 ILE B 18 7.316 16.401 -1.063 1.00 0.70 C ATOM 0 H ILE B 18 6.842 13.192 0.897 1.00 0.40 H new ATOM 0 HA ILE B 18 8.168 11.770 -1.087 1.00 0.45 H new ATOM 0 HB ILE B 18 8.533 14.132 -2.070 1.00 0.53 H new ATOM 0 HG12 ILE B 18 7.017 14.919 0.442 1.00 0.59 H new ATOM 0 HG13 ILE B 18 8.699 15.287 0.118 1.00 0.59 H new ATOM 0 HG21 ILE B 18 6.125 14.494 -2.464 1.00 0.57 H new ATOM 0 HG22 ILE B 18 6.564 12.774 -2.604 1.00 0.57 H new ATOM 0 HG23 ILE B 18 5.744 13.367 -1.140 1.00 0.57 H new ATOM 0 HD11 ILE B 18 7.275 17.220 -0.345 1.00 0.70 H new ATOM 0 HD12 ILE B 18 8.041 16.637 -1.842 1.00 0.70 H new ATOM 0 HD13 ILE B 18 6.333 16.264 -1.513 1.00 0.70 H new ATOM 1921 N GLU B 19 10.204 13.235 0.956 1.00 0.41 N ATOM 1922 CA GLU B 19 11.615 13.418 1.289 1.00 0.45 C ATOM 1923 C GLU B 19 12.267 12.091 1.668 1.00 0.41 C ATOM 1924 O GLU B 19 13.491 11.970 1.698 1.00 0.51 O ATOM 1925 CB GLU B 19 11.760 14.420 2.431 1.00 0.50 C ATOM 1926 CG GLU B 19 11.056 15.739 2.165 1.00 0.65 C ATOM 1927 CD GLU B 19 11.219 16.716 3.305 1.00 1.21 C ATOM 1928 OE1 GLU B 19 10.704 16.441 4.405 1.00 1.92 O ATOM 1929 OE2 GLU B 19 11.875 17.759 3.111 1.00 1.28 O ATOM 0 H GLU B 19 9.558 13.449 1.716 1.00 0.41 H new ATOM 0 HA GLU B 19 12.124 13.806 0.407 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.360 13.980 3.344 1.00 0.50 H new ATOM 0 HB3 GLU B 19 12.819 14.610 2.606 1.00 0.50 H new ATOM 0 HG2 GLU B 19 11.452 16.182 1.251 1.00 0.65 H new ATOM 0 HG3 GLU B 19 9.995 15.554 1.997 1.00 0.65 H new ATOM 1936 N GLY B 20 11.443 11.099 1.965 1.00 0.33 N ATOM 1937 CA GLY B 20 11.961 9.796 2.326 1.00 0.32 C ATOM 1938 C GLY B 20 11.766 9.476 3.792 1.00 0.29 C ATOM 1939 O GLY B 20 12.053 8.362 4.227 1.00 0.34 O ATOM 0 H GLY B 20 10.426 11.172 1.963 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.468 9.034 1.723 1.00 0.32 H new ATOM 0 HA3 GLY B 20 13.024 9.753 2.087 1.00 0.32 H new ATOM 1943 N ILE B 21 11.275 10.451 4.543 1.00 0.27 N ATOM 1944 CA ILE B 21 11.030 10.285 5.970 1.00 0.28 C ATOM 1945 C ILE B 21 9.829 9.379 6.194 1.00 0.27 C ATOM 1946 O ILE B 21 8.724 9.676 5.736 1.00 0.31 O ATOM 1947 CB ILE B 21 10.770 11.640 6.666 1.00 0.32 C ATOM 1948 CG1 ILE B 21 11.946 12.596 6.444 1.00 0.37 C ATOM 1949 CG2 ILE B 21 10.518 11.439 8.154 1.00 0.41 C ATOM 1950 CD1 ILE B 21 13.239 12.134 7.082 1.00 0.47 C ATOM 0 H ILE B 21 11.036 11.375 4.184 1.00 0.27 H new ATOM 0 HA ILE B 21 11.925 9.837 6.402 1.00 0.28 H new ATOM 0 HB ILE B 21 9.879 12.085 6.224 1.00 0.32 H new ATOM 0 HG12 ILE B 21 12.104 12.719 5.373 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.685 13.576 6.843 1.00 0.37 H new ATOM 0 HG21 ILE B 21 10.337 12.405 8.626 1.00 0.41 H new ATOM 0 HG22 ILE B 21 9.647 10.799 8.292 1.00 0.41 H new ATOM 0 HG23 ILE B 21 11.389 10.970 8.610 1.00 0.41 H new ATOM 0 HD11 ILE B 21 14.024 12.863 6.881 1.00 0.47 H new ATOM 0 HD12 ILE B 21 13.100 12.038 8.159 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.525 11.168 6.666 1.00 0.47 H new ATOM 1962 N PHE B 22 10.053 8.265 6.873 1.00 0.25 N ATOM 1963 CA PHE B 22 8.988 7.310 7.151 1.00 0.27 C ATOM 1964 C PHE B 22 8.040 7.831 8.227 1.00 0.28 C ATOM 1965 O PHE B 22 8.470 8.188 9.327 1.00 0.35 O ATOM 1966 CB PHE B 22 9.575 5.970 7.589 1.00 0.31 C ATOM 1967 CG PHE B 22 10.374 5.278 6.521 1.00 0.33 C ATOM 1968 CD1 PHE B 22 11.732 5.514 6.391 1.00 0.38 C ATOM 1969 CD2 PHE B 22 9.766 4.388 5.652 1.00 0.36 C ATOM 1970 CE1 PHE B 22 12.469 4.876 5.416 1.00 0.45 C ATOM 1971 CE2 PHE B 22 10.500 3.748 4.672 1.00 0.44 C ATOM 1972 CZ PHE B 22 11.853 3.992 4.554 1.00 0.46 C ATOM 0 H PHE B 22 10.965 7.998 7.243 1.00 0.25 H new ATOM 0 HA PHE B 22 8.421 7.173 6.230 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.212 6.130 8.459 1.00 0.31 H new ATOM 0 HB3 PHE B 22 8.763 5.314 7.904 1.00 0.31 H new ATOM 0 HD1 PHE B 22 12.220 6.206 7.061 1.00 0.38 H new ATOM 0 HD2 PHE B 22 8.708 4.192 5.741 1.00 0.36 H new ATOM 0 HE1 PHE B 22 13.528 5.068 5.327 1.00 0.45 H new ATOM 0 HE2 PHE B 22 10.015 3.057 3.998 1.00 0.44 H new ATOM 0 HZ PHE B 22 12.428 3.492 3.789 1.00 0.46 H new ATOM 1982 N THR B 23 6.756 7.885 7.895 1.00 0.27 N ATOM 1983 CA THR B 23 5.738 8.335 8.831 1.00 0.30 C ATOM 1984 C THR B 23 5.059 7.135 9.484 1.00 0.27 C ATOM 1985 O THR B 23 4.574 7.214 10.614 1.00 0.33 O ATOM 1986 CB THR B 23 4.681 9.205 8.124 1.00 0.42 C ATOM 1987 OG1 THR B 23 4.787 9.042 6.700 1.00 1.35 O ATOM 1988 CG2 THR B 23 4.858 10.672 8.488 1.00 1.14 C ATOM 0 H THR B 23 6.395 7.621 6.978 1.00 0.27 H new ATOM 0 HA THR B 23 6.227 8.938 9.596 1.00 0.30 H new ATOM 0 HB THR B 23 3.693 8.883 8.454 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.111 9.596 6.256 1.00 1.35 H new ATOM 0 HG21 THR B 23 4.101 11.267 7.977 1.00 1.14 H new ATOM 0 HG22 THR B 23 4.750 10.795 9.566 1.00 1.14 H new ATOM 0 HG23 THR B 23 5.849 11.006 8.182 1.00 1.14 H new ATOM 1996 N PHE B 24 5.035 6.022 8.761 1.00 0.25 N ATOM 1997 CA PHE B 24 4.435 4.792 9.253 1.00 0.28 C ATOM 1998 C PHE B 24 4.978 3.601 8.472 1.00 0.26 C ATOM 1999 O PHE B 24 4.830 3.528 7.251 1.00 0.27 O ATOM 2000 CB PHE B 24 2.908 4.850 9.128 1.00 0.36 C ATOM 2001 CG PHE B 24 2.190 3.871 10.013 1.00 0.46 C ATOM 2002 CD1 PHE B 24 1.917 4.184 11.335 1.00 0.59 C ATOM 2003 CD2 PHE B 24 1.788 2.640 9.522 1.00 0.51 C ATOM 2004 CE1 PHE B 24 1.258 3.285 12.152 1.00 0.71 C ATOM 2005 CE2 PHE B 24 1.129 1.737 10.335 1.00 0.61 C ATOM 2006 CZ PHE B 24 0.864 2.060 11.652 1.00 0.70 C ATOM 0 H PHE B 24 5.429 5.948 7.823 1.00 0.25 H new ATOM 0 HA PHE B 24 4.692 4.677 10.306 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.571 5.858 9.369 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.630 4.660 8.091 1.00 0.36 H new ATOM 0 HD1 PHE B 24 2.223 5.141 11.731 1.00 0.59 H new ATOM 0 HD2 PHE B 24 1.992 2.383 8.493 1.00 0.51 H new ATOM 0 HE1 PHE B 24 1.051 3.541 13.181 1.00 0.71 H new ATOM 0 HE2 PHE B 24 0.821 0.780 9.941 1.00 0.61 H new ATOM 0 HZ PHE B 24 0.350 1.356 12.289 1.00 0.70 H new ATOM 2016 N VAL B 25 5.620 2.683 9.171 1.00 0.26 N ATOM 2017 CA VAL B 25 6.181 1.501 8.536 1.00 0.27 C ATOM 2018 C VAL B 25 5.221 0.320 8.688 1.00 0.26 C ATOM 2019 O VAL B 25 4.203 0.423 9.376 1.00 0.25 O ATOM 2020 CB VAL B 25 7.569 1.142 9.128 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.409 0.363 8.123 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.307 2.400 9.571 1.00 0.78 C ATOM 0 H VAL B 25 5.767 2.732 10.179 1.00 0.26 H new ATOM 0 HA VAL B 25 6.318 1.721 7.477 1.00 0.27 H new ATOM 0 HB VAL B 25 7.406 0.508 10.000 1.00 0.34 H new ATOM 0 HG11 VAL B 25 9.377 0.125 8.565 1.00 0.74 H new ATOM 0 HG12 VAL B 25 7.894 -0.560 7.857 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.558 0.967 7.228 1.00 0.74 H new ATOM 0 HG21 VAL B 25 9.278 2.126 9.983 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.449 3.059 8.715 1.00 0.78 H new ATOM 0 HG23 VAL B 25 7.722 2.916 10.333 1.00 0.78 H new ATOM 2032 N ASP B 26 5.544 -0.791 8.043 1.00 0.27 N ATOM 2033 CA ASP B 26 4.713 -1.991 8.092 1.00 0.29 C ATOM 2034 C ASP B 26 4.821 -2.684 9.452 1.00 0.24 C ATOM 2035 O ASP B 26 5.485 -2.195 10.366 1.00 0.22 O ATOM 2036 CB ASP B 26 5.140 -2.958 6.986 1.00 0.39 C ATOM 2037 CG ASP B 26 3.994 -3.783 6.434 1.00 0.48 C ATOM 2038 OD1 ASP B 26 3.350 -4.522 7.209 1.00 0.72 O ATOM 2039 OD2 ASP B 26 3.745 -3.711 5.216 1.00 0.78 O ATOM 0 H ASP B 26 6.384 -0.889 7.473 1.00 0.27 H new ATOM 0 HA ASP B 26 3.675 -1.694 7.943 1.00 0.29 H new ATOM 0 HB2 ASP B 26 5.595 -2.391 6.173 1.00 0.39 H new ATOM 0 HB3 ASP B 26 5.906 -3.628 7.375 1.00 0.39 H new ATOM 2044 N HIS B 27 4.169 -3.829 9.573 1.00 0.26 N ATOM 2045 CA HIS B 27 4.180 -4.604 10.805 1.00 0.26 C ATOM 2046 C HIS B 27 4.891 -5.931 10.586 1.00 0.23 C ATOM 2047 O HIS B 27 4.874 -6.815 11.443 1.00 0.26 O ATOM 2048 CB HIS B 27 2.750 -4.852 11.289 1.00 0.34 C ATOM 2049 CG HIS B 27 2.108 -3.652 11.910 1.00 0.50 C ATOM 2050 ND1 HIS B 27 0.756 -3.400 11.842 1.00 0.70 N ATOM 2051 CD2 HIS B 27 2.641 -2.636 12.622 1.00 0.66 C ATOM 2052 CE1 HIS B 27 0.488 -2.280 12.482 1.00 0.86 C ATOM 2053 NE2 HIS B 27 1.614 -1.795 12.968 1.00 0.83 N ATOM 0 H HIS B 27 3.619 -4.247 8.823 1.00 0.26 H new ATOM 0 HA HIS B 27 4.716 -4.037 11.566 1.00 0.26 H new ATOM 0 HB2 HIS B 27 2.143 -5.182 10.446 1.00 0.34 H new ATOM 0 HB3 HIS B 27 2.757 -5.665 12.015 1.00 0.34 H new ATOM 0 HD2 HIS B 27 3.684 -2.509 12.873 1.00 0.66 H new ATOM 0 HE1 HIS B 27 -0.490 -1.834 12.590 1.00 0.86 H new ATOM 0 HE2 HIS B 27 1.706 -0.937 13.511 1.00 0.83 H new ATOM 2062 N ARG B 28 5.516 -6.062 9.428 1.00 0.24 N ATOM 2063 CA ARG B 28 6.230 -7.282 9.076 1.00 0.27 C ATOM 2064 C ARG B 28 7.561 -6.954 8.403 1.00 0.24 C ATOM 2065 O ARG B 28 8.099 -7.752 7.637 1.00 0.28 O ATOM 2066 CB ARG B 28 5.364 -8.140 8.152 1.00 0.35 C ATOM 2067 CG ARG B 28 4.892 -7.405 6.910 1.00 0.48 C ATOM 2068 CD ARG B 28 3.744 -8.133 6.234 1.00 0.56 C ATOM 2069 NE ARG B 28 3.990 -8.326 4.810 1.00 0.99 N ATOM 2070 CZ ARG B 28 3.178 -8.985 3.992 1.00 1.26 C ATOM 2071 NH1 ARG B 28 2.037 -9.500 4.440 1.00 1.61 N ATOM 2072 NH2 ARG B 28 3.510 -9.119 2.718 1.00 1.87 N ATOM 0 H ARG B 28 5.544 -5.336 8.712 1.00 0.24 H new ATOM 0 HA ARG B 28 6.440 -7.840 9.988 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.931 -9.021 7.850 1.00 0.35 H new ATOM 0 HB3 ARG B 28 4.495 -8.495 8.707 1.00 0.35 H new ATOM 0 HG2 ARG B 28 4.576 -6.397 7.180 1.00 0.48 H new ATOM 0 HG3 ARG B 28 5.721 -7.302 6.210 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.596 -9.101 6.712 1.00 0.56 H new ATOM 0 HD3 ARG B 28 2.823 -7.566 6.370 1.00 0.56 H new ATOM 0 HE ARG B 28 4.843 -7.928 4.416 1.00 0.99 H new ATOM 0 HH11 ARG B 28 1.778 -9.391 5.421 1.00 1.61 H new ATOM 0 HH12 ARG B 28 1.420 -10.004 3.803 1.00 1.61 H new ATOM 0 HH21 ARG B 28 4.382 -8.718 2.373 1.00 1.87 H new ATOM 0 HH22 ARG B 28 2.894 -9.623 2.081 1.00 1.87 H new ATOM 2086 N CYS B 29 8.096 -5.781 8.718 1.00 0.21 N ATOM 2087 CA CYS B 29 9.359 -5.334 8.143 1.00 0.22 C ATOM 2088 C CYS B 29 10.523 -6.180 8.653 1.00 0.22 C ATOM 2089 O CYS B 29 11.558 -6.299 7.990 1.00 0.25 O ATOM 2090 CB CYS B 29 9.592 -3.861 8.472 1.00 0.27 C ATOM 2091 SG CYS B 29 9.371 -3.467 10.221 1.00 1.34 S ATOM 0 H CYS B 29 7.674 -5.120 9.370 1.00 0.21 H new ATOM 0 HA CYS B 29 9.303 -5.453 7.061 1.00 0.22 H new ATOM 0 HB2 CYS B 29 10.603 -3.586 8.171 1.00 0.27 H new ATOM 0 HB3 CYS B 29 8.907 -3.253 7.882 1.00 0.27 H new ATOM 0 HG CYS B 29 10.525 -3.486 10.819 1.00 1.34 H new ATOM 2097 N VAL B 30 10.344 -6.779 9.826 1.00 0.24 N ATOM 2098 CA VAL B 30 11.370 -7.622 10.426 1.00 0.31 C ATOM 2099 C VAL B 30 11.579 -8.873 9.579 1.00 0.33 C ATOM 2100 O VAL B 30 12.702 -9.345 9.405 1.00 0.38 O ATOM 2101 CB VAL B 30 10.996 -8.034 11.866 1.00 0.39 C ATOM 2102 CG1 VAL B 30 12.206 -8.596 12.596 1.00 1.01 C ATOM 2103 CG2 VAL B 30 10.406 -6.857 12.629 1.00 0.92 C ATOM 0 H VAL B 30 9.493 -6.695 10.382 1.00 0.24 H new ATOM 0 HA VAL B 30 12.292 -7.042 10.465 1.00 0.31 H new ATOM 0 HB VAL B 30 10.238 -8.816 11.809 1.00 0.39 H new ATOM 0 HG11 VAL B 30 11.920 -8.880 13.609 1.00 1.01 H new ATOM 0 HG12 VAL B 30 12.577 -9.472 12.064 1.00 1.01 H new ATOM 0 HG13 VAL B 30 12.989 -7.839 12.639 1.00 1.01 H new ATOM 0 HG21 VAL B 30 10.150 -7.171 13.641 1.00 0.92 H new ATOM 0 HG22 VAL B 30 11.137 -6.049 12.674 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.508 -6.507 12.120 1.00 0.92 H new ATOM 2113 N ALA B 31 10.489 -9.382 9.026 1.00 0.34 N ATOM 2114 CA ALA B 31 10.536 -10.568 8.183 1.00 0.40 C ATOM 2115 C ALA B 31 11.089 -10.238 6.798 1.00 0.39 C ATOM 2116 O ALA B 31 11.318 -11.129 5.982 1.00 0.45 O ATOM 2117 CB ALA B 31 9.150 -11.181 8.064 1.00 0.46 C ATOM 0 H ALA B 31 9.555 -8.990 9.147 1.00 0.34 H new ATOM 0 HA ALA B 31 11.206 -11.290 8.650 1.00 0.40 H new ATOM 0 HB1 ALA B 31 9.197 -12.067 7.431 1.00 0.46 H new ATOM 0 HB2 ALA B 31 8.790 -11.461 9.054 1.00 0.46 H new ATOM 0 