USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 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 20 SER OG : rot 180:sc=-0.00607 USER MOD Set 1.2: B 24 LYS NZ :NH3+ -165:sc= 0.0284 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 60:sc= 0.79 USER MOD Set 2.2: B 18 THR OG1 : rot 91:sc= 0.914 USER MOD Set 3.1: A 77 ASN : amide:sc= -2.52! X(o=-4.8!,f=-5) USER MOD Set 3.2: A 84 CYS SG : rot 87:sc= -2.29! USER MOD Set 4.1: A 75 GLN : amide:sc= -2.87! K(o=-5.3!,f=-0.45) USER MOD Set 4.2: A 88 LYS NZ :NH3+ -173:sc= -2.46 (180deg=0) USER MOD Set 5.1: A 46 THR OG1 : rot 59:sc= 1.16 USER MOD Set 5.2: A 60 CYS SG : rot -64:sc= -9.9! USER MOD Set 6.1: A 45 HIS : no HE2:sc= -6.15! C(o=-11!,f=-20!) USER MOD Set 6.2: A 52 LYS NZ :NH3+ 141:sc= -2.33! (180deg=-3.1!) USER MOD Set 6.3: A 57 CYS SG : rot 70:sc= -2.56 USER MOD Set 7.1: A 19 SER OG : rot 80:sc= -0.356 USER MOD Set 7.2: A 22 HIS : no HD1:sc= -0.44 X(o=-2.5,f=-2.7) USER MOD Set 7.3: A 31 CYS SG : rot 167:sc= -2.07! USER MOD Set 7.4: A 36 CYS SG : rot -140:sc= 0.355 USER MOD Single : A 8 SER OG : rot 130:sc= -0.722 USER MOD Single : A 14 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.5) USER MOD Single : A 18 GLN : amide:sc= -0.044 K(o=-0.044,f=-2.3!) USER MOD Single : A 25 GLN : amide:sc= -5.47! C(o=-5.5!,f=-3.5!) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0613 USER MOD Single : A 28 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.9) USER MOD Single : A 30 ASN : amide:sc=-0.00315 K(o=-0.0031,f=-1.8!) USER MOD Single : A 32 SER OG : rot 180:sc=0.000467 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 1.19 K(o=1.2,f=-1.4!) USER MOD Single : A 38 LYS NZ :NH3+ -118:sc= 1.07 (180deg=-7.34!) USER MOD Single : A 39 MET CE :methyl -157:sc= -0.21 (180deg=-1.69) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= -4.86! (180deg=-4.9!) USER MOD Single : A 44 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.65) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 46:sc= 0.265 USER MOD Single : A 54 ASN : amide:sc=-0.00793 K(o=-0.0079,f=-1.3) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.118 K(o=0.12,f=-1.1!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 74 CYS SG : rot -94:sc= 1.08 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0192 K(o=-0.019,f=-1.7!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot -85:sc= 0.645 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 -10.168 -6.592 14.793 1.00 0.00 N ATOM 56 CA PRO A 5 -9.049 -6.781 13.840 1.00 0.00 C ATOM 57 C PRO A 5 -9.503 -6.344 12.474 1.00 0.00 C ATOM 58 O PRO A 5 -8.742 -5.789 11.690 1.00 0.00 O ATOM 59 CB PRO A 5 -8.761 -8.285 13.906 1.00 0.00 C ATOM 60 CG PRO A 5 -9.224 -8.663 15.265 1.00 0.00 C ATOM 61 CD PRO A 5 -10.486 -7.838 15.492 1.00 0.00 C ATOM 0 HA PRO A 5 -8.155 -6.201 14.068 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.299 -8.832 13.131 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.701 -8.498 13.769 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.433 -9.731 15.329 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.466 -8.441 16.017 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.370 -8.323 15.078 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.680 -7.673 16.552 1.00 0.00 H new ATOM 69 N GLY A 6 -10.780 -6.572 12.223 1.00 0.00 N ATOM 70 CA GLY A 6 -11.369 -6.175 10.969 1.00 0.00 C ATOM 71 C GLY A 6 -11.191 -4.675 10.803 1.00 0.00 C ATOM 72 O GLY A 6 -10.975 -4.175 9.702 1.00 0.00 O ATOM 0 H GLY A 6 -11.422 -7.028 12.871 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.895 -6.706 10.143 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.427 -6.435 10.949 1.00 0.00 H new ATOM 76 N ASP A 7 -11.240 -3.968 11.927 1.00 0.00 N ATOM 77 CA ASP A 7 -11.050 -2.524 11.929 1.00 0.00 C ATOM 78 C ASP A 7 -9.561 -2.219 11.907 1.00 0.00 C ATOM 79 O ASP A 7 -9.129 -1.187 11.392 1.00 0.00 O ATOM 80 CB ASP A 7 -11.691 -1.902 13.171 1.00 0.00 C ATOM 81 CG ASP A 7 -11.724 -0.383 13.035 1.00 0.00 C ATOM 82 OD1 ASP A 7 -10.902 0.144 12.303 1.00 0.00 O ATOM 83 OD2 ASP A 7 -12.570 0.230 13.665 1.00 0.00 O ATOM 0 H ASP A 7 -11.410 -4.372 12.848 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.527 -2.098 11.046 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.703 -2.286 13.299 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.128 -2.184 14.061 1.00 0.00 H new ATOM 88 N SER A 8 -8.781 -3.148 12.445 1.00 0.00 N ATOM 89 CA SER A 8 -7.336 -3.006 12.463 1.00 0.00 C ATOM 90 C SER A 8 -6.804 -3.212 11.055 1.00 0.00 C ATOM 91 O SER A 8 -5.856 -2.554 10.626 1.00 0.00 O ATOM 92 CB SER A 8 -6.709 -4.017 13.428 1.00 0.00 C ATOM 93 OG SER A 8 -5.406 -3.577 13.788 1.00 0.00 O ATOM 0 H SER A 8 -9.127 -4.006 12.874 1.00 0.00 H new ATOM 0 HA SER A 8 -7.072 -2.007 12.809 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.329 -4.120 14.318 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.657 -5.000 12.960 1.00 0.00 H new ATOM 0 HG SER A 8 -5.311 -3.599 14.763 1.00 0.00 H new ATOM 99 N ARG A 9 -7.455 -4.117 10.337 1.00 0.00 N ATOM 100 CA ARG A 9 -7.095 -4.405 8.965 1.00 0.00 C ATOM 101 C ARG A 9 -7.447 -3.211 8.103 1.00 0.00 C ATOM 102 O ARG A 9 -6.719 -2.847 7.179 1.00 0.00 O ATOM 103 CB ARG A 9 -7.814 -5.666 8.467 1.00 0.00 C ATOM 104 CG ARG A 9 -7.216 -6.900 9.145 1.00 0.00 C ATOM 105 CD ARG A 9 -7.955 -8.152 8.667 1.00 0.00 C ATOM 106 NE ARG A 9 -7.397 -9.343 9.297 1.00 0.00 N ATOM 107 CZ ARG A 9 -7.688 -10.559 8.844 1.00 0.00 C ATOM 108 NH1 ARG A 9 -8.484 -10.701 7.820 1.00 0.00 N ATOM 109 NH2 ARG A 9 -7.178 -11.611 9.424 1.00 0.00 N ATOM 0 H ARG A 9 -8.240 -4.665 10.690 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.023 -4.592 8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.880 -5.599 8.686 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.715 -5.750 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.155 -6.979 8.910 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.297 -6.808 10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.015 -8.070 8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.878 -8.236 7.583 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.774 -9.242 10.098 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.883 -9.879 7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.707 -11.634 7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.556 -11.501 10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.401 -12.544 9.076 1.00 0.00 H new ATOM 123 N ARG A 10 -8.561 -2.589 8.444 1.00 0.00 N ATOM 124 CA ARG A 10 -9.011 -1.398 7.733 1.00 0.00 C ATOM 125 C ARG A 10 -8.103 -0.228 8.076 1.00 0.00 C ATOM 126 O ARG A 10 -7.830 0.637 7.248 1.00 0.00 O ATOM 127 CB ARG A 10 -10.471 -1.071 8.056 1.00 0.00 C ATOM 128 CG ARG A 10 -11.398 -2.114 7.406 1.00 0.00 C ATOM 129 CD ARG A 10 -11.375 -1.990 5.873 1.00 0.00 C ATOM 130 NE ARG A 10 -12.628 -2.498 5.319 1.00 0.00 N ATOM 131 CZ ARG A 10 -12.818 -3.803 5.132 1.00 0.00 C ATOM 132 NH1 ARG A 10 -11.876 -4.649 5.452 1.00 0.00 N ATOM 133 NH2 ARG A 10 -13.942 -4.238 4.632 1.00 0.00 N ATOM 0 H ARG A 10 -9.172 -2.885 9.206 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.955 -1.591 6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.620 -1.062 9.136 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.719 -0.074 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.085 -3.116 7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.416 -1.979 7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.235 -0.948 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.533 -2.550 5.466 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.369 -1.843 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.998 -4.310 5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.019 -5.649 5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.679 -3.578 4.383 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.084 -5.238 4.490 1.00 0.00 H new ATOM 147 N LEU A 11 -7.619 -0.228 9.307 1.00 0.00 N ATOM 148 CA LEU A 11 -6.705 0.807 9.757 1.00 0.00 C ATOM 149 C LEU A 11 -5.324 0.520 9.183 1.00 0.00 C ATOM 150 O LEU A 11 -4.533 1.433 8.948 1.00 0.00 O ATOM 151 CB LEU A 11 -6.646 0.842 11.294 1.00 0.00 C ATOM 152 CG LEU A 11 -7.835 1.657 11.859 1.00 0.00 C ATOM 153 CD1 LEU A 11 -8.199 1.180 13.277 1.00 0.00 C ATOM 154 CD2 LEU A 11 -7.462 3.144 11.920 1.00 0.00 C ATOM 0 H LEU A 11 -7.843 -0.932 10.011 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.055 1.780 9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.672 -0.174 11.689 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.705 1.286 11.619 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.691 1.510 11.201 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.037 1.766 13.654 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.478 0.127 13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.340 1.309 13.936 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.302 3.714 12.318 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.595 3.275 12.567 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.224 3.501 10.918 1.00 0.00 H new ATOM 166 N SER A 12 -5.044 -0.763 8.952 1.00 0.00 N ATOM 167 CA SER A 12 -3.756 -1.147 8.398 1.00 0.00 C ATOM 168 C SER A 12 -3.617 -0.587 6.994 1.00 0.00 C ATOM 169 O SER A 12 -2.600 0.019 6.653 1.00 0.00 O ATOM 170 CB SER A 12 -3.618 -2.669 8.361 1.00 0.00 C ATOM 171 OG SER A 12 -2.489 -3.018 7.570 1.00 0.00 O ATOM 0 H SER A 12 -5.682 -1.537 9.137 1.00 0.00 H new ATOM 0 HA SER A 12 -2.969 -0.742 9.033 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.503 -3.060 9.372 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.520 -3.118 7.946 1.00 0.00 H new ATOM 0 HG SER A 12 -1.681 -2.624 7.961 1.00 0.00 H new ATOM 177 N ILE A 13 -4.651 -0.782 6.176 1.00 0.00 N ATOM 178 CA ILE A 13 -4.612 -0.278 4.817 1.00 0.00 C ATOM 179 C ILE A 13 -4.753 1.245 4.784 1.00 0.00 C ATOM 180 O ILE A 13 -4.276 1.886 3.855 1.00 0.00 O ATOM 181 CB ILE A 13 -5.704 -0.916 3.954 1.00 0.00 C ATOM 182 CG1 ILE A 13 -7.078 -0.460 4.439 1.00 0.00 C ATOM 183 CG2 ILE A 13 -5.607 -2.448 4.009 1.00 0.00 C ATOM 184 CD1 ILE A 13 -8.172 -1.219 3.690 1.00 0.00 C ATOM 0 H ILE A 13 -5.507 -1.276 6.430 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.639 -0.548 4.406 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.565 -0.598 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.171 -0.634 5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.192 0.612 4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.391 -2.885 3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.632 -2.764 3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.729 -2.784 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.150 -0.889 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.085 -1.023 2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.063 -2.288 3.872 1.00 0.00 H new ATOM 196 N GLN A 14 -5.410 1.819 5.793 1.00 0.00 N ATOM 197 CA GLN A 14 -5.603 3.245 5.869 1.00 0.00 C ATOM 198 C GLN A 14 -4.253 3.943 5.985 1.00 0.00 C ATOM 199 O GLN A 14 -3.999 4.950 5.334 1.00 0.00 O ATOM 200 CB GLN A 14 -6.456 3.563 7.092 1.00 0.00 C ATOM 201 CG GLN A 14 -6.794 5.039 7.072 1.00 0.00 C ATOM 202 CD GLN A 14 -7.749 5.382 8.209 1.00 0.00 C ATOM 203 OE1 GLN A 14 -8.439 4.504 8.728 1.00 0.00 O ATOM 204 NE2 GLN A 14 -7.832 6.615 8.629 1.00 0.00 N ATOM 0 H GLN A 14 -5.817 1.300 6.571 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.105 3.598 4.968 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.368 2.966 7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.918 3.310 8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.882 5.628 7.165 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.247 5.302 6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.259 7.340 8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.469 6.853 9.389 1.00 0.00 H new ATOM 213 N ARG A 15 -3.381 3.361 6.800 1.00 0.00 N ATOM 214 CA ARG A 15 -2.037 3.880 6.994 1.00 0.00 C ATOM 215 C ARG A 15 -1.219 3.646 5.741 1.00 0.00 C ATOM 216 O ARG A 15 -0.446 4.507 5.316 1.00 0.00 O ATOM 217 CB ARG A 15 -1.370 3.197 8.193 1.00 0.00 C ATOM 218 CG ARG A 15 -2.008 3.699 9.489 1.00 0.00 C ATOM 219 CD ARG A 15 -1.371 2.987 10.686 1.00 0.00 C ATOM 220 NE ARG A 15 -1.916 3.514 11.935 1.00 0.00 N ATOM 221 CZ ARG A 15 -1.567 2.999 13.111 1.00 0.00 C ATOM 222 NH1 ARG A 15 -0.732 1.997 13.162 1.00 0.00 N ATOM 223 NH2 ARG A 15 -2.058 3.496 14.212 1.00 0.00 N ATOM 0 H ARG A 15 -3.586 2.521 7.341 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.094 4.950 7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.481 2.115 8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.301 3.408 8.196 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.871 4.777 9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.082 3.514 9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.558 1.915 10.623 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.290 3.123 10.666 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.576 4.291 11.905 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.347 1.609 12.301 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.464 1.602 14.063 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.710 4.280 14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.790 3.101 15.114 1.00 0.00 H new ATOM 237 N ALA A 16 -1.422 2.487 5.126 1.00 0.00 N ATOM 238 CA ALA A 16 -0.721 2.176 3.899 1.00 0.00 C ATOM 239 C ALA A 16 -1.256 3.085 2.820 1.00 0.00 C ATOM 240 O ALA A 16 -0.503 3.616 2.012 1.00 0.00 O ATOM 241 CB ALA A 16 -0.931 0.714 3.506 1.00 0.00 C ATOM 0 H ALA A 16 -2.058 1.760 5.455 1.00 0.00 H new ATOM 0 HA ALA A 16 0.350 2.329 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.394 0.505 2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.554 0.067 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.995 0.526 3.359 1.00 0.00 H new ATOM 247 N ILE A 17 -2.571 3.278 2.846 1.00 0.00 N ATOM 248 CA ILE A 17 -3.237 4.150 1.900 1.00 0.00 C ATOM 249 C ILE A 17 -2.749 5.569 2.110 1.00 0.00 C ATOM 250 O ILE A 17 -2.383 6.254 1.164 1.00 0.00 O ATOM 251 CB ILE A 17 -4.756 4.065 2.141 1.00 0.00 C ATOM 252 CG1 ILE A 17 -5.317 2.745 1.524 1.00 0.00 C ATOM 253 CG2 ILE A 17 -5.503 5.309 1.592 1.00 0.00 C ATOM 