HB3 ALA B 31 8.468 -10.455 7.621 1.00 0.46 H new ATOM 2123 N THR B 32 11.295 -8.955 6.533 1.00 0.36 N ATOM 2124 CA THR B 32 11.820 -8.519 5.250 1.00 0.38 C ATOM 2125 C THR B 32 13.281 -8.081 5.366 1.00 0.42 C ATOM 2126 O THR B 32 14.169 -8.681 4.760 1.00 0.48 O ATOM 2127 CB THR B 32 10.984 -7.360 4.677 1.00 0.37 C ATOM 2128 OG1 THR B 32 9.588 -7.615 4.885 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.258 -7.177 3.190 1.00 0.44 C ATOM 0 H THR B 32 11.106 -8.199 7.191 1.00 0.36 H new ATOM 0 HA THR B 32 11.761 -9.372 4.573 1.00 0.38 H new ATOM 0 HB THR B 32 11.267 -6.444 5.196 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.371 -7.493 5.833 1.00 0.36 H new ATOM 0 HG21 THR B 32 10.656 -6.353 2.808 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.314 -6.955 3.039 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.000 -8.092 2.657 1.00 0.44 H new ATOM 2137 N VAL B 33 13.532 -7.046 6.160 1.00 0.42 N ATOM 2138 CA VAL B 33 14.887 -6.530 6.329 1.00 0.52 C ATOM 2139 C VAL B 33 15.395 -6.717 7.757 1.00 0.57 C ATOM 2140 O VAL B 33 16.597 -6.639 8.012 1.00 0.99 O ATOM 2141 CB VAL B 33 14.976 -5.035 5.948 1.00 0.56 C ATOM 2142 CG1 VAL B 33 14.793 -4.857 4.450 1.00 0.67 C ATOM 2143 CG2 VAL B 33 13.950 -4.211 6.716 1.00 0.51 C ATOM 0 H VAL B 33 12.819 -6.549 6.695 1.00 0.42 H new ATOM 0 HA VAL B 33 15.520 -7.108 5.655 1.00 0.52 H new ATOM 0 HB VAL B 33 15.968 -4.675 6.222 1.00 0.56 H new ATOM 0 HG11 VAL B 33 14.858 -3.798 4.199 1.00 0.67 H new ATOM 0 HG12 VAL B 33 15.573 -5.405 3.921 1.00 0.67 H new ATOM 0 HG13 VAL B 33 13.816 -5.240 4.155 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.036 -3.163 6.428 1.00 0.51 H new ATOM 0 HG22 VAL B 33 12.947 -4.570 6.484 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.132 -4.309 7.786 1.00 0.51 H new ATOM 2153 N GLY B 34 14.477 -6.950 8.686 1.00 0.36 N ATOM 2154 CA GLY B 34 14.857 -7.149 10.076 1.00 0.38 C ATOM 2155 C GLY B 34 14.826 -5.862 10.873 1.00 0.33 C ATOM 2156 O GLY B 34 14.877 -5.881 12.104 1.00 0.38 O ATOM 0 H GLY B 34 13.475 -7.005 8.504 1.00 0.36 H new ATOM 0 HA2 GLY B 34 14.183 -7.873 10.534 1.00 0.38 H new ATOM 0 HA3 GLY B 34 15.859 -7.575 10.118 1.00 0.38 H new ATOM 2160 N TYR B 35 14.740 -4.743 10.173 1.00 0.32 N ATOM 2161 CA TYR B 35 14.701 -3.437 10.816 1.00 0.31 C ATOM 2162 C TYR B 35 13.359 -3.210 11.497 1.00 0.29 C ATOM 2163 O TYR B 35 12.319 -3.663 11.015 1.00 0.35 O ATOM 2164 CB TYR B 35 14.953 -2.332 9.790 1.00 0.33 C ATOM 2165 CG TYR B 35 16.365 -1.802 9.803 1.00 0.30 C ATOM 2166 CD1 TYR B 35 16.749 -0.827 10.714 1.00 0.39 C ATOM 2167 CD2 TYR B 35 17.312 -2.272 8.905 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.038 -0.336 10.732 1.00 0.39 C ATOM 2169 CE2 TYR B 35 18.603 -1.786 8.917 1.00 0.30 C ATOM 2170 CZ TYR B 35 18.960 -0.819 9.832 1.00 0.30 C ATOM 2171 OH TYR B 35 20.246 -0.337 9.846 1.00 0.34 O ATOM 0 H TYR B 35 14.696 -4.712 9.154 1.00 0.32 H new ATOM 0 HA TYR B 35 15.486 -3.409 11.572 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.727 -2.715 8.795 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.264 -1.509 9.979 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.026 -0.447 11.421 1.00 0.39 H new ATOM 0 HD2 TYR B 35 17.035 -3.029 8.186 1.00 0.30 H new ATOM 0 HE1 TYR B 35 18.321 0.422 11.447 1.00 0.39 H new ATOM 0 HE2 TYR B 35 19.331 -2.161 8.213 1.00 0.30 H new ATOM 0 HH TYR B 35 20.866 -1.051 9.588 1.00 0.34 H new ATOM 2181 N GLN B 36 13.392 -2.522 12.627 1.00 0.30 N ATOM 2182 CA GLN B 36 12.180 -2.222 13.370 1.00 0.31 C ATOM 2183 C GLN B 36 11.540 -0.955 12.814 1.00 0.30 C ATOM 2184 O GLN B 36 12.244 -0.071 12.329 1.00 0.35 O ATOM 2185 CB GLN B 36 12.496 -2.043 14.858 1.00 0.40 C ATOM 2186 CG GLN B 36 13.296 -3.187 15.467 1.00 0.42 C ATOM 2187 CD GLN B 36 12.582 -4.520 15.374 1.00 0.81 C ATOM 2188 OE1 GLN B 36 11.790 -4.875 16.247 1.00 1.63 O ATOM 2189 NE2 GLN B 36 12.867 -5.274 14.326 1.00 1.29 N ATOM 0 H GLN B 36 14.247 -2.160 13.050 1.00 0.30 H new ATOM 0 HA GLN B 36 11.484 -3.054 13.263 1.00 0.31 H new ATOM 0 HB2 GLN B 36 13.051 -1.115 14.991 1.00 0.40 H new ATOM 0 HB3 GLN B 36 11.560 -1.936 15.407 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.259 -3.260 14.961 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.502 -2.963 16.514 1.00 0.42 H new ATOM 0 HE21 GLN B 36 13.529 -4.943 13.624 1.00 1.29 H new ATOM 0 HE22 GLN B 36 12.425 -6.187 14.219 1.00 1.29 H new ATOM 2198 N PRO B 37 10.205 -0.848 12.871 1.00 0.33 N ATOM 2199 CA PRO B 37 9.479 0.322 12.361 1.00 0.35 C ATOM 2200 C PRO B 37 9.994 1.634 12.950 1.00 0.31 C ATOM 2201 O PRO B 37 10.216 2.607 12.231 1.00 0.30 O ATOM 2202 CB PRO B 37 8.035 0.067 12.803 1.00 0.43 C ATOM 2203 CG PRO B 37 7.941 -1.411 12.958 1.00 0.49 C ATOM 2204 CD PRO B 37 9.293 -1.862 13.432 1.00 0.40 C ATOM 0 HA PRO B 37 9.596 0.432 11.283 1.00 0.35 H new ATOM 0 HB2 PRO B 37 7.812 0.578 13.739 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.324 0.433 12.063 1.00 0.43 H new ATOM 0 HG2 PRO B 37 7.166 -1.680 13.676 1.00 0.49 H new ATOM 0 HG3 PRO B 37 7.680 -1.887 12.013 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.348 -1.894 14.520 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.533 -2.862 13.071 1.00 0.40 H new ATOM 2212 N GLN B 38 10.212 1.639 14.259 1.00 0.33 N ATOM 2213 CA GLN B 38 10.693 2.825 14.961 1.00 0.35 C ATOM 2214 C GLN B 38 12.084 3.249 14.487 1.00 0.34 C ATOM 2215 O GLN B 38 12.475 4.404 14.653 1.00 0.33 O ATOM 2216 CB GLN B 38 10.705 2.582 16.471 1.00 0.46 C ATOM 2217 CG GLN B 38 9.325 2.659 17.105 1.00 0.57 C ATOM 2218 CD GLN B 38 8.620 1.316 17.176 1.00 1.14 C ATOM 2219 OE1 GLN B 38 8.879 0.417 16.374 1.00 2.03 O ATOM 2220 NE2 GLN B 38 7.716 1.174 18.134 1.00 1.34 N ATOM 0 H GLN B 38 10.062 0.829 14.861 1.00 0.33 H new ATOM 0 HA GLN B 38 10.004 3.638 14.731 1.00 0.35 H new ATOM 0 HB2 GLN B 38 11.134 1.600 16.670 1.00 0.46 H new ATOM 0 HB3 GLN B 38 11.356 3.317 16.945 1.00 0.46 H new ATOM 0 HG2 GLN B 38 9.418 3.066 18.112 1.00 0.57 H new ATOM 0 HG3 GLN B 38 8.709 3.355 16.535 1.00 0.57 H new ATOM 0 HE21 GLN B 38 7.531 1.943 18.778 1.00 1.34 H new ATOM 0 HE22 GLN B 38 7.205 0.296 18.227 1.00 1.34 H new ATOM 2229 N GLU B 39 12.818 2.325 13.879 1.00 0.39 N ATOM 2230 CA GLU B 39 14.159 2.623 13.389 1.00 0.44 C ATOM 2231 C GLU B 39 14.090 3.383 12.070 1.00 0.44 C ATOM 2232 O GLU B 39 15.018 4.102 11.707 1.00 0.53 O ATOM 2233 CB GLU B 39 14.972 1.340 13.213 1.00 0.55 C ATOM 2234 CG GLU B 39 14.944 0.433 14.428 1.00 0.59 C ATOM 2235 CD GLU B 39 16.040 -0.608 14.397 1.00 1.16 C ATOM 2236 OE1 GLU B 39 15.840 -1.682 13.791 1.00 1.69 O ATOM 2237 OE2 GLU B 39 17.112 -0.357 14.983 1.00 1.59 O ATOM 0 H GLU B 39 12.509 1.367 13.714 1.00 0.39 H new ATOM 0 HA GLU B 39 14.657 3.249 14.130 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.589 0.792 12.352 1.00 0.55 H new ATOM 0 HB3 GLU B 39 16.006 1.603 12.990 1.00 0.55 H new ATOM 0 HG2 GLU B 39 15.045 1.036 15.330 1.00 0.59 H new ATOM 0 HG3 GLU B 39 13.976 -0.065 14.484 1.00 0.59 H new ATOM 2244 N LEU B 40 12.981 3.223 11.362 1.00 0.41 N ATOM 2245 CA LEU B 40 12.784 3.899 10.086 1.00 0.44 C ATOM 2246 C LEU B 40 12.056 5.223 10.293 1.00 0.40 C ATOM 2247 O LEU B 40 12.186 6.148 9.493 1.00 0.45 O ATOM 2248 CB LEU B 40 11.989 3.012 9.119 1.00 0.50 C ATOM 2249 CG LEU B 40 12.795 1.934 8.382 1.00 0.53 C ATOM 2250 CD1 LEU B 40 14.091 2.507 7.831 1.00 1.10 C ATOM 2251 CD2 LEU B 40 13.077 0.751 9.293 1.00 1.24 C ATOM 0 H LEU B 40 12.202 2.630 11.649 1.00 0.41 H new ATOM 0 HA LEU B 40 13.764 4.097 9.652 1.00 0.44 H new ATOM 0 HB2 LEU B 40 11.191 2.523 9.678 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.512 3.653 8.377 1.00 0.50 H new ATOM 0 HG LEU B 40 12.195 1.582 7.543 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.644 1.723 7.313 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.865 3.313 7.133 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.695 2.896 8.651 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.649 0.000 8.748 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.649 1.086 10.158 1.00 1.24 H new ATOM 0 HD23 LEU B 40 12.135 0.317 9.627 1.00 1.24 H new ATOM 2263 N LEU B 41 11.291 5.304 11.376 1.00 0.34 N ATOM 2264 CA LEU B 41 10.530 6.507 11.699 1.00 0.34 C ATOM 2265 C LEU B 41 11.451 7.708 11.904 1.00 0.38 C ATOM 2266 O LEU B 41 12.265 7.732 12.830 1.00 0.43 O ATOM 2267 CB LEU B 41 9.686 6.275 12.955 1.00 0.29 C ATOM 2268 CG LEU B 41 8.540 5.276 12.793 1.00 0.28 C ATOM 2269 CD1 LEU B 41 7.855 5.029 14.126 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.540 5.779 11.764 1.00 0.30 C ATOM 0 H LEU B 41 11.181 4.546 12.049 1.00 0.34 H new ATOM 0 HA LEU B 41 9.872 6.724 10.857 1.00 0.34 H new ATOM 0 HB2 LEU B 41 10.340 5.927 13.754 1.00 0.29 H new ATOM 0 HB3 LEU B 41 9.271 7.230 13.276 1.00 0.29 H new ATOM 0 HG LEU B 41 8.953 4.331 12.440 1.00 0.28 H new ATOM 0 HD11 LEU B 41 7.042 4.315 13.991 1.00 0.30 H new ATOM 0 HD12 LEU B 41 8.577 4.626 14.837 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.454 5.968 14.508 1.00 0.30 H new ATOM 0 HD21 LEU B 41 6.730 5.057 11.660 1.00 0.30 H new ATOM 0 HD22 LEU B 41 7.133 6.736 12.090 1.00 0.30 H new ATOM 0 HD23 LEU B 41 8.039 5.905 10.803 1.00 0.30 H new ATOM 2282 N GLY B 42 11.326 8.694 11.026 1.00 0.43 N ATOM 2283 CA GLY B 42 12.144 9.888 11.122 1.00 0.51 C ATOM 2284 C GLY B 42 13.409 9.787 10.294 1.00 0.49 C ATOM 2285 O GLY B 42 14.185 10.740 10.206 1.00 0.53 O ATOM 0 H GLY B 42 10.670 8.688 10.245 1.00 0.43 H new ATOM 0 HA2 GLY B 42 11.564 10.750 10.792 1.00 0.51 H new ATOM 0 HA3 GLY B 42 12.408 10.062 12.165 1.00 0.51 H new ATOM 2289 N LYS B 43 13.616 8.631 9.687 1.00 0.46 N ATOM 2290 CA LYS B 43 14.790 8.398 8.867 1.00 0.47 C ATOM 2291 C LYS B 43 14.424 8.407 7.392 1.00 0.40 C ATOM 2292 O LYS B 43 13.251 8.297 7.033 1.00 0.50 O ATOM 2293 CB LYS B 43 15.434 7.060 9.235 1.00 0.57 C ATOM 2294 CG LYS B 43 16.113 7.056 10.597 1.00 0.73 C ATOM 2295 CD LYS B 43 17.486 7.705 10.539 1.00 0.81 C ATOM 2296 CE LYS B 43 17.404 9.210 10.747 1.00 1.70 C ATOM 2297 NZ LYS B 43 18.463 9.926 9.992 1.00 2.45 N ATOM 0 H LYS B 43 12.981 7.835 9.748 1.00 0.46 H new ATOM 0 HA LYS B 43 15.503 9.201 9.054 1.00 0.47 H new ATOM 0 HB2 LYS B 43 14.669 6.283 9.219 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.169 6.800 8.473 1.00 0.57 H new ATOM 0 HG2 LYS B 43 15.489 7.586 11.317 1.00 0.73 H new ATOM 0 HG3 LYS B 43 16.209 6.030 10.953 1.00 0.73 H new ATOM 0 HD2 LYS B 43 18.129 7.266 11.302 1.00 0.81 H new ATOM 0 HD3 LYS B 43 17.948 7.495 9.574 1.00 0.81 H new ATOM 0 HE2 LYS B 43 16.425 9.569 10.430 1.00 1.70 H new ATOM 0 HE3 LYS B 43 17.498 9.436 11.809 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 18.531 10.906 10.334 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 19.375 9.446 10.133 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 18.226 9.929 8.979 1.00 2.45 H new ATOM 2311 N ASN B 44 15.432 8.553 6.546 1.00 0.32 N ATOM 2312 CA ASN B 44 15.227 8.566 5.107 1.00 0.29 C ATOM 2313 C ASN B 44 15.539 7.192 4.537 1.00 0.28 C ATOM 2314 O ASN B 44 16.511 6.554 4.937 1.00 0.30 O ATOM 2315 CB ASN B 44 16.120 9.611 4.421 1.00 0.30 C ATOM 2316 CG ASN B 44 15.883 11.028 4.911 1.00 0.91 C ATOM 2317 OD1 ASN B 44 16.397 11.430 5.955 1.00 1.92 O ATOM 2318 ND2 ASN B 44 15.124 11.806 4.150 1.00 0.70 N ATOM 0 H ASN B 44 16.404 8.665 6.833 1.00 0.32 H new ATOM 0 HA ASN B 44 14.186 8.827 4.918 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.165 9.348 4.586 1.00 0.30 H new ATOM 0 HB3 ASN B 44 15.948 9.574 3.345 1.00 0.30 H new ATOM 0 HD21 ASN B 44 14.949 12.773 4.424 1.00 0.70 H new ATOM 0 HD22 ASN B 44 14.715 11.437 3.291 1.00 0.70 H new ATOM 2325 N ILE B 45 14.719 6.736 3.601 1.00 0.25 N ATOM 2326 CA ILE B 45 14.922 5.434 2.970 1.00 0.25 C ATOM 2327 C ILE B 45 16.272 5.380 2.245 1.00 0.24 C ATOM 