254 CD1 ILE A 17 -6.146 3.008 0.258 1.00 0.00 C ATOM 0 H ILE A 17 -3.196 2.836 3.520 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.016 3.848 0.876 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.929 4.051 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.490 2.077 1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.935 2.234 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.571 5.206 1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.130 6.205 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.333 5.391 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.516 2.062 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.989 3.654 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.522 3.495 -0.491 1.00 0.00 H new ATOM 266 N GLN A 18 -2.726 6.007 3.362 1.00 0.00 N ATOM 267 CA GLN A 18 -2.268 7.355 3.642 1.00 0.00 C ATOM 268 C GLN A 18 -0.909 7.587 2.995 1.00 0.00 C ATOM 269 O GLN A 18 -0.639 8.674 2.494 1.00 0.00 O ATOM 270 CB GLN A 18 -2.204 7.609 5.158 1.00 0.00 C ATOM 271 CG GLN A 18 -3.599 7.970 5.689 1.00 0.00 C ATOM 272 CD GLN A 18 -3.583 8.020 7.213 1.00 0.00 C ATOM 273 OE1 GLN A 18 -3.366 7.000 7.865 1.00 0.00 O ATOM 274 NE2 GLN A 18 -3.804 9.153 7.822 1.00 0.00 N ATOM 0 H GLN A 18 -3.011 5.464 4.177 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.982 8.061 3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.830 6.721 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.504 8.417 5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.910 8.935 5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.328 7.234 5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.984 9.997 7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.797 9.194 8.841 1.00 0.00 H new ATOM 283 N SER A 19 -0.063 6.559 2.968 1.00 0.00 N ATOM 284 CA SER A 19 1.244 6.702 2.333 1.00 0.00 C ATOM 285 C SER A 19 1.150 6.372 0.854 1.00 0.00 C ATOM 286 O SER A 19 1.749 7.052 0.034 1.00 0.00 O ATOM 287 CB SER A 19 2.287 5.811 3.015 1.00 0.00 C ATOM 288 OG SER A 19 3.567 6.081 2.459 1.00 0.00 O ATOM 0 H SER A 19 -0.252 5.640 3.368 1.00 0.00 H new ATOM 0 HA SER A 19 1.563 7.739 2.442 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.297 5.998 4.089 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.031 4.760 2.877 1.00 0.00 H new ATOM 0 HG SER A 19 3.933 6.896 2.862 1.00 0.00 H new ATOM 294 N LEU A 20 0.394 5.345 0.496 1.00 0.00 N ATOM 295 CA LEU A 20 0.268 5.016 -0.918 1.00 0.00 C ATOM 296 C LEU A 20 -0.412 6.164 -1.654 1.00 0.00 C ATOM 297 O LEU A 20 0.096 6.642 -2.666 1.00 0.00 O ATOM 298 CB LEU A 20 -0.488 3.673 -1.075 1.00 0.00 C ATOM 299 CG LEU A 20 -1.373 3.595 -2.346 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.506 3.449 -3.598 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.283 2.366 -2.241 1.00 0.00 C ATOM 0 H LEU A 20 -0.124 4.744 1.137 1.00 0.00 H new ATOM 0 HA LEU A 20 1.253 4.886 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.237 2.860 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.115 3.515 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.960 4.510 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.145 3.396 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.158 4.309 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.088 2.538 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.910 2.301 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.672 1.467 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.914 2.455 -1.357 1.00 0.00 H new ATOM 313 N VAL A 21 -1.552 6.613 -1.141 1.00 0.00 N ATOM 314 CA VAL