2328 O ILE B 45 16.859 4.314 2.073 1.00 0.31 O ATOM 2329 CB ILE B 45 13.773 5.113 1.981 1.00 0.25 C ATOM 2330 CG1 ILE B 45 13.946 3.719 1.367 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.689 6.173 0.894 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.751 3.259 0.557 1.00 0.28 C ATOM 0 H ILE B 45 13.905 7.247 3.259 1.00 0.25 H new ATOM 0 HA ILE B 45 14.922 4.681 3.758 1.00 0.25 H new ATOM 0 HB ILE B 45 12.837 5.119 2.540 1.00 0.25 H new ATOM 0 HG12 ILE B 45 14.829 3.720 0.728 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.131 3.000 2.165 1.00 0.27 H new ATOM 0 HG21 ILE B 45 12.876 5.929 0.210 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.501 7.146 1.348 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.629 6.205 0.343 1.00 0.24 H new ATOM 0 HD11 ILE B 45 12.946 2.265 0.154 1.00 0.28 H new ATOM 0 HD12 ILE B 45 11.869 3.225 1.197 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.577 3.956 -0.263 1.00 0.28 H new ATOM 2344 N VAL B 46 16.777 6.546 1.862 1.00 0.21 N ATOM 2345 CA VAL B 46 18.048 6.641 1.156 1.00 0.23 C ATOM 2346 C VAL B 46 19.234 6.458 2.114 1.00 0.23 C ATOM 2347 O VAL B 46 20.355 6.187 1.683 1.00 0.29 O ATOM 2348 CB VAL B 46 18.160 7.993 0.412 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.316 9.144 1.394 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.301 7.975 -0.598 1.00 1.15 C ATOM 0 H VAL B 46 16.323 7.444 2.030 1.00 0.21 H new ATOM 0 HA VAL B 46 18.080 5.835 0.423 1.00 0.23 H new ATOM 0 HB VAL B 46 17.233 8.146 -0.140 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.393 10.083 0.845 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.449 9.179 2.054 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.218 8.996 1.988 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.354 8.939 -1.104 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.242 7.785 -0.081 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.125 7.189 -1.332 1.00 1.15 H new ATOM 2360 N GLU B 47 18.976 6.578 3.416 1.00 0.23 N ATOM 2361 CA GLU B 47 20.024 6.426 4.423 1.00 0.27 C ATOM 2362 C GLU B 47 20.316 4.949 4.665 1.00 0.25 C ATOM 2363 O GLU B 47 21.336 4.588 5.251 1.00 0.35 O ATOM 2364 CB GLU B 47 19.614 7.100 5.737 1.00 0.34 C ATOM 2365 CG GLU B 47 19.258 8.568 5.581 1.00 0.42 C ATOM 2366 CD GLU B 47 18.964 9.248 6.904 1.00 1.07 C ATOM 2367 OE1 GLU B 47 17.920 8.950 7.517 1.00 1.96 O ATOM 2368 OE2 GLU B 47 19.775 10.092 7.337 1.00 1.06 O ATOM 0 H GLU B 47 18.052 6.780 3.797 1.00 0.23 H new ATOM 0 HA GLU B 47 20.927 6.910 4.051 1.00 0.27 H new ATOM 0 HB2 GLU B 47 18.759 6.570 6.156 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.430 7.007 6.454 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.080 9.086 5.087 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.388 8.659 4.931 1.00 0.42 H new ATOM 2375 N PHE B 48 19.404 4.103 4.216 1.00 0.22 N ATOM 2376 CA PHE B 48 19.551 2.664 4.364 1.00 0.26 C ATOM 2377 C PHE B 48 19.598 2.018 2.989 1.00 0.26 C ATOM 2378 O PHE B 48 19.224 0.857 2.814 1.00 0.33 O ATOM 2379 CB PHE B 48 18.393 2.087 5.181 1.00 0.32 C ATOM 2380 CG PHE B 48 18.245 2.710 6.541 1.00 0.35 C ATOM 2381 CD1 PHE B 48 18.950 2.216 7.626 1.00 0.40 C ATOM 2382 CD2 PHE B 48 17.405 3.794 6.729 1.00 0.39 C ATOM 2383 CE1 PHE B 48 18.820 2.794 8.875 1.00 0.45 C ATOM 2384 CE2 PHE B 48 17.270 4.375 7.975 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.978 3.874 9.049 1.00 0.46 C ATOM 0 H PHE B 48 18.548 4.391 3.742 1.00 0.22 H new ATOM 0 HA PHE B 48 20.480 2.453 4.895 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.465 2.223 4.626 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.541 1.013 5.297 1.00 0.32 H new ATOM 0 HD1 PHE B 48 19.608 1.370 7.495 1.00 0.40 H new ATOM 0 HD2 PHE B 48 16.849 4.190 5.892 1.00 0.39 H new ATOM 0 HE1 PHE B 48 19.376 2.401 9.713 1.00 0.45 H new ATOM 0 HE2 PHE B 48 16.611 5.220 8.109 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.873 4.326 10.024 1.00 0.46 H new ATOM 2395 N CYS B 49 20.058 2.788 2.017 1.00 0.23 N ATOM 2396 CA CYS B 49 20.152 2.319 0.649 1.00 0.28 C ATOM 2397 C CYS B 49 21.604 2.283 0.190 1.00 0.30 C ATOM 2398 O CYS B 49 22.435 3.064 0.659 1.00 0.38 O ATOM 2399 CB CYS B 49 19.328 3.224 -0.273 1.00 0.31 C ATOM 2400 SG CYS B 49 19.309 2.702 -2.005 1.00 1.17 S ATOM 0 H CYS B 49 20.374 3.748 2.154 1.00 0.23 H new ATOM 0 HA CYS B 49 19.753 1.306 0.602 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.303 3.260 0.095 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.723 4.238 -0.216 1.00 0.31 H new ATOM 0 HG CYS B 49 18.475 1.716 -2.152 1.00 1.17 H new ATOM 2406 N HIS B 50 21.890 1.355 -0.714 1.00 0.32 N ATOM 2407 CA HIS B 50 23.223 1.180 -1.277 1.00 0.38 C ATOM 2408 C HIS B 50 23.692 2.487 -1.916 1.00 0.32 C ATOM 2409 O HIS B 50 22.960 3.080 -2.699 1.00 0.31 O ATOM 2410 CB HIS B 50 23.161 0.057 -2.318 1.00 0.54 C ATOM 2411 CG HIS B 50 24.483 -0.485 -2.754 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.740 -0.838 -4.057 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.607 -0.772 -2.059 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.963 -1.321 -4.147 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.513 -1.290 -2.948 1.00 1.08 N ATOM 0 H HIS B 50 21.200 0.699 -1.079 1.00 0.32 H new ATOM 0 HA HIS B 50 23.935 0.914 -0.496 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.568 -0.762 -1.910 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.631 0.427 -3.196 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.086 -0.741 -4.834 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.762 -0.621 -1.001 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.435 -1.681 -5.049 1.00 0.87 H new ATOM 2424 N PRO B 51 24.903 2.964 -1.571 1.00 0.35 N ATOM 2425 CA PRO B 51 25.458 4.214 -2.114 1.00 0.38 C ATOM 2426 C PRO B 51 25.307 4.339 -3.630 1.00 0.36 C ATOM 2427 O PRO B 51 24.834 5.359 -4.130 1.00 0.46 O ATOM 2428 CB PRO B 51 26.932 4.135 -1.724 1.00 0.47 C ATOM 2429 CG PRO B 51 26.940 3.339 -0.468 1.00 0.72 C ATOM 2430 CD PRO B 51 25.822 2.337 -0.600 1.00 0.44 C ATOM 0 HA PRO B 51 24.936 5.087 -1.723 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.524 3.654 -2.503 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.356 5.127 -1.568 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.898 2.838 -0.331 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.788 3.980 0.400 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.187 1.374 -0.958 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.331 2.156 0.356 1.00 0.44 H new ATOM 2438 N GLU B 52 25.688 3.294 -4.357 1.00 0.37 N ATOM 2439 CA GLU B 52 25.598 3.288 -5.818 1.00 0.38 C ATOM 2440 C GLU B 52 24.153 3.156 -6.302 1.00 0.37 C ATOM 2441 O GLU B 52 23.891 3.133 -7.507 1.00 0.40 O ATOM 2442 CB GLU B 52 26.441 2.150 -6.400 1.00 0.45 C ATOM 2443 CG GLU B 52 27.878 2.137 -5.905 1.00 0.78 C ATOM 2444 CD GLU B 52 28.075 1.225 -4.714 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.504 1.501 -3.639 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.801 0.220 -4.844 1.00 1.70 O ATOM 0 H GLU B 52 26.065 2.434 -3.958 1.00 0.37 H new ATOM 0 HA GLU B 52 25.984 4.246 -6.168 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.972 1.198 -6.150 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.442 2.230 -7.487 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.534 1.818 -6.715 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.174 3.151 -5.635 1.00 0.78 H new ATOM 2453 N ASP B 53 23.221 3.066 -5.366 1.00 0.36 N ATOM 2454 CA ASP B 53 21.806 2.941 -5.694 1.00 0.37 C ATOM 2455 C ASP B 53 21.013 4.095 -5.091 1.00 0.38 C ATOM 2456 O ASP B 53 19.799 4.189 -5.275 1.00 0.42 O ATOM 2457 CB ASP B 53 21.247 1.612 -5.177 1.00 0.47 C ATOM 2458 CG ASP B 53 21.710 0.423 -5.991 1.00 0.48 C ATOM 2459 OD1 ASP B 53 21.167 0.204 -7.093 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.612 -0.310 -5.529 1.00 1.10 O ATOM 0 H ASP B 53 23.419 3.077 -4.366 1.00 0.36 H new ATOM 0 HA ASP B 53 21.709 2.969 -6.779 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.550 1.475 -4.139 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.158 1.652 -5.189 1.00 0.47 H new ATOM 2465 N GLN B 54 21.707 4.977 -4.376 1.00 0.41 N ATOM 2466 CA GLN B 54 21.070 6.121 -3.730 1.00 0.47 C ATOM 2467 C GLN B 54 20.474 7.066 -4.764 1.00 0.50 C ATOM 2468 O GLN B 54 19.338 7.524 -4.618 1.00 0.53 O ATOM 2469 CB GLN B 54 22.075 6.865 -2.847 1.00 0.56 C ATOM 2470 CG GLN B 54 22.460 6.101 -1.591 1.00 0.65 C ATOM 2471 CD GLN B 54 23.462 6.846 -0.731 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.278 7.619 -1.233 1.00 1.10 O ATOM 2473 NE2 GLN B 54 23.413 6.615 0.571 1.00 0.80 N ATOM 0 H GLN B 54 22.715 4.921 -4.229 1.00 0.41 H new ATOM 0 HA GLN B 54 20.261 5.748 -3.102 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.974 7.071 -3.428 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.653 7.828 -2.562 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.563 5.901 -1.004 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.878 5.135 -1.873 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.722 5.967 0.948 1.00 0.80 H new ATOM 0 HE22 GLN B 54 24.067 7.085 1.197 1.00 0.80 H new ATOM 2482 N GLN B 55 21.235 7.345 -5.814 1.00 0.54 N ATOM 2483 CA GLN B 55 20.765 8.226 -6.870 1.00 0.61 C ATOM 2484 C GLN B 55 19.614 7.564 -7.620 1.00 0.52 C ATOM 2485 O GLN B 55 18.612 8.207 -7.925 1.00 0.52 O ATOM 2486 CB GLN B 55 21.911 8.577 -7.827 1.00 0.76 C ATOM 2487 CG GLN B 55 21.482 9.408 -9.028 1.00 1.33 C ATOM 2488 CD GLN B 55 20.732 10.669 -8.641 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.995 11.274 -7.602 1.00 2.72 O ATOM 2490 NE2 GLN B 55 19.786 11.069 -9.472 1.00 1.51 N ATOM 0 H GLN B 55 22.175 6.975 -5.955 1.00 0.54 H new ATOM 0 HA GLN B 55 20.404 9.153 -6.425 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.677 9.122 -7.276 1.00 0.76 H new ATOM 0 HB3 GLN B 55 22.370 7.654 -8.182 1.00 0.76 H new ATOM 0 HG2 GLN B 55 22.364 9.680 -9.608 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.850 8.801 -9.676 1.00 1.33 H new ATOM 0 HE21 GLN B 55 19.598 10.540 -10.324 1.00 1.51 H new ATOM 0 HE22 GLN B 55 19.244 11.907 -9.262 1.00 1.51 H new ATOM 2499 N LEU B 56 19.763 6.271 -7.886 1.00 0.51 N ATOM 2500 CA LEU B 56 18.746 5.495 -8.584 1.00 0.51 C ATOM 2501 C LEU B 56 17.413 5.561 -7.843 1.00 0.42 C ATOM 2502 O LEU B 56 16.360 5.749 -8.454 1.00 0.42 O ATOM 2503 CB LEU B 56 19.196 4.036 -8.720 1.00 0.60 C ATOM 2504 CG LEU B 56 18.185 3.099 -9.386 1.00 0.63 C ATOM 2505 CD1 LEU B 56 18.084 3.383 -10.876 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.560 1.645 -9.145 1.00 1.42 C ATOM 0 H LEU B 56 20.589 5.733 -7.625 1.00 0.51 H new ATOM 0 HA LEU B 56 18.612 5.922 -9.578 1.00 0.51 H new ATOM 0 HB2 LEU B 56 20.123 4.011 -9.294 1.00 0.60 H new ATOM 0 HB3 LEU B 56 19.425 3.650 -7.727 1.00 0.60 H new ATOM 0 HG LEU B 56 17.209 3.282 -8.937 1.00 0.63 H new ATOM 0 HD11 LEU B 56 17.360 2.705 -11.327 1.00 1.29 H new ATOM 0 HD12 LEU B 56 17.761 4.413 -11.029 1.00 1.29 H new ATOM 0 HD13 LEU B 56 19.058 3.235 -11.341 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.829 0.996 -9.627 1.00 1.42 H new ATOM 0 HD22 LEU B 56 19.548 1.450 -9.562 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.572 1.445 -8.074 1.00 1.42 H new ATOM 2518 N LEU B 57 17.468 5.410 -6.526 1.00 0.40 N ATOM 2519 CA LEU B 57 16.270 5.457 -5.698 1.00 0.39 C ATOM 2520 C LEU B 57 15.598 6.824 -5.805 1.00 0.37 C ATOM 2521 O LEU B 57 14.405 6.919 -6.095 1.00 0.39 O ATOM 2522 CB LEU B 57 16.616 5.166 -4.235 1.00 0.48 C ATOM 2523 CG LEU B 57 15.855 4.000 -3.595 1.00 0.60 C ATOM 2524 CD1 LEU B 57 16.000 4.042 -2.082 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.385 4.027 -3.988 1.00 1.15 C ATOM 0 H LEU B 57 18.332 5.253 -6.007 1.00 0.40 H new ATOM 0 HA LEU B 57 15.580 4.694 -6.058 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.684 4.961 -4.167 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.426 6.066 -3.649 1.00 0.48 H new ATOM 0 HG LEU B 57 16.287 3.069 -3.963 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.454 3.208 -1.641 1.00 1.01 H new ATOM 0 HD12 LEU B 57 17.054 3.968 -1.815 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.596 4.981 -1.704 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.868 3.189 -3.520 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.936 4.962 -3.654 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.297 3.949 -5.072 1.00 1.15 H new ATOM 2537 N ARG B 58 16.377 7.878 -5.584 1.00 0.42 N ATOM 2538 CA ARG B 58 15.864 9.245 -5.650 1.00 0.50 C ATOM 2539 C ARG B 58 15.319 9.552 -7.041 1.00 0.44 C ATOM 2540 O ARG B 58 14.250 10.148 -7.186 1.00 0.44 O ATOM 2541 CB ARG B 58 16.967 10.245 -5.297 1.00 0.65 C ATOM 2542 CG ARG B 58 16.494 11.689 -5.271 1.00 1.08 C ATOM 2543 CD ARG B 58 17.665 12.656 -5.279 1.00 1.12 C ATOM 2544 NE ARG B 58 17.224 14.049 -5.288 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.002 15.077 -5.618 1.00 2.21 C ATOM 2546 NH1 ARG B 58 19.269 14.873 -5.951 1.00 1.97 N ATOM 2547 NH2 ARG B 58 17.513 16.308 -5.600 1.00 3.01 N ATOM 0 H ARG B 58 17.369 7.813 -5.357 1.00 0.42 H new ATOM 0 HA ARG B 58 15.053 9.336 -4.928 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.379 9.989 -4.321 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.777 10.150 -6.020 1.00 0.65 H new ATOM 0 HG2 ARG B 58 15.856 11.880 -6.134 1.00 1.08 H new ATOM 0 HG3 ARG B 58 15.886 11.858 -4.382 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.288 12.478 -4.402 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.286 12.467 -6.155 1.00 1.12 H new ATOM 0 HE ARG B 58 16.258 14.246 -5.025 1.00 1.90 H new ATOM 0 HH11 ARG B 58 19.649 13.927 -5.955 1.00 1.97 H new ATOM 0 HH12 ARG B 58 19.863 15.662 -6.204 1.00 1.97 H new ATOM 0 HH21 ARG B 58 16.541 16.467 -5.333 1.00 3.01 H new ATOM 0 HH22 ARG B 58 18.108 17.097 -5.853 1.00 3.01 H new ATOM 2561 N ASP B 59 16.059 9.124 -8.055 1.00 0.42 N ATOM 2562 CA ASP B 59 15.679 9.339 -9.447 1.00 0.43 C ATOM 2563 C ASP B 59 14.343 8.674 -9.756 1.00 0.37 C ATOM 2564 O ASP B 59 13.522 9.217 -10.495 1.00 0.39 O ATOM 2565 CB ASP B 59 16.765 8.789 -10.374 1.00 0.49 C ATOM 2566 CG ASP B 59 16.466 9.019 -11.838 1.00 0.58 C ATOM 2567 OD1 ASP B 59 16.162 10.168 -12.216 1.00 0.76 O ATOM 2568 OD2 ASP B 59 16.565 8.054 -12.626 1.00 0.78 O ATOM 0 H ASP B 59 16.938 8.619 -7.938 1.00 0.42 H new ATOM 0 HA ASP B 59 15.573 10.411 -9.612 1.00 0.43 H new ATOM 0 HB2 ASP B 59 17.718 9.257 -10.126 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.879 7.720 -10.196 1.00 0.49 H new ATOM 2573 N SER B 60 14.126 7.498 -9.185 1.00 0.33 N ATOM 2574 CA SER B 60 12.884 6.766 -9.398 1.00 0.33 C ATOM 2575 C SER B 60 11.737 7.398 -8.608 1.00 0.28 C ATOM 2576 O SER B 60 10.587 7.393 -9.053 1.00 0.29 O ATOM 2577 CB SER B 60 13.061 5.300 -9.006 1.00 0.39 C ATOM 2578 OG SER B 60 14.179 4.732 -9.672 1.00 1.41 O ATOM 0 H SER B 60 14.793 7.030 -8.571 1.00 0.33 H new ATOM 0 HA SER B 60 12.633 6.817 -10.457 1.00 0.33 H new ATOM 0 HB2 SER B 60 13.196 5.221 -7.927 1.00 0.39 H new ATOM 0 HB3 SER B 60 12.160 4.740 -9.256 1.00 0.39 H new ATOM 0 HG SER B 60 15.003 5.141 -9.335 1.00 1.41 H new ATOM 2584 N PHE B 61 12.057 7.951 -7.443 1.00 0.30 N ATOM 2585 CA PHE B 61 11.057 8.597 -6.601 1.00 0.32 C ATOM 2586 C PHE B 61 10.438 9.788 -7.316 1.00 0.33 C ATOM 2587 O PHE B 61 9.219 9.917 -7.381 1.00 0.34 O ATOM 2588 CB PHE B 61 11.672 9.059 -5.279 1.00 0.39 C ATOM 2589 CG PHE B 61 11.749 7.982 -4.237 1.00 0.43 C ATOM 2590 CD1 PHE B 61 10.767 7.008 -4.157 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.802 7.943 -3.339 1.00 0.59 C ATOM 2592 CE1 PHE B 61 10.834 6.017 -3.200 1.00 0.70 C ATOM 2593 CE2 PHE B 61 12.874 6.954 -2.378 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.887 5.989 -2.309 1.00 0.60 C ATOM 0 H PHE B 61 13.002 7.965 -7.060 1.00 0.30 H new ATOM 0 HA PHE B 61 10.279 7.863 -6.392 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.675 9.440 -5.469 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.085 9.890 -4.887 1.00 0.39 H new ATOM 0 HD1 PHE B 61 9.940 7.025 -4.851 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.576 8.695 -3.391 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.062 5.263 -3.148 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.700 6.935 -1.682 1.00 0.65 H new ATOM 0 HZ PHE B 61 11.940 5.214 -1.559 1.00 0.60 H new ATOM 2604 N GLN B 62 11.283 10.653 -7.866 1.00 0.35 N ATOM 2605 CA GLN B 62 10.806 11.834 -8.576 1.00 0.41 C ATOM 2606 C GLN B 62 10.040 11.430 -9.833 1.00 0.37 C ATOM 2607 O GLN B 62 9.131 12.134 -10.273 1.00 0.40 O ATOM 2608 CB GLN B 62 11.974 12.759 -8.935 1.00 0.52 C ATOM 2609 CG GLN B 62 12.788 13.207 -7.730 1.00 0.79 C ATOM 2610 CD GLN B 62 11.944 13.862 -6.646 1.00 1.44 C ATOM 2611 OE1 GLN B 62 12.215 13.706 -5.454 1.00 2.08 O ATOM 2612 NE2 GLN B 62 10.927 14.615 -7.042 1.00 2.12 N ATOM 0 H GLN B 62 12.298 10.559 -7.834 1.00 0.35 H new ATOM 0 HA GLN B 62 10.128 12.377 -7.917 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.631 12.245 -9.636 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.586 13.639 -9.448 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.305 12.345 -7.308 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.555 13.909 -8.058 1.00 0.79 H new ATOM 0 HE21 GLN B 62 10.730 14.723 -8.037 1.00 2.12 H new ATOM 0 HE22 GLN B 62 10.342 15.086 -6.352 1.00 2.12 H new ATOM 2621 N GLN B 63 10.397 10.280 -10.394 1.00 0.34 N ATOM 2622 CA GLN B 63 9.738 9.776 -11.591 1.00 0.36 C ATOM 2623 C GLN B 63 8.297 9.383 -11.289 1.00 0.29 C ATOM 2624 O GLN B 63 7.389 9.688 -12.062 1.00 0.32 O ATOM 2625 CB GLN B 63 10.496 8.579 -12.158 1.00 0.44 C ATOM 2626 CG GLN B 63 11.626 8.963 -13.096 1.00 0.66 C ATOM 2627 CD GLN B 63 12.384 7.758 -13.606 1.00 0.76 C ATOM 2628 OE1 GLN B 63 12.038 7.182 -14.638 1.00 1.33 O ATOM 2629 NE2 GLN B 63 13.421 7.369 -12.889 1.00 1.23 N ATOM 0 H GLN B 63 11.140 9.679 -10.038 1.00 0.34 H new ATOM 0 HA GLN B 63 9.734 10.574 -12.334 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.903 7.994 -11.333 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.796 7.936 -12.691 1.00 0.44 H new ATOM 0 HG2 GLN B 63 11.220 9.519 -13.941 1.00 0.66 H new ATOM 0 HG3 GLN B 63 12.315 9.630 -12.577 1.00 0.66 H new ATOM 0 HE21 GLN B 63 13.673 7.875 -12.040 1.00 1.23 H new ATOM 0 HE22 GLN B 63 13.971 6.562 -13.184 1.00 1.23 H new ATOM 2638 N VAL B 64 8.087 8.714 -10.158 1.00 0.26 N ATOM 2639 CA VAL B 64 6.747 8.290 -9.774 1.00 0.26 C ATOM 2640 C VAL B 64 5.902 9.498 -9.369 1.00 0.26 C ATOM 2641 O VAL B 64 4.674 9.478 -9.491 1.00 0.28 O ATOM 2642 CB VAL B 64 6.770 7.235 -8.638 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.942 7.875 -7.267 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.511 6.385 -8.679 1.00 0.30 C ATOM 0 H VAL B 64 8.821 8.457 -9.498 1.00 0.26 H new ATOM 0 HA VAL B 64 6.294 7.815 -10.644 1.00 0.26 H new ATOM 0 HB VAL B 64 7.635 6.594 -8.805 1.00 0.28 H new ATOM 0 HG11 VAL B 64 6.953 7.099 -6.502 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.882 8.426 -7.238 1.00 0.31 H new ATOM 0 HG13 VAL B 64 6.115 8.559 -7.078 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.542 5.649 -7.875 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.637 7.023 -8.553 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.450 5.872 -9.639 1.00 0.30 H new ATOM 2654 N VAL B 65 6.571 10.553 -8.906 1.00 0.29 N ATOM 2655 CA VAL B 65 5.894 11.781 -8.504 1.00 0.33 C ATOM 2656 C VAL B 65 5.249 12.440 -9.718 1.00 0.37 C ATOM 2657 O VAL B 65 4.112 12.907 -9.656 1.00 0.45 O ATOM 2658 CB VAL B 65 6.870 12.774 -7.823 1.00 0.40 C ATOM 2659 CG1 VAL B 65 6.240 14.151 -7.672 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.303 12.247 -6.466 1.00 0.39 C ATOM 0 H VAL B 65 7.585 10.580 -8.800 1.00 0.29 H new ATOM 0 HA VAL B 65 5.125 11.516 -7.779 1.00 0.33 H new ATOM 0 HB VAL B 65 7.747 12.870 -8.463 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.949 14.825 -7.191 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.978 14.541 -8.656 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.341 14.075 -7.061 1.00 0.48 H new ATOM 0 HG21 VAL B 65 7.988 12.957 -6.002 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.428 12.118 -5.829 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.805 11.287 -6.591 1.00 0.39 H new ATOM 2670 N LYS B 66 5.976 12.438 -10.830 1.00 0.37 N ATOM 2671 CA LYS B 66 5.490 13.031 -12.073 1.00 0.45 C ATOM 2672 C LYS B 66 4.345 12.210 -12.658 1.00 0.41 C ATOM 2673 O LYS B 66 3.551 12.715 -13.455 1.00 0.49 O ATOM 2674 CB LYS B 66 6.632 13.134 -13.084 1.00 0.57 C ATOM 2675 CG LYS B 66 7.728 14.094 -12.656 1.00 0.74 C ATOM 2676 CD LYS B 66 9.011 13.859 -13.435 1.00 0.67 C ATOM 2677 CE LYS B 66 8.867 14.260 -14.893 1.00 1.44 C ATOM 2678 NZ LYS B 66 10.123 14.035 -15.654 1.00 2.19 N ATOM 0 H LYS B 66 6.909 12.030 -10.897 1.00 0.37 H new ATOM 0 HA LYS B 66 5.115 14.030 -11.852 1.00 0.45 H new ATOM 0 HB2 LYS B 66 7.064 12.145 -13.236 1.00 0.57 H new ATOM 0 HB3 LYS B 66 6.230 13.457 -14.044 1.00 0.57 H new ATOM 0 HG2 LYS B 66 7.393 15.120 -12.806 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.922 13.975 -11.590 1.00 0.74 H new ATOM 0 HD2 LYS B 66 9.822 14.428 -12.980 1.00 0.67 H new ATOM 0 HD3 LYS B 66 9.286 12.806 -13.373 1.00 0.67 H new ATOM 0 HE2 LYS B 66 8.059 13.689 -15.349 1.00 1.44 H new ATOM 0 HE3 LYS B 66 8.588 15.312 -14.955 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 9.985 14.321 -16.644 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 10.889 14.600 -15.235 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 10.376 13.027 -15.617 1.00 2.19 H new ATOM 2692 N LEU B 67 4.269 10.947 -12.259 1.00 0.39 N ATOM 2693 CA LEU B 67 3.219 10.057 -12.733 1.00 0.43 C ATOM 2694 C LEU B 67 1.920 10.320 -11.976 1.00 0.62 C ATOM 2695 O LEU B 67 0.897 10.632 -12.586 1.00 1.30 O ATOM 2696 CB LEU B 67 3.636 8.594 -12.557 1.00 0.59 C ATOM 2697 CG LEU B 67 4.823 8.142 -13.411 1.00 0.54 C ATOM 2698 CD1 LEU B 67 5.336 6.791 -12.937 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.423 8.070 -14.875 1.00 0.79 C ATOM 0 H LEU B 67 4.924 10.516 -11.607 1.00 0.39 H new ATOM 0 HA LEU B 67 3.058 10.251 -13.793 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.881 8.427 -11.508 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.781 7.960 -12.789 1.00 0.59 H new ATOM 0 HG LEU B 67 5.624 8.873 -13.304 1.00 0.54 H new ATOM 0 HD11 LEU B 67 6.180 6.485 -13.555 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.656 6.868 -11.898 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.540 6.051 -13.018 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.277 7.747 -15.470 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.607 7.357 -14.995 1.00 0.79 H new ATOM 0 HD23 LEU B 67 4.097 9.054 -15.212 1.00 0.79 H new ATOM 2711 N LYS B 68 1.982 10.201 -10.643 1.00 0.48 N ATOM 2712 CA LYS B 68 0.823 10.416 -9.765 1.00 0.55 C ATOM 2713 C LYS B 68 -0.247 9.345 -9.971 1.00 0.47 C ATOM 2714 O LYS B 68 -0.804 9.201 -11.061 1.00 0.50 O ATOM 2715 CB LYS B 68 0.220 11.810 -9.970 1.00 0.69 C ATOM 2716 CG LYS B 68 0.971 12.911 -9.243 1.00 0.56 C ATOM 2717 CD LYS B 68 0.440 14.281 -9.613 1.00 0.67 C ATOM 2718 CE LYS B 68 1.189 15.385 -8.882 1.00 0.69 C ATOM 2719 NZ LYS B 68 0.697 16.732 -9.266 1.00 1.04 N ATOM 0 H LYS B 68 2.836 9.953 -10.143 1.00 0.48 H new ATOM 0 HA LYS B 68 1.185 10.342 -8.739 1.00 0.55 H new ATOM 0 HB2 LYS B 68 0.203 12.036 -11.036 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -0.815 11.802 -9.630 1.00 0.69 H new ATOM 0 HG2 LYS B 68 0.883 12.764 -8.167 1.00 0.56 