A 21 -2.259 7.711 -1.782 1.00 0.00 C ATOM 315 C VAL A 21 -1.378 8.963 -1.752 1.00 0.00 C ATOM 316 O VAL A 21 -1.241 9.645 -2.763 1.00 0.00 O ATOM 317 CB VAL A 21 -3.624 7.977 -1.082 1.00 0.00 C ATOM 318 CG1 VAL A 21 -4.083 9.436 -1.264 1.00 0.00 C ATOM 319 CG2 VAL A 21 -4.698 7.044 -1.656 1.00 0.00 C ATOM 0 H VAL A 21 -1.997 6.242 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.469 7.445 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.487 7.787 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.039 9.582 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.340 10.108 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.195 9.652 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.650 7.237 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.803 7.224 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.406 6.007 -1.490 1.00 0.00 H new ATOM 329 N HIS A 22 -0.782 9.262 -0.593 1.00 0.00 N ATOM 330 CA HIS A 22 0.069 10.446 -0.484 1.00 0.00 C ATOM 331 C HIS A 22 1.356 10.284 -1.284 1.00 0.00 C ATOM 332 O HIS A 22 1.716 11.155 -2.068 1.00 0.00 O ATOM 333 CB HIS A 22 0.393 10.755 0.980 1.00 0.00 C ATOM 334 CG HIS A 22 1.035 12.112 1.068 1.00 0.00 C ATOM 335 ND1 HIS A 22 0.398 13.251 0.602 1.00 0.00 N ATOM 336 CD2 HIS A 22 2.239 12.539 1.575 1.00 0.00 C ATOM 337 CE1 HIS A 22 1.209 14.297 0.835 1.00 0.00 C ATOM 338 NE2 HIS A 22 2.346 13.919 1.425 1.00 0.00 N ATOM 0 H HIS A 22 -0.871 8.714 0.263 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.488 11.284 -0.903 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.517 10.730 1.579 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.062 9.996 1.385 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.988 11.901 2.022 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.971 15.318 0.577 1.00 0.00 H new ATOM 0 HE2 HIS A 22 3.126 14.514 1.706 1.00 0.00 H new ATOM 346 N ALA A 23 2.043 9.169 -1.083 1.00 0.00 N ATOM 347 CA ALA A 23 3.292 8.915 -1.800 1.00 0.00 C ATOM 348 C ALA A 23 3.056 8.807 -3.302 1.00 0.00 C ATOM 349 O ALA A 23 3.948 9.098 -4.098 1.00 0.00 O ATOM 350 CB ALA A 23 3.940 7.619 -1.309 1.00 0.00 C ATOM 0 H ALA A 23 1.764 8.430 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 23 3.955 9.758 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.868 7.447 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.155 7.701 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.259 6.785 -1.479 1.00 0.00 H new ATOM 356 N ALA A 24 1.861 8.375 -3.695 1.00 0.00 N ATOM 357 CA ALA A 24 1.548 8.226 -5.112 1.00 0.00 C ATOM 358 C ALA A 24 0.961 9.506 -5.683 1.00 0.00 C ATOM 359 O ALA A 24 0.700 9.591 -6.868 1.00 0.00 O ATOM 360 CB ALA A 24 0.561 7.087 -5.292 1.00 0.00 C ATOM 0 H ALA A 24 1.102 8.125 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 24 2.472 8.008 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.325 6.974 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.000 6.163 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.352 7.306 -4.738 1.00 0.00 H new ATOM 366 N GLN A 25 0.758 10.494 -4.823 1.00 0.00 N ATOM 367 CA GLN A 25 0.208 11.787 -5.217 1.00 0.00 C ATOM 368 C GLN A 25 1.220 12.886 -4.961 1.00 0.00 C ATOM 369 O GLN A 25 1.277 13.879 -5.687 1.00 0.00 O ATOM 370 CB GLN A 25 -1.036 12.043 -4.376 1.00 0.00 C ATOM 371 CG GLN A 25 -2.158 11.093 -4.798 1.00 0.00 C ATOM 372 CD GLN A 25 -2.974 11.689 -5.919 1.00 0.00 C ATOM 373 OE1 GLN A 25 -3.142 12.905 -6.010 1.00 0.00 O ATOM 374 NE2 GLN A 25 -3.494 10.882 -6.774 1.00 0.00 N ATOM 0 H GLN A 25 0.970 10.423 -3.828 