H new ATOM 0 HG3 LYS B 68 2.032 12.852 -9.487 1.00 0.56 H new ATOM 0 HD2 LYS B 68 0.531 14.429 -10.689 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.621 14.338 -9.372 1.00 0.67 H new ATOM 0 HE2 LYS B 68 1.077 15.250 -7.806 1.00 0.69 H new ATOM 0 HE3 LYS B 68 2.254 15.310 -9.103 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 1.184 17.454 -8.698 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 0.889 16.897 -10.275 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.327 16.789 -9.095 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.536 8.596 -8.915 1.00 0.50 N ATOM 2734 CA GLY B 69 -1.531 7.543 -9.006 1.00 0.59 C ATOM 2735 C GLY B 69 -0.999 6.331 -9.743 1.00 0.54 C ATOM 2736 O GLY B 69 -1.764 5.521 -10.271 1.00 0.57 O ATOM 0 H GLY B 69 -0.101 8.698 -7.998 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -1.844 7.251 -8.004 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.415 7.921 -9.519 1.00 0.59 H new ATOM 2740 N GLN B 70 0.318 6.210 -9.779 1.00 0.50 N ATOM 2741 CA GLN B 70 0.965 5.098 -10.451 1.00 0.46 C ATOM 2742 C GLN B 70 1.981 4.448 -9.523 1.00 0.38 C ATOM 2743 O GLN B 70 2.418 5.059 -8.547 1.00 0.37 O ATOM 2744 CB GLN B 70 1.649 5.582 -11.731 1.00 0.50 C ATOM 2745 CG GLN B 70 2.113 4.457 -12.640 1.00 1.31 C ATOM 2746 CD GLN B 70 0.989 3.505 -12.995 1.00 1.89 C ATOM 2747 OE1 GLN B 70 0.747 2.518 -12.295 1.00 2.68 O ATOM 2748 NE2 GLN B 70 0.294 3.799 -14.077 1.00 2.32 N ATOM 0 H GLN B 70 0.962 6.873 -9.348 1.00 0.50 H new ATOM 0 HA GLN B 70 0.210 4.358 -10.717 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.958 6.221 -12.282 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.508 6.198 -11.463 1.00 0.50 H new ATOM 0 HG2 GLN B 70 2.531 4.880 -13.554 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.914 3.904 -12.150 1.00 1.31 H new ATOM 0 HE21 GLN B 70 0.530 4.626 -14.626 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -0.479 3.199 -14.365 1.00 2.32 H new ATOM 2757 N VAL B 71 2.342 3.211 -9.823 1.00 0.36 N ATOM 2758 CA VAL B 71 3.306 2.480 -9.022 1.00 0.32 C ATOM 2759 C VAL B 71 4.564 2.184 -9.839 1.00 0.31 C ATOM 2760 O VAL B 71 4.503 1.555 -10.893 1.00 0.39 O ATOM 2761 CB VAL B 71 2.699 1.166 -8.465 1.00 0.38 C ATOM 2762 CG1 VAL B 71 2.085 0.322 -9.575 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.741 0.367 -7.694 1.00 1.35 C ATOM 0 H VAL B 71 1.978 2.691 -10.621 1.00 0.36 H new ATOM 0 HA VAL B 71 3.578 3.107 -8.173 1.00 0.32 H new ATOM 0 HB VAL B 71 1.901 1.441 -7.775 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.669 -0.591 -9.150 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.293 0.887 -10.066 1.00 1.28 H new ATOM 0 HG13 VAL B 71 2.853 0.065 -10.304 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.289 -0.549 -7.314 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.570 0.116 -8.356 1.00 1.35 H new ATOM 0 HG23 VAL B 71 4.111 0.962 -6.859 1.00 1.35 H new ATOM 2773 N LEU B 72 5.698 2.660 -9.356 1.00 0.27 N ATOM 2774 CA LEU B 72 6.968 2.450 -10.030 1.00 0.29 C ATOM 2775 C LEU B 72 7.871 1.576 -9.171 1.00 0.31 C ATOM 2776 O LEU B 72 8.202 1.935 -8.039 1.00 0.44 O ATOM 2777 CB LEU B 72 7.649 3.790 -10.314 1.00 0.35 C ATOM 2778 CG LEU B 72 8.879 3.717 -11.222 1.00 0.44 C ATOM 2779 CD1 LEU B 72 8.475 3.336 -12.638 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.619 5.048 -11.218 1.00 1.05 C ATOM 0 H LEU B 72 5.765 3.199 -8.493 1.00 0.27 H new ATOM 0 HA LEU B 72 6.783 1.947 -10.979 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.920 4.460 -10.770 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.944 4.238 -9.365 1.00 0.35 H new ATOM 0 HG LEU B 72 9.548 2.947 -10.838 1.00 0.44 H new ATOM 0 HD11 LEU B 72 9.362 3.289 -13.269 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.985 2.362 -12.627 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.787 4.083 -13.034 1.00 1.37 H new ATOM 0 HD21 LEU B 72 10.491 4.981 -11.868 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.956 5.834 -11.580 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.940 5.283 -10.203 1.00 1.05 H new ATOM 2792 N SER B 73 8.249 0.425 -9.698 1.00 0.27 N ATOM 2793 CA SER B 73 9.108 -0.493 -8.976 1.00 0.33 C ATOM 2794 C SER B 73 10.572 -0.245 -9.319 1.00 0.28 C ATOM 2795 O SER B 73 10.944 -0.175 -10.491 1.00 0.31 O ATOM 2796 CB SER B 73 8.718 -1.938 -9.294 1.00 0.48 C ATOM 2797 OG SER B 73 7.339 -2.164 -9.029 1.00 1.38 O ATOM 0 H SER B 73 7.973 0.104 -10.626 1.00 0.27 H new ATOM 0 HA SER B 73 8.978 -0.323 -7.907 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.931 -2.154 -10.341 1.00 0.48 H new ATOM 0 HB3 SER B 73 9.323 -2.621 -8.698 1.00 0.48 H new ATOM 0 HG SER B 73 7.113 -3.094 -9.241 1.00 1.38 H new ATOM 2803 N VAL B 74 11.388 -0.087 -8.292 1.00 0.29 N ATOM 2804 CA VAL B 74 12.810 0.150 -8.471 1.00 0.28 C ATOM 2805 C VAL B 74 13.609 -1.009 -7.881 1.00 0.23 C ATOM 2806 O VAL B 74 13.381 -1.421 -6.743 1.00 0.24 O ATOM 2807 CB VAL B 74 13.244 1.497 -7.839 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.714 1.638 -6.420 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.759 1.656 -7.867 1.00 0.41 C ATOM 0 H VAL B 74 11.087 -0.119 -7.318 1.00 0.29 H new ATOM 0 HA VAL B 74 13.014 0.212 -9.540 1.00 0.28 H new ATOM 0 HB VAL B 74 12.809 2.295 -8.441 1.00 0.34 H new ATOM 0 HG11 VAL B 74 13.036 2.593 -6.005 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.625 1.596 -6.433 1.00 0.35 H new ATOM 0 HG13 VAL B 74 13.101 0.826 -5.805 1.00 0.35 H new ATOM 0 HG21 VAL B 74 15.033 2.610 -7.417 1.00 0.41 H new ATOM 0 HG22 VAL B 74 15.221 0.844 -7.305 1.00 0.41 H new ATOM 0 HG23 VAL B 74 15.109 1.628 -8.899 1.00 0.41 H new ATOM 2819 N MET B 75 14.521 -1.555 -8.673 1.00 0.21 N ATOM 2820 CA MET B 75 15.339 -2.676 -8.242 1.00 0.20 C ATOM 2821 C MET B 75 16.711 -2.194 -7.786 1.00 0.20 C ATOM 2822 O MET B 75 17.613 -1.973 -8.600 1.00 0.24 O ATOM 2823 CB MET B 75 15.475 -3.695 -9.377 1.00 0.26 C ATOM 2824 CG MET B 75 16.121 -5.005 -8.958 1.00 0.29 C ATOM 2825 SD MET B 75 16.210 -6.190 -10.313 1.00 0.41 S ATOM 2826 CE MET B 75 17.089 -7.541 -9.529 1.00 0.41 C ATOM 0 H MET B 75 14.712 -1.236 -9.623 1.00 0.21 H new ATOM 0 HA MET B 75 14.851 -3.160 -7.396 1.00 0.20 H new ATOM 0 HB2 MET B 75 14.486 -3.904 -9.784 1.00 0.26 H new ATOM 0 HB3 MET B 75 16.064 -3.252 -10.180 1.00 0.26 H new ATOM 0 HG2 MET B 75 17.126 -4.808 -8.584 1.00 0.29 H new ATOM 0 HG3 MET B 75 15.554 -5.440 -8.135 1.00 0.29 H new ATOM 0 HE1 MET B 75 16.729 -8.489 -9.928 1.00 0.41 H new ATOM 0 HE2 MET B 75 18.156 -7.445 -9.729 1.00 0.41 H new ATOM 0 HE3 MET B 75 16.917 -7.511 -8.453 1.00 0.41 H new ATOM 2836 N PHE B 76 16.857 -2.028 -6.484 1.00 0.21 N ATOM 2837 CA PHE B 76 18.107 -1.567 -5.902 1.00 0.23 C ATOM 2838 C PHE B 76 18.523 -2.484 -4.759 1.00 0.22 C ATOM 2839 O PHE B 76 17.912 -3.529 -4.541 1.00 0.21 O ATOM 2840 CB PHE B 76 17.952 -0.125 -5.401 1.00 0.26 C ATOM 2841 CG PHE B 76 16.937 0.033 -4.299 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.591 0.180 -4.591 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.332 0.033 -2.971 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.661 0.323 -3.582 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.405 0.176 -1.957 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.068 0.322 -2.263 1.00 0.38 C ATOM 0 H PHE B 76 16.119 -2.207 -5.803 1.00 0.21 H new ATOM 0 HA PHE B 76 18.884 -1.590 -6.666 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.919 0.231 -5.045 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.666 0.511 -6.239 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.266 0.183 -5.621 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.378 -0.080 -2.726 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.615 0.436 -3.824 1.00 0.37 H new ATOM 0 HE2 PHE B 76 16.727 0.173 -0.926 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.341 0.435 -1.472 1.00 0.38 H new ATOM 2856 N ARG B 77 19.560 -2.096 -4.036 1.00 0.25 N ATOM 2857 CA ARG B 77 20.037 -2.880 -2.910 1.00 0.25 C ATOM 2858 C ARG B 77 19.798 -2.123 -1.609 1.00 0.23 C ATOM 2859 O ARG B 77 20.325 -1.028 -1.408 1.00 0.26 O ATOM 2860 CB ARG B 77 21.520 -3.211 -3.079 1.00 0.30 C ATOM 2861 CG ARG B 77 21.776 -4.680 -3.377 1.00 0.48 C ATOM 2862 CD ARG B 77 23.208 -4.921 -3.822 1.00 0.63 C ATOM 2863 NE ARG B 77 23.477 -4.313 -5.123 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.645 -4.374 -5.754 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.673 -5.001 -5.209 1.00 1.59 N ATOM 2866 NH2 ARG B 77 24.785 -3.800 -6.938 1.00 2.97 N ATOM 0 H ARG B 77 20.088 -1.241 -4.209 1.00 0.25 H new ATOM 0 HA ARG B 77 19.483 -3.818 -2.873 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.931 -2.606 -3.887 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.054 -2.933 -2.170 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.566 -5.274 -2.487 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.091 -5.018 -4.155 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.894 -4.512 -3.080 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.398 -5.993 -3.875 1.00 0.63 H new ATOM 0 HE ARG B 77 22.717 -3.807 -5.578 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.574 -5.444 -4.296 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.565 -5.042 -5.702 1.00 1.59 H new ATOM 0 HH21 ARG B 77 23.997 -3.312 -7.365 1.00 2.97 H new ATOM 0 HH22 ARG B 77 25.681 -3.846 -7.424 1.00 2.97 H new ATOM 2880 N PHE B 78 18.992 -2.708 -0.741 1.00 0.24 N ATOM 2881 CA PHE B 78 18.659 -2.099 0.539 1.00 0.23 C ATOM 2882 C PHE B 78 19.544 -2.673 1.642 1.00 0.21 C ATOM 2883 O PHE B 78 20.069 -3.778 1.509 1.00 0.22 O ATOM 2884 CB PHE B 78 17.179 -2.351 0.852 1.00 0.27 C ATOM 2885 CG PHE B 78 16.600 -1.433 1.893 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.267 -0.127 1.574 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.382 -1.879 3.187 1.00 0.33 C ATOM 2888 CE1 PHE B 78 15.729 0.717 2.527 1.00 0.37 C ATOM 2889 CE2 PHE B 78 15.844 -1.040 4.143 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.516 0.260 3.813 1.00 0.33 C ATOM 0 H PHE B 78 18.551 -3.614 -0.900 1.00 0.24 H new ATOM 0 HA PHE B 78 18.834 -1.025 0.486 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.603 -2.247 -0.067 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.061 -3.381 1.188 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.429 0.236 0.570 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.636 -2.895 3.451 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.475 1.734 2.266 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.680 -1.400 5.148 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.094 0.918 4.558 1.00 0.33 H new ATOM 2900 N ARG B 79 19.714 -1.917 2.718 1.00 0.25 N ATOM 2901 CA ARG B 79 20.528 -2.357 3.841 1.00 0.26 C ATOM 2902 C ARG B 79 19.657 -3.029 4.897 1.00 0.26 C ATOM 2903 O ARG B 79 18.755 -2.408 5.459 1.00 0.36 O ATOM 2904 CB ARG B 79 21.272 -1.172 4.458 1.00 0.36 C ATOM 2905 CG ARG B 79 22.496 -1.573 5.262 1.00 0.33 C ATOM 2906 CD ARG B 79 23.242 -0.358 5.784 1.00 0.56 C ATOM 2907 NE ARG B 79 22.877 -0.039 7.163 1.00 1.04 N ATOM 2908 CZ ARG B 79 22.855 1.196 7.662 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.178 2.235 6.900 1.00 1.06 N ATOM 2910 NH2 ARG B 79 22.518 1.391 8.929 1.00 2.22 N ATOM 0 H ARG B 79 19.297 -0.993 2.836 1.00 0.25 H new ATOM 0 HA ARG B 79 21.258 -3.078 3.474 1.00 0.26 H new ATOM 0 HB2 ARG B 79 21.577 -0.492 3.663 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.588 -0.621 5.104 1.00 0.36 H new ATOM 0 HG2 ARG B 79 22.193 -2.202 6.099 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.162 -2.170 4.639 1.00 0.33 H new ATOM 0 HD2 ARG B 79 24.315 -0.540 5.726 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.029 0.499 5.146 1.00 0.56 H new ATOM 0 HE ARG B 79 22.623 -0.810 7.781 1.00 1.04 H new ATOM 0 HH11 ARG B 79 23.445 2.090 5.926 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.159 3.178 7.289 1.00 1.06 H new ATOM 0 HH21 ARG B 79 22.276 0.596 9.521 1.00 2.22 H new ATOM 0 HH22 ARG B 79 22.501 2.336 9.312 1.00 2.22 H new ATOM 2924 N SER B 80 19.922 -4.299 5.153 1.00 0.25 N ATOM 2925 CA SER B 80 19.164 -5.048 6.141 1.00 0.33 C ATOM 2926 C SER B 80 19.697 -4.777 7.545 1.00 0.32 C ATOM 2927 O SER B 80 20.634 -3.996 7.726 1.00 0.32 O ATOM 2928 CB SER B 80 19.242 -6.545 5.839 1.00 0.46 C ATOM 2929 OG SER B 80 20.526 -7.060 6.156 1.00 1.06 O ATOM 0 H SER B 80 20.657 -4.833 4.690 1.00 0.25 H new ATOM 0 HA SER B 80 18.124 -4.725 6.093 1.00 0.33 H new ATOM 0 HB2 SER B 80 18.482 -7.076 6.412 1.00 0.46 H new ATOM 0 HB3 SER B 80 19.026 -6.719 4.785 1.00 0.46 H new ATOM 0 HG SER B 80 20.561 -8.013 5.931 1.00 1.06 H new ATOM 2935 N LYS B 81 19.105 -5.438 8.534 1.00 0.35 N ATOM 2936 CA LYS B 81 19.520 -5.291 9.924 1.00 0.37 C ATOM 2937 C LYS B 81 20.944 -5.815 10.117 1.00 0.40 C ATOM 2938 O LYS B 81 21.621 -5.476 11.085 1.00 0.48 O ATOM 2939 CB LYS B 81 18.552 -6.053 10.835 1.00 0.41 C ATOM 2940 CG LYS B 81 18.743 -5.775 12.318 1.00 0.45 C ATOM 2941 CD LYS B 81 18.464 -4.321 12.653 1.00 0.47 C ATOM 2942 CE LYS B 81 18.573 -4.071 14.146 1.00 0.67 C ATOM 2943 NZ LYS B 81 18.428 -2.632 14.479 1.00 1.69 N ATOM 0 H LYS B 81 18.330 -6.086 8.396 1.00 0.35 H new ATOM 0 HA LYS B 81 19.504 -4.233 10.186 1.00 0.37 H new ATOM 0 HB2 LYS B 81 17.530 -5.795 10.557 1.00 0.41 H new ATOM 0 HB3 LYS B 81 18.670 -7.122 10.659 1.00 0.41 H new ATOM 0 HG2 LYS B 81 18.079 -6.417 12.898 1.00 0.45 H new ATOM 0 HG3 LYS B 81 19.763 -6.027 12.608 1.00 0.45 H new ATOM 0 HD2 LYS B 81 19.169 -3.681 12.122 1.00 0.47 H new ATOM 0 HD3 LYS B 81 17.466 -4.051 12.308 1.00 0.47 H new ATOM 0 HE2 LYS B 81 17.805 -4.643 14.667 1.00 0.67 H new ATOM 0 HE3 LYS B 81 19.537 -4.431 14.505 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 18.137 -2.533 15.473 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 19.338 -2.149 14.335 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 17.707 -2.204 13.863 1.00 1.69 H new ATOM 2957 N ASN B 82 21.392 -6.633 9.174 1.00 0.39 N ATOM 2958 CA ASN B 82 22.729 -7.206 9.227 1.00 0.45 C ATOM 2959 C ASN B 82 23.702 -6.352 8.429 1.00 0.43 C ATOM 2960 O ASN B 82 24.842 -6.752 8.194 1.00 0.50 O ATOM 2961 CB ASN B 82 22.722 -8.636 8.676 1.00 0.53 C ATOM 2962 CG ASN B 82 21.983 -9.608 9.578 1.00 0.95 C ATOM 2963 OD1 ASN B 82 21.959 -9.445 10.799 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.375 -10.626 8.985 1.00 0.81 N ATOM 0 H ASN B 82 20.846 -6.915 8.360 1.00 0.39 H new ATOM 0 HA ASN B 82 23.049 -7.231 10.269 1.00 0.45 H new ATOM 0 HB2 ASN B 82 22.259 -8.638 7.689 1.00 0.53 H new ATOM 0 HB3 ASN B 82 23.749 -8.976 8.547 1.00 0.53 H new ATOM 0 HD21 ASN B 82 20.864 -11.310 9.543 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.419 -10.725 7.971 1.00 0.81 H new ATOM 2971 N GLN B 83 23.234 -5.175 8.009 1.00 0.37 N ATOM 2972 CA GLN B 83 24.037 -4.239 7.222 1.00 0.40 C ATOM 2973 C GLN B 83 24.431 -4.854 5.885 1.00 0.37 C ATOM 2974 O GLN B 83 25.441 -4.481 5.285 1.00 0.46 O ATOM 2975 CB GLN B 83 25.280 -3.795 7.999 1.00 0.53 C ATOM 2976 CG GLN B 83 25.132 -2.431 8.660 1.00 0.63 C ATOM 2977 CD GLN B 83 23.926 -2.347 9.579 1.00 0.90 C ATOM 2978 OE1 GLN B 83 22.840 -1.935 9.165 1.00 1.62 O ATOM 2979 NE2 GLN B 83 24.108 -2.736 10.830 1.00 0.87 N ATOM 0 H GLN B 83 22.289 -4.845 8.205 1.00 0.37 H new ATOM 0 HA GLN B 83 23.427 -3.357 7.026 1.00 0.40 H new ATOM 0 HB2 GLN B 83 25.504 -4.538 8.765 1.00 0.53 H new ATOM 0 HB3 GLN B 83 26.132 -3.770 7.320 1.00 0.53 H new ATOM 0 HG2 GLN B 83 26.034 -2.210 9.231 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.048 -1.666 7.888 1.00 0.63 H new ATOM 0 HE21 GLN B 83 25.023 -3.071 11.132 1.00 0.87 H new ATOM 0 HE22 GLN B 83 23.333 -2.702 11.493 1.00 0.87 H new ATOM 2988 N GLU B 84 23.614 -5.790 5.422 1.00 0.37 N ATOM 2989 CA GLU B 84 23.857 -6.461 4.158 1.00 0.38 C ATOM 2990 C GLU B 84 23.122 -5.730 3.045 1.00 0.31 C ATOM 2991 O GLU B 84 22.187 -4.969 3.305 1.00 0.42 O ATOM 2992 CB GLU B 84 23.400 -7.926 4.232 1.00 0.53 C ATOM 2993 CG GLU B 84 22.001 -8.165 3.682 1.00 1.22 C ATOM 2994 CD GLU B 84 21.420 -9.496 4.096 1.00 2.08 C ATOM 2995 OE1 GLU B 84 20.865 -9.581 5.213 1.00 2.78 O ATOM 2996 OE2 GLU B 84 21.500 -10.458 3.304 1.00 2.45 O ATOM 0 H GLU B 84 22.773 -6.101 5.908 1.00 0.37 H new ATOM 0 HA GLU B 84 24.926 -6.449 3.947 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.107 -8.545 3.680 1.00 0.53 H new ATOM 0 HB3 GLU B 84 23.432 -8.254 5.271 1.00 0.53 H new ATOM 0 HG2 GLU B 84 21.342 -7.366 4.022 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.031 -8.111 2.594 1.00 1.22 H new ATOM 3003 N TRP B 85 23.545 -5.954 1.814 1.00 0.32 N ATOM 3004 CA TRP B 85 22.915 -5.318 0.672 1.00 0.33 C ATOM 3005 C TRP B 85 22.109 -6.337 -0.117 1.00 0.33 C ATOM 3006 O TRP B 85 22.648 -7.039 -0.973 1.00 0.45 O ATOM 3007 CB TRP B 85 23.965 -4.663 -0.226 1.00 0.41 C ATOM 3008 CG TRP B 85 24.813 -3.662 0.492 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.141 -3.773 0.773 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.390 -2.404 1.028 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.573 -2.659 1.447 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.518 -1.804 1.616 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.170 -1.727 1.066 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.461 -0.559 2.235 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.116 -0.491 1.681 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.254 0.081 2.257 1.00 0.97 C ATOM 0 H TRP B 85 24.322 -6.572 1.580 1.00 0.32 H new ATOM 0 HA TRP B 85 22.241 -4.542 1.036 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.606 -5.437 -0.648 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.465 -4.173 -1.061 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.763 -4.614 0.505 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.526 -2.495 1.770 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.286 -2.161 0.623 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.338 -0.115 2.682 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.178 0.043 1.717 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.178 1.049 2.729 1.00 0.97 H new ATOM 3027 N LEU B 86 20.824 -6.430 0.185 1.00 0.28 N ATOM 3028 CA LEU B 86 19.955 -7.371 -0.502 1.00 0.29 C ATOM 3029 C LEU B 86 19.175 -6.659 -1.599 1.00 0.26 C ATOM 3030 O LEU B 86 18.827 -5.483 -1.467 1.00 0.28 O ATOM 3031 CB LEU B 86 19.011 -8.077 0.487 1.00 0.34 C ATOM 3032 CG LEU B 86 17.784 -7.279 0.945 1.00 0.42 C ATOM 3033 CD1 LEU B 86 16.723 -8.221 1.496 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.166 -6.247 1.997 1.00 1.03 C ATOM 0 H LEU B 86 20.361 -5.867 0.899 1.00 0.28 H new ATOM 0 HA LEU B 86 20.574 -8.140 -0.965 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.665 -9.003 0.027 1.00 0.34 H new ATOM 0 HB3 LEU B 86 19.587 -8.355 1.370 1.00 0.34 H new ATOM 0 HG LEU B 86 17.379 -6.751 0.082 1.00 0.42 H new ATOM 0 HD11 LEU B 86 15.856 -7.644 1.818 1.00 0.96 H new ATOM 0 HD12 LEU B 86 16.422 -8.924 0.720 1.00 0.96 H new ATOM 0 HD13 LEU B 86 17.130 -8.770 2.345 1.00 0.96 H new ATOM 0 HD21 LEU B 86 17.278 -5.695 2.305 1.00 1.03 H new ATOM 0 HD22 LEU B 86 18.597 -6.751 2.862 1.00 1.03 H new ATOM 0 HD23 LEU B 86 18.897 -5.555 1.579 1.00 1.03 H new ATOM 3046 N TRP B 87 18.922 -7.372 -2.684 1.00 0.28 N ATOM 3047 CA TRP B 87 18.204 -6.814 -3.816 1.00 0.29 C ATOM 3048 C TRP B 87 16.728 -6.654 -3.489 1.00 0.29 C ATOM 3049 O TRP B 87 16.026 -7.629 -3.214 1.00 0.39 O ATOM 3050 CB TRP B 87 18.397 -7.693 -5.050 1.00 0.33 C ATOM 3051 CG TRP B 87 19.765 -7.566 -5.644 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.888 -8.251 -5.276 1.00 0.47 C ATOM 3053 CD2 TRP B 87 20.159 -6.689 -6.705 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.955 -7.854 -6.046 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.532 -6.900 -6.933 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.482 -5.753 -7.488 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 22.239 -6.203 -7.908 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 20.185 -5.062 -8.455 1.00 0.50 C ATOM 3059 CH2 TRP B 87 21.550 -5.293 -8.658 1.00 0.53 C ATOM 0 H TRP B 87 19.206 -8.344 -2.804 1.00 0.28 H new ATOM 0 HA TRP B 87 18.609 -5.825 -4.032 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.218 -8.734 -4.781 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.653 -7.426 -5.801 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.931 -8.995 -4.495 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.907 -8.212 -5.969 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.427 -5.572 -7.340 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 23.293 -6.375 -8.066 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.673 -4.332 -9.064 1.00 0.50 H new ATOM 0 HH2 TRP B 87 22.071 -4.739 -9.425 1.00 0.53 H new ATOM 3070 N MET B 88 16.265 -5.420 -3.533 1.00 0.31 N ATOM 3071 CA MET B 88 14.888 -5.105 -3.215 1.00 0.39 C ATOM 3072 C MET B 88 14.202 -4.409 -4.381 1.00 0.37 C ATOM 3073 O MET B 88 14.686 -3.392 -4.880 1.00 0.40 O ATOM 3074 CB MET B 88 14.841 -4.204 -1.980 1.00 0.52 C ATOM 3075 CG MET B 88 13.459 -4.076 -1.365 1.00 0.73 C ATOM 3076 SD MET B 88 13.022 -5.496 -0.343 1.00 1.53 S ATOM 3077 CE MET B 88 14.351 -5.472 0.857 1.00 0.91 C ATOM 0 H MET B 88 16.831 -4.611 -3.789 1.00 0.31 H new ATOM 0 HA MET B 88 14.360 -6.037 -3.014 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.527 -4.597 -1.230 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.200 -3.212 -2.252 1.00 0.52 H new ATOM 0 HG2 MET B 88 13.417 -3.170 -0.760 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.721 -3.963 -2.159 1.00 0.73 H new ATOM 0 HE1 MET B 88 14.040 -6.005 1.755 1.00 0.91 H new ATOM 0 HE2 MET B 88 15.231 -5.956 0.435 1.00 0.91 H new ATOM 0 HE3 MET B 88 14.592 -4.440 1.113 1.00 0.91 H new ATOM 3087 N ARG B 89 13.090 -4.973 -4.819 1.00 0.36 N ATOM 3088 CA ARG B 89 12.311 -4.395 -5.900 1.00 0.37 C ATOM 3089 C ARG B 89 11.158 -3.614 -5.285 1.00 0.36 C ATOM 3090 O ARG B 89 10.012 -4.069 -5.266 1.00 0.42 O ATOM 3091 CB ARG B 89 11.782 -5.478 -6.842 1.00 0.44 C ATOM 3092 CG ARG B 89 11.148 -4.926 -8.109 1.00 0.58 C ATOM 3093 CD ARG B 89 9.884 -5.687 -8.474 1.00 0.97 C ATOM 3094 NE ARG B 89 8.885 -5.638 -7.402 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.778 -6.381 -7.382 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.534 -7.241 -8.363 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.918 -6.269 -6.376 1.00 3.80 N ATOM 0 H ARG B 89 12.704 -5.837 -4.439 1.00 0.36 H new ATOM 0 HA ARG B 89 12.943 -3.734 -6.493 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.602 -6.142 -7.116 1.00 0.44 H new ATOM 0 HB3 ARG B 89 11.046 -6.082 -6.311 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.912 -3.871 -7.970 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.861 -4.987 -8.931 1.00 0.58 H new ATOM 0 HD2 ARG B 89 9.459 -5.267 -9.386 1.00 0.97 H new ATOM 0 HD3 ARG B 89 10.135 -6.726 -8.688 1.00 0.97 H new ATOM 0 HE ARG B 89 9.046 -4.997 -6.625 1.00 2.01 H new ATOM 0 HH11 ARG B 89 8.194 -7.335 -9.135 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.686 -7.808 -8.345 1.00 2.41 H new ATOM 0 HH21 ARG B 89 7.104 -5.614 -5.617 1.00 3.80 H new ATOM 0 HH22 ARG B 89 6.072 -6.838 -6.363 1.00 3.80 H new ATOM 3111 N THR B 90 11.487 -2.454 -4.755 1.00 0.33 N ATOM 3112 CA THR B 90 10.522 -1.600 -4.092 1.00 0.34 C ATOM 3113 C THR B 90 9.533 -0.967 -5.065 1.00 0.31 C ATOM 3114 O THR B 90 9.913 -0.218 -5.963 1.00 0.34 O ATOM 3115 CB THR B 90 11.247 -0.493 -3.309 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.044 -1.076 -2.274 