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.036 11.779 -6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.806 11.901 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.360 13.077 -4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.733 10.141 -5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.803 10.884 -3.945 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.344 9.877 -6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.056 11.247 -7.543 1.00 0.00 H new ATOM 383 N CYS A 26 2.042 12.688 -3.938 1.00 0.00 N ATOM 384 CA CYS A 26 3.082 13.654 -3.611 1.00 0.00 C ATOM 385 C CYS A 26 4.403 13.127 -4.129 1.00 0.00 C ATOM 386 O CYS A 26 5.199 12.553 -3.384 1.00 0.00 O ATOM 387 CB CYS A 26 3.159 13.867 -2.098 1.00 0.00 C ATOM 388 SG CYS A 26 4.396 15.136 -1.732 1.00 0.00 S ATOM 0 H CYS A 26 2.009 11.874 -3.325 1.00 0.00 H new ATOM 0 HA CYS A 26 2.852 14.613 -4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.186 14.170 -1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.422 12.933 -1.601 1.00 0.00 H new ATOM 0 HG CYS A 26 4.462 15.320 -0.447 1.00 0.00 H new ATOM 394 N ARG A 27 4.623 13.322 -5.420 1.00 0.00 N ATOM 395 CA ARG A 27 5.840 12.863 -6.062 1.00 0.00 C ATOM 396 C ARG A 27 6.919 13.929 -5.879 1.00 0.00 C ATOM 397 O ARG A 27 7.539 14.402 -6.829 1.00 0.00 O ATOM 398 CB ARG A 27 5.531 12.572 -7.544 1.00 0.00 C ATOM 399 CG ARG A 27 6.771 12.039 -8.296 1.00 0.00 C ATOM 400 CD ARG A 27 6.958 10.541 -8.026 1.00 0.00 C ATOM 401 NE ARG A 27 8.110 10.041 -8.773 1.00 0.00 N ATOM 402 CZ ARG A 27 9.342 10.123 -8.277 1.00 0.00 C ATOM 403 NH1 ARG A 27 9.539 10.659 -7.102 1.00 0.00 N ATOM 404 NH2 ARG A 27 10.354 9.672 -8.964 1.00 0.00 N ATOM 0 H ARG A 27 3.971 13.797 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 27 6.212 11.941 -5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.724 11.842 -7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.177 13.483 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.656 12.210 -9.366 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.659 12.586 -7.979 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.103 10.370 -6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.060 9.995 -8.317 1.00 0.00 H new ATOM 0 HE ARG A 27 7.967 9.621 -9.692 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.748 11.015 -6.565 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.483 10.722 -6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.202 9.256 -9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.298 9.735 -8.583 1.00 0.00 H new ATOM 418 N ASN A 28 7.113 14.323 -4.625 1.00 0.00 N ATOM 419 CA ASN A 28 8.104 15.337 -4.301 1.00 0.00 C ATOM 420 C ASN A 28 9.515 14.783 -4.488 1.00 0.00 C ATOM 421 O ASN A 28 10.396 15.463 -5.012 1.00 0.00 O ATOM 422 CB ASN A 28 7.926 15.790 -2.852 1.00 0.00 C ATOM 423 CG ASN A 28 8.959 16.859 -2.520 1.00 0.00 C ATOM 424 OD1 ASN A 28 9.819 16.651 -1.665 1.00 0.00 O ATOM 425 ND2 ASN A 28 8.929 17.999 -3.157 1.00 0.00 N ATOM 0 H ASN A 28 6.600 13.957 -3.823 1.00 0.00 H new ATOM 0 HA ASN A 28 7.964 16.185 -4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.920 16.184 -2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.038 14.940 -2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.620 18.719 -2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.215 18.169 -3.865 1.00 0.00 H new ATOM 432 N ALA A 29 9.701 13.543 -4.024 1.00 0.00 N ATOM 433 CA ALA A 29 10.988 12.836 -4.083 1.00 0.00 C ATOM 434 C ALA A 29 11.722 12.970 -2.752 1.00 0.00 C ATOM 435 O ALA A 29 12.282 12.001 -2.237 1.00 0.00 O