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.263 0.487 -2.699 1.00 0.43 C ATOM 0 H THR B 90 12.434 -2.075 -4.772 1.00 0.33 H new ATOM 0 HA THR B 90 9.954 -2.234 -3.411 1.00 0.34 H new ATOM 0 HB THR B 90 11.884 0.051 -4.006 1.00 0.38 H new ATOM 0 HG1 THR B 90 12.960 -0.734 -2.335 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.808 1.257 -2.152 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.674 0.951 -3.490 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.599 -0.042 -2.016 1.00 0.43 H new ATOM 3125 N SER B 91 8.264 -1.285 -4.877 1.00 0.28 N ATOM 3126 CA SER B 91 7.203 -0.734 -5.698 1.00 0.27 C ATOM 3127 C SER B 91 6.643 0.516 -5.021 1.00 0.23 C ATOM 3128 O SER B 91 5.929 0.424 -4.024 1.00 0.28 O ATOM 3129 CB SER B 91 6.108 -1.784 -5.901 1.00 0.36 C ATOM 3130 OG SER B 91 6.662 -3.000 -6.382 1.00 0.97 O ATOM 0 H SER B 91 7.942 -1.929 -4.154 1.00 0.28 H new ATOM 0 HA SER B 91 7.594 -0.457 -6.677 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.589 -1.962 -4.959 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.367 -1.412 -6.608 1.00 0.36 H new ATOM 0 HG SER B 91 6.953 -2.882 -7.310 1.00 0.97 H new ATOM 3136 N SER B 92 6.994 1.679 -5.551 1.00 0.23 N ATOM 3137 CA SER B 92 6.552 2.944 -4.983 1.00 0.28 C ATOM 3138 C SER B 92 5.326 3.484 -5.709 1.00 0.26 C ATOM 3139 O SER B 92 5.345 3.671 -6.922 1.00 0.36 O ATOM 3140 CB SER B 92 7.692 3.958 -5.051 1.00 0.36 C ATOM 3141 OG SER B 92 8.905 3.388 -4.582 1.00 1.27 O ATOM 0 H SER B 92 7.586 1.772 -6.377 1.00 0.23 H new ATOM 0 HA SER B 92 6.272 2.774 -3.943 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.819 4.300 -6.078 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.441 4.834 -4.452 1.00 0.36 H new ATOM 0 HG SER B 92 8.879 3.321 -3.605 1.00 1.27 H new ATOM 3147 N PHE B 93 4.264 3.724 -4.962 1.00 0.25 N ATOM 3148 CA PHE B 93 3.029 4.248 -5.526 1.00 0.27 C ATOM 3149 C PHE B 93 2.811 5.690 -5.069 1.00 0.25 C ATOM 3150 O PHE B 93 2.963 6.001 -3.885 1.00 0.25 O ATOM 3151 CB PHE B 93 1.846 3.370 -5.096 1.00 0.33 C ATOM 3152 CG PHE B 93 0.540 3.720 -5.758 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.271 4.720 -5.241 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.120 3.044 -6.891 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.471 5.039 -5.842 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -1.080 3.359 -7.496 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.876 4.358 -6.972 1.00 0.50 C ATOM 0 H PHE B 93 4.230 3.564 -3.955 1.00 0.25 H new ATOM 0 HA PHE B 93 3.102 4.235 -6.613 1.00 0.27 H new ATOM 0 HB2 PHE B 93 2.083 2.329 -5.315 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.725 3.449 -4.016 1.00 0.33 H new ATOM 0 HD1 PHE B 93 0.041 5.256 -4.357 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.738 2.262 -7.306 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.092 5.820 -5.429 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.396 2.824 -8.379 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.814 4.606 -7.446 1.00 0.50 H new ATOM 3167 N THR B 94 2.480 6.572 -6.006 1.00 0.30 N ATOM 3168 CA THR B 94 2.230 7.967 -5.677 1.00 0.31 C ATOM 3169 C THR B 94 0.846 8.136 -5.066 1.00 0.33 C ATOM 3170 O THR B 94 -0.136 8.344 -5.782 1.00 0.37 O ATOM 3171 CB THR B 94 2.335 8.872 -6.914 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.726 8.098 -8.060 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.332 9.993 -6.674 1.00 0.37 C ATOM 0 H THR B 94 2.379 6.345 -6.995 1.00 0.30 H new ATOM 0 HA THR B 94 2.994 8.262 -4.958 1.00 0.31 H new ATOM 0 HB THR B 94 1.357 9.315 -7.102 1.00 0.38 H new ATOM 0 HG1 THR B 94 3.387 8.598 -8.582 1.00 0.59 H new ATOM 0 HG21 THR B 94 3.392 10.623 -7.562 1.00 0.37 H new ATOM 0 HG22 THR B 94 3.007 10.593 -5.824 1.00 0.37 H new ATOM 0 HG23 THR B 94 4.313 9.568 -6.464 1.00 0.37 H new ATOM 3181 N PHE B 95 0.778 8.034 -3.749 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.479 8.168 -3.032 1.00 0.41 C ATOM 3183 C PHE B 95 -0.875 9.637 -2.928 1.00 0.45 C ATOM 3184 O PHE B 95 -0.252 10.408 -2.197 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.345 7.551 -1.638 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.652 7.175 -1.007 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.391 6.112 -1.497 1.00 0.91 C ATOM 3188 CD2 PHE B 95 -2.136 7.878 0.083 1.00 0.95 C ATOM 3189 CE1 PHE B 95 -3.589 5.757 -0.911 1.00 0.98 C ATOM 3190 CE2 PHE B 95 -3.333 7.528 0.672 1.00 1.03 C ATOM 3191 CZ PHE B 95 -4.059 6.467 0.175 1.00 0.78 C ATOM 0 H PHE B 95 1.585 7.857 -3.151 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.260 7.641 -3.580 1.00 0.41 H new ATOM 0 HB2 PHE B 95 0.283 6.663 -1.704 1.00 0.48 H new ATOM 0 HB3 PHE B 95 0.170 8.258 -0.988 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -2.026 5.554 -2.347 1.00 0.91 H new ATOM 0 HD2 PHE B 95 -1.570 8.710 0.476 1.00 0.95 H new ATOM 0 HE1 PHE B 95 -4.157 4.926 -1.301 1.00 0.98 H new ATOM 0 HE2 PHE B 95 -3.701 8.084 1.521 1.00 1.03 H new ATOM 0 HZ PHE B 95 -4.996 6.191 0.636 1.00 0.78 H new ATOM 3201 N GLN B 96 -1.897 10.025 -3.672 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.366 11.400 -3.656 1.00 0.56 C ATOM 3203 C GLN B 96 -3.877 11.459 -3.474 1.00 0.63 C ATOM 3204 O GLN B 96 -4.573 10.457 -3.643 1.00 0.71 O ATOM 3205 CB GLN B 96 -1.945 12.145 -4.936 1.00 0.60 C ATOM 3206 CG GLN B 96 -2.069 11.341 -6.226 1.00 0.74 C ATOM 3207 CD GLN B 96 -3.484 11.301 -6.776 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -4.212 10.329 -6.578 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -3.883 12.360 -7.468 1.00 0.91 N ATOM 0 H GLN B 96 -2.418 9.407 -4.295 1.00 0.51 H new ATOM 0 HA GLN B 96 -1.900 11.898 -2.806 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -2.551 13.046 -5.029 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -0.910 12.467 -4.826 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -1.406 11.770 -6.978 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -1.728 10.322 -6.045 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -3.248 13.146 -7.609 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -4.825 12.389 -7.859 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.367 12.633 -3.110 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.793 12.845 -2.908 1.00 0.91 C ATOM 3220 C ASN B 97 -6.405 13.426 -4.180 1.00 0.97 C ATOM 3221 O ASN B 97 -6.007 14.499 -4.634 1.00 0.97 O ATOM 3222 CB ASN B 97 -6.015 13.784 -1.715 1.00 1.06 C ATOM 3223 CG ASN B 97 -7.481 14.018 -1.386 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -8.325 13.131 -1.526 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -7.796 15.224 -0.935 1.00 1.65 N ATOM 0 H ASN B 97 -3.794 13.461 -2.947 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.280 11.895 -2.690 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.517 13.368 -0.839 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -5.541 14.743 -1.926 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -8.762 15.441 -0.692 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -7.072 15.935 -0.831 1.00 1.65 H new ATOM 3232 N PRO B 98 -7.376 12.719 -4.778 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.039 13.151 -6.020 1.00 1.28 C ATOM 3234 C PRO B 98 -8.922 14.393 -5.858 1.00 1.35 C ATOM 3235 O PRO B 98 -9.794 14.657 -6.687 1.00 1.41 O ATOM 3236 CB PRO B 98 -8.895 11.941 -6.405 1.00 1.50 C ATOM 3237 CG PRO B 98 -9.122 11.212 -5.127 1.00 1.51 C ATOM 3238 CD PRO B 98 -7.884 11.421 -4.306 1.00 1.26 C ATOM 0 HA PRO B 98 -7.304 13.444 -6.769 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -9.838 12.251 -6.856 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -8.385 11.312 -7.134 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.002 11.595 -4.610 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -9.295 10.151 -5.308 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.108 11.441 -3.239 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -7.158 10.624 -4.464 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.694 15.157 -4.799 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.462 16.367 -4.557 1.00 1.52 C ATOM 3248 C TYR B 99 -8.737 17.575 -5.134 1.00 1.54 C ATOM 3249 O TYR B 99 -9.263 18.269 -6.000 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.708 16.565 -3.062 1.00 1.68 C ATOM 3251 CG TYR B 99 -11.073 16.106 -2.608 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -12.204 16.858 -2.888 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -11.232 14.925 -1.897 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -13.456 16.449 -2.474 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -12.480 14.509 -1.478 1.00 2.10 C ATOM 3256 CZ TYR B 99 -13.589 15.274 -1.768 1.00 2.50 C ATOM 3257 OH TYR B 99 -14.834 14.864 -1.352 1.00 2.90 O ATOM 0 H TYR B 99 -7.983 14.959 -4.095 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.427 16.263 -5.052 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.947 16.022 -2.502 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -9.590 17.621 -2.820 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -12.104 17.781 -3.440 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -10.366 14.322 -1.668 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -14.326 17.047 -2.702 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -12.587 13.587 -0.925 1.00 2.10 H new ATOM 0 HH TYR B 99 -15.318 14.470 -2.108 1.00 2.90 H new ATOM 3267 N SER B 100 -7.523 17.811 -4.661 1.00 1.37 N ATOM 3268 CA SER B 100 -6.722 18.932 -5.129 1.00 1.42 C ATOM 3269 C SER B 100 -5.435 18.427 -5.771 1.00 1.24 C ATOM 3270 O SER B 100 -4.517 19.205 -6.043 1.00 1.29 O ATOM 3271 CB SER B 100 -6.396 19.863 -3.960 1.00 1.52 C ATOM 3272 OG SER B 100 -7.293 19.655 -2.878 1.00 2.27 O ATOM 0 H SER B 100 -7.069 17.238 -3.950 1.00 1.37 H new ATOM 0 HA SER B 100 -7.291 19.486 -5.876 1.00 1.42 H new ATOM 0 HB2 SER B 100 -5.373 19.690 -3.627 1.00 1.52 H new ATOM 0 HB3 SER B 100 -6.453 20.900 -4.290 1.00 1.52 H new ATOM 0 HG SER B 100 -6.844 19.140 -2.175 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.382 17.111 -5.994 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.222 16.454 -6.601 1.00 0.96 C ATOM 3280 C ASP B 101 -3.002 16.583 -5.690 1.00 0.87 C ATOM 3281 O ASP B 101 -1.855 16.530 -6.137 1.00 0.91 O ATOM 3282 CB ASP B 101 -3.929 17.040 -7.991 1.00 1.15 C ATOM 3283 CG ASP B 101 -2.961 16.197 -8.799 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.205 14.981 -8.961 1.00 2.06 O ATOM 3285 OD2 ASP B 101 -1.958 16.754 -9.294 1.00 1.27 O ATOM 0 H ASP B 101 -6.141 16.472 -5.759 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.450 15.395 -6.724 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -4.864 17.138 -8.542 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.520 18.044 -7.877 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.262 16.748 -4.400 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.198 16.885 -3.420 1.00 0.85 C ATOM 3292 C GLU B 102 -1.600 15.520 -3.103 1.00 0.72 C ATOM 3293 O GLU B 102 -2.323 14.544 -2.899 1.00 0.72 O ATOM 3294 CB GLU B 102 -2.715 17.559 -2.137 1.00 1.03 C ATOM 3295 CG GLU B 102 -3.766 16.753 -1.380 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.187 17.111 -1.765 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.556 16.936 -2.941 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -5.951 17.553 -0.883 1.00 1.82 O ATOM 0 H GLU B 102 -4.203 16.790 -4.009 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.420 17.521 -3.843 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -1.870 17.745 -1.474 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -3.137 18.530 -2.396 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -3.603 15.691 -1.566 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.635 16.913 -0.310 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.279 15.449 -3.087 1.00 0.68 N ATOM 3306 CA ILE B 103 0.407 14.203 -2.798 1.00 0.59 C ATOM 3307 C ILE B 103 0.476 13.982 -1.294 1.00 0.61 C ATOM 3308 O ILE B 103 0.951 14.844 -0.550 1.00 0.74 O ATOM 3309 CB ILE B 103 1.832 14.187 -3.394 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.777 14.461 -4.900 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.512 12.849 -3.120 1.00 0.56 C ATOM 3312 CD1 ILE B 103 3.139 14.556 -5.554 1.00 0.99 C ATOM 0 H ILE B 103 0.338 16.240 -3.271 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.161 13.396 -3.261 1.00 0.59 H new ATOM 0 HB ILE B 103 2.418 14.973 -2.917 1.00 0.62 H new ATOM 0 HG12 ILE B 103 1.207 13.668 -5.384 1.00 0.67 H new ATOM 0 HG13 ILE B 103 1.236 15.392 -5.071 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.515 12.856 -3.547 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.577 12.688 -2.044 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.931 12.046 -3.573 1.00 0.56 H new ATOM 0 HD11 ILE B 103 3.018 14.751 -6.620 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.706 15.368 -5.098 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.675 13.617 -5.416 1.00 0.99 H new ATOM 3324 N GLU B 104 -0.018 12.839 -0.852 1.00 0.54 N ATOM 3325 CA GLU B 104 -0.017 12.500 0.559 1.00 0.59 C ATOM 3326 C GLU B 104 1.350 11.968 0.964 1.00 0.51 C ATOM 3327 O GLU B 104 2.094 12.617 1.701 1.00 0.56 O ATOM 3328 CB GLU B 104 -1.098 11.457 0.854 1.00 0.69 C ATOM 3329 CG GLU B 104 -2.472 11.845 0.336 1.00 0.85 C ATOM 3330 CD GLU B 104 -3.447 12.153 1.449 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -3.075 12.883 2.391 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -4.587 11.649 1.401 1.00 1.33 O ATOM 0 H GLU B 104 -0.428 12.126 -1.455 1.00 0.54 H new ATOM 0 HA GLU B 104 -0.233 13.398 1.138 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -0.806 10.506 0.408 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -1.156 11.300 1.931 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -2.379 12.716 -0.312 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -2.868 11.034 -0.275 1.00 0.85 H new ATOM 3339 N TYR B 105 1.682 10.793 0.457 1.00 0.42 N ATOM 3340 CA TYR B 105 2.952 10.159 0.753 1.00 0.40 C ATOM 3341 C TYR B 105 3.272 9.124 -0.315 1.00 0.33 C ATOM 3342 O TYR B 105 2.439 8.833 -1.172 1.00 0.37 O ATOM 3343 CB TYR B 105 2.934 9.517 2.150 1.00 0.46 C ATOM 3344 CG TYR B 105 1.800 8.539 2.389 1.00 0.47 C ATOM 3345 CD1 TYR B 105 1.882 7.228 1.939 1.00 0.45 C ATOM 3346 CD2 TYR B 105 0.658 8.922 3.084 1.00 0.59 C ATOM 3347 CE1 TYR B 105 0.862 6.329 2.173 1.00 0.55 C ATOM 3348 CE2 TYR B 105 -0.370 8.026 3.319 1.00 0.67 C ATOM 3349 CZ TYR B 105 -0.262 6.730 2.862 1.00 0.65 C ATOM 3350 OH TYR B 105 -1.276 5.826 3.099 1.00 0.77 O ATOM 0 H TYR B 105 1.081 10.255 -0.168 1.00 0.42 H new ATOM 0 HA TYR B 105 3.732 10.920 0.750 1.00 0.40 H new ATOM 0 HB2 TYR B 105 3.880 8.999 2.308 1.00 0.46 H new ATOM 0 HB3 TYR B 105 2.875 10.309 2.897 1.00 0.46 H new ATOM 0 HD1 TYR B 105 2.759 6.907 1.397 1.00 0.45 H new ATOM 0 HD2 TYR B 105 0.572 9.936 3.446 1.00 0.59 H new ATOM 0 HE1 TYR B 105 0.944 5.313 1.817 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -1.252 8.340 3.857 1.00 0.67 H new ATOM 0 HH TYR B 105 -2.047 6.044 2.535 1.00 0.77 H new ATOM 3360 N ILE B 106 4.472 8.575 -0.271 1.00 0.26 N ATOM 3361 CA ILE B 106 4.880 7.578 -1.244 1.00 0.25 C ATOM 3362 C ILE B 106 4.912 6.201 -0.599 1.00 0.26 C ATOM 3363 O ILE B 106 5.774 5.917 0.238 1.00 0.28 O ATOM 3364 CB ILE B 106 6.267 7.889 -1.848 1.00 0.26 C ATOM 3365 CG1 ILE B 106 6.333 9.343 -2.328 1.00 0.31 C ATOM 3366 CG2 ILE B 106 6.563 6.937 -2.999 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.715 9.767 -2.780 1.00 0.36 C ATOM 0 H ILE B 106 5.180 8.802 0.427 1.00 0.26 H new ATOM 0 HA ILE B 106 4.148 7.598 -2.051 1.00 0.25 H new ATOM 0 HB ILE B 106 7.021 7.749 -1.074 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.632 9.478 -3.152 1.00 0.31 H new ATOM 0 HG13 ILE B 106 6.006 9.999 -1.521 1.00 0.31 H new ATOM 0 HG21 ILE B 106 7.543 7.165 -3.417 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.555 5.910 -2.633 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.803 7.053 -3.772 1.00 0.30 H new ATOM 0 HD11 ILE B 106 7.688 10.807 -3.106 1.00 0.36 H new ATOM 0 HD12 ILE B 106 8.416 9.665 -1.952 1.00 0.36 H new ATOM 0 HD13 ILE B 106 8.037 9.135 -3.608 1.00 0.36 H new ATOM 3379 N ILE B 107 3.954 5.363 -0.967 1.00 0.29 N ATOM 3380 CA ILE B 107 3.880 4.012 -0.435 1.00 0.34 C ATOM 3381 C ILE B 107 4.855 3.117 -1.181 1.00 0.40 C ATOM 3382 O ILE B 107 4.653 2.804 -2.352 1.00 0.52 O ATOM 3383 CB ILE B 107 2.459 3.411 -0.532 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.584 4.214 -1.501 1.00 0.46 C ATOM 3385 CG2 ILE B 107 1.816 3.346 0.845 1.00 0.53 C ATOM 3386 CD1 ILE B 107 0.232 3.584 -1.758 1.00 0.79 C ATOM 0 H ILE B 107 3.217 5.596 -1.633 1.00 0.29 H new ATOM 0 HA ILE B 107 4.140 4.068 0.622 1.00 0.34 H new ATOM 0 HB ILE B 107 2.546 2.397 -0.923 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.438 5.217 -1.100 1.00 0.46 H new ATOM 0 HG13 ILE B 107 2.111 4.323 -2.449 1.00 0.46 H new ATOM 0 HG21 ILE B 107 0.816 2.921 0.760 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.422 2.720 1.500 1.00 0.53 H new ATOM 0 HG23 ILE B 107 1.749 4.350 1.263 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.333 4.206 -2.452 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.369 2.592 -2.188 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.315 3.500 -0.819 1.00 0.79 H new ATOM 3398 N CYS B 108 5.924 2.735 -0.506 1.00 0.39 N ATOM 3399 CA CYS B 108 6.944 1.897 -1.110 1.00 0.47 C ATOM 3400 C CYS B 108 6.879 0.470 -0.587 1.00 0.37 C ATOM 3401 O CYS B 108 7.238 0.202 0.561 1.00 0.43 O ATOM 3402 CB CYS B 108 8.326 2.486 -0.842 1.00 0.61 C ATOM 3403 SG CYS B 108 8.616 4.067 -1.663 1.00 1.55 S ATOM 0 H CYS B 108 6.109 2.993 0.464 1.00 0.39 H new ATOM 0 HA CYS B 108 6.760 1.868 -2.184 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.453 2.617 0.233 1.00 0.61 H new ATOM 0 HB3 CYS B 108 9.084 1.774 -1.168 1.00 0.61 H new ATOM 0 HG CYS B 108 8.768 4.999 -0.769 1.00 1.55 H new ATOM 3409 N THR B 109 6.407 -0.434 -1.424 1.00 0.32 N ATOM 3410 CA THR B 109 6.315 -1.832 -1.059 1.00 0.29 C ATOM 3411 C THR B 109 7.629 -2.539 -1.383 1.00 0.26 C ATOM 3412 O THR B 109 7.897 -2.896 -2.534 1.00 0.27 O ATOM 3413 CB THR B 109 5.145 -2.524 -1.785 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.992 -1.672 -1.757 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.810 -3.855 -1.128 1.00 0.49 C ATOM 0 H THR B 109 6.080 -0.222 -2.367 1.00 0.32 H new ATOM 0 HA THR B 109 6.126 -1.893 0.013 1.00 0.29 H new ATOM 0 HB THR B 109 5.441 -2.713 -2.817 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.251 -2.109 -2.227 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.981 -4.324 -1.658 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.681 -4.509 -1.166 1.00 0.49 H new ATOM 0 HG23 THR B 109 4.527 -3.687 -0.089 1.00 0.49 H new ATOM 3423 N ASN B 110 8.454 -2.702 -0.362 1.00 0.35 N ATOM 3424 CA ASN B 110 9.753 -3.344 -0.508 1.00 0.40 C ATOM 3425 C ASN B 110 9.595 -4.841 -0.726 1.00 0.45 C ATOM 3426 O ASN B 110 9.289 -5.578 0.208 1.00 0.57 O ATOM 3427 CB ASN B 110 10.614 -3.094 0.735 1.00 0.53 C ATOM 3428 CG ASN B 110 11.293 -1.738 0.725 1.00 1.18 C ATOM 3429 OD1 ASN B 110 10.773 -0.771 0.173 1.00 1.84 O ATOM 3430 ND2 ASN B 110 12.467 -1.657 1.332 1.00 1.84 N ATOM 0 H ASN B 110 8.245 -2.395 0.588 1.00 0.35 H new ATOM 0 HA ASN B 110 10.246 -2.913 -1.379 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.989 -3.174 1.625 1.00 0.53 H new ATOM 0 HB3 ASN B 110 11.373 -3.873 0.807 1.00 0.53 H new ATOM 0 HD21 ASN B 110 12.971 -0.770 1.352 1.00 1.84 H new ATOM 0 HD22 ASN B 110 12.868 -2.481 1.780 1.00 1.84 H new ATOM 3437 N THR B 111 9.787 -5.281 -1.960 1.00 0.39 N ATOM 3438 CA THR B 111 9.675 -6.693 -2.292 1.00 0.41 C ATOM 3439 C THR B 111 11.050 -7.273 -2.602 1.00 0.38 C ATOM 3440 O THR B 111 11.665 -6.913 -3.607 1.00 0.43 O ATOM 3441 CB THR B 111 8.752 -6.902 -3.508 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.811 -5.822 -3.601 1.00 0.50 O ATOM 3443 CG2 THR B 111 8.003 -8.219 -3.402 1.00 0.52 C ATOM 0 H THR B 111 10.022 -4.679 -2.750 1.00 0.39 H new ATOM 0 HA THR B 111 9.247 -7.205 -1.430 1.00 0.41 H new ATOM 0 HB THR B 111 9.372 -6.926 -4.404 1.00 0.45 H new ATOM 0 HG1 THR B 111 8.222 -5.070 -4.077 1.00 0.50 H new ATOM 0 HG21 THR B 111 7.359 -8.342 -4.272 1.00 0.52 H new ATOM 0 HG22 THR B 111 8.717 -9.041 -3.360 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.395 -8.220 -2.497 1.00 0.52 H new ATOM 3451 N ASN B 112 11.540 -8.151 -1.733 1.00 0.36 N ATOM 3452 CA ASN B 112 12.849 -8.773 -1.933 1.00 0.36 C ATOM 3453 C ASN B 112 12.868 -9.557 -3.238 1.00 0.34 C ATOM 3454 O ASN B 112 11.944 -10.324 -3.524 1.00 0.37 O ATOM 3455 CB ASN B 112 13.201 -9.699 -0.766 1.00 0.45 C ATOM 3456 CG ASN B 112 14.505 -10.451 -0.989 1.00 0.39 C ATOM 3457 OD1 ASN B 112 15.476 -9.906 -1.519 1.00 0.71 O ATOM 3458 ND2 ASN B 112 14.533 -11.713 -0.600 1.00 0.42 N ATOM 0 H ASN B 112 11.055 -8.449 -0.886 1.00 0.36 H new ATOM 0 HA ASN B 112 13.594 -7.979 -1.981 1.00 0.36 H new ATOM 0 HB2 ASN B 112 13.276 -9.112 0.149 1.00 0.45 H new ATOM 0 HB3 ASN B 112 12.393 -10.416 -0.619 1.00 0.45 H new ATOM 0 HD21 ASN B 112 15.377 -12.270 -0.735 1.00 0.42 H new ATOM 0 HD22 ASN B 112 13.711 -12.131 -0.165 1.00 0.42 H new ATOM 3465 N VAL B 113 13.912 -9.359 -4.027 1.00 0.36 N ATOM 3466 CA VAL B 113 14.041 -10.041 -5.305 1.00 0.44 C ATOM 3467 C VAL B 113 14.471 -11.491 -5.109 1.00 0.50 C ATOM 3468 O VAL B 113 13.940 -12.398 -5.754 1.00 0.78 O ATOM 3469 CB VAL B 113 15.051 -9.330 -6.229 1.00 0.52 C ATOM 3470 CG1 VAL B 113 15.097 -9.995 -7.596 1.00 0.98 C ATOM 3471 CG2 VAL B 113 14.700 -7.857 -6.369 1.00 0.83 C ATOM 0 H VAL B 113 14.684 -8.730 -3.804 1.00 0.36 H new ATOM 0 HA VAL B 113 13.059 -10.017 -5.778 1.00 0.44 H new ATOM 0 HB VAL B 113 16.039 -9.411 -5.776 1.00 0.52 H new ATOM 0 HG11 VAL B 113 15.816 -9.476 -8.229 1.00 0.98 H new ATOM 0 HG12 VAL B 113 15.398 -11.037 -7.484 1.00 0.98 H new ATOM 0 HG13 VAL B 113 14.110 -9.950 -8.056 1.00 0.98 H new ATOM 0 HG21 VAL B 113 15.423 -7.371 -7.024 1.00 0.83 H new ATOM 0 HG22 VAL B 113 13.702 -7.760 -6.795 1.00 0.83 H new ATOM 0 HG23 VAL B 113 14.723 -7.383 -5.388 1.00 0.83 H new ATOM 3481 N LYS B 114 15.418 -11.704 -4.205 1.00 0.66 N ATOM 3482 CA LYS B 114 15.929 -13.041 -3.930 1.00 0.80 C ATOM 3483 C LYS B 114 16.845 -13.020 -2.711 1.00 0.96 C ATOM 3484 O LYS B 114 16.389 -13.380 -1.608 1.00 1.54 O ATOM 3485 CB LYS B 114 16.693 -13.580 -5.144 1.00 1.37 C ATOM 3486 CG LYS B 114 17.089 -15.041 -5.013 1.00 1.56 C ATOM 3487 CD LYS B 114 18.361 -15.345 -5.787 1.00 2.38 C ATOM 3488 CE LYS B 114 19.539 -14.520 -5.283 1.00 2.81 C ATOM 3489 NZ LYS B 114 19.674 -14.577 -3.803 1.00 3.21 N ATOM 3490 OXT LYS B 114 18.020 -12.627 -2.859 1.00 0.67 O ATOM 0 H LYS B 114 15.849 -10.966 -3.648 1.00 0.66 H new ATOM 0 HA LYS B 114 15.082 -13.696 -3.725 1.00 0.80 H new ATOM 0 HB2 LYS B 114 16.077 -13.458 -6.035 1.00 1.37 H new ATOM 0 HB3 LYS B 114 17.591 -12.981 -5.293 1.00 1.37 H new ATOM 0 HG2 LYS B 114 17.235 -15.287 -3.961 1.00 1.56 H new ATOM 0 HG3 LYS B 114 16.280 -15.673 -5.379 1.00 1.56 H new ATOM 0 HD2 LYS B 114 18.596 -16.406 -5.699 1.00 2.38 H new ATOM 0 HD3 LYS B 114 18.200 -15.141 -6.846 1.00 2.38 H new ATOM 0 HE2 LYS B 114 20.458 -14.883 -5.744 1.00 2.81 H new ATOM 0 HE3 LYS B 114 19.414 -13.483 -5.595 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 20.681 -14.540 -3.545 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 19.177 -13.768 -3.378 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 19.258 -15.463 -3.450 1.00 3.21 H new TER 3504 LYS B 114