ATOM 436 CB ALA A 29 11.881 13.359 -5.217 1.00 0.00 C ATOM 0 H ALA A 29 8.956 12.995 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 29 10.772 11.787 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.821 12.808 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.374 13.222 -6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.082 14.419 -5.062 1.00 0.00 H new ATOM 442 N ASN A 30 11.712 14.182 -2.200 1.00 0.00 N ATOM 443 CA ASN A 30 12.377 14.451 -0.927 1.00 0.00 C ATOM 444 C ASN A 30 11.385 14.343 0.228 1.00 0.00 C ATOM 445 O ASN A 30 11.672 14.787 1.338 1.00 0.00 O ATOM 446 CB ASN A 30 12.977 15.858 -0.942 1.00 0.00 C ATOM 447 CG ASN A 30 14.142 15.918 -1.924 1.00 0.00 C ATOM 448 OD1 ASN A 30 14.673 14.882 -2.324 1.00 0.00 O ATOM 449 ND2 ASN A 30 14.576 17.078 -2.336 1.00 0.00 N ATOM 0 H ASN A 30 11.251 14.992 -2.614 1.00 0.00 H new ATOM 0 HA ASN A 30 13.168 13.713 -0.789 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.215 16.584 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.319 16.127 0.057 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.357 17.127 -2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.135 17.935 -2.003 1.00 0.00 H new ATOM 456 N CYS A 31 10.209 13.767 -0.053 1.00 0.00 N ATOM 457 CA CYS A 31 9.157 13.613 0.960 1.00 0.00 C ATOM 458 C CYS A 31 9.756 13.409 2.355 1.00 0.00 C ATOM 459 O CYS A 31 10.682 12.617 2.529 1.00 0.00 O ATOM 460 CB CYS A 31 8.271 12.424 0.597 1.00 0.00 C ATOM 461 SG CYS A 31 6.747 12.490 1.573 1.00 0.00 S ATOM 0 H CYS A 31 9.962 13.400 -0.972 1.00 0.00 H new ATOM 0 HA CYS A 31 8.561 14.526 0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.036 12.443 -0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.799 11.490 0.790 1.00 0.00 H new ATOM 0 HG CYS A 31 5.878 11.659 1.078 1.00 0.00 H new ATOM 467 N SER A 32 9.245 14.149 3.342 1.00 0.00 N ATOM 468 CA SER A 32 9.765 14.060 4.705 1.00 0.00 C ATOM 469 C SER A 32 9.057 12.998 5.526 1.00 0.00 C ATOM 470 O SER A 32 9.281 12.901 6.729 1.00 0.00 O ATOM 471 CB SER A 32 9.619 15.399 5.411 1.00 0.00 C ATOM 472 OG SER A 32 8.264 15.826 5.340 1.00 0.00 O ATOM 0 H SER A 32 8.478 14.811 3.223 1.00 0.00 H new ATOM 0 HA SER A 32 10.816 13.783 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.929 15.309 6.452 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.270 16.140 4.947 1.00 0.00 H new ATOM 0 HG SER A 32 8.168 16.688 5.796 1.00 0.00 H new ATOM 478 N LEU A 33 8.220 12.192 4.883 1.00 0.00 N ATOM 479 CA LEU A 33 7.520 11.124 5.584 1.00 0.00 C ATOM 480 C LEU A 33 8.238 9.807 5.290 1.00 0.00 C ATOM 481 O LEU A 33 8.116 9.272 4.190 1.00 0.00 O ATOM 482 CB LEU A 33 6.052 11.066 5.116 1.00 0.00 C ATOM 483 CG LEU A 33 5.264 12.295 5.665 1.00 0.00 C ATOM 484 CD1 LEU A 33 4.397 12.921 4.562 1.00 0.00 C ATOM 485 CD2 LEU A 33 4.339 11.875 6.821 1.00 0.00 C ATOM 0 H LEU A 33 8.011 12.257 3.887 1.00 0.00 H new ATOM 0 HA LEU A 33 7.522 11.307 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.010 11.054 4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.588 10.143 5.463 1.00 0.00 H new ATOM 0 HG LEU A 33 5.997 13.020 6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.856 13.777 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.034 13.250 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.685 12.182 4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.799 12.747 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.627 11.130 6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.935 11.450 7.628 1.00 0.00 H new ATOM 497 N PRO A 34 9.008 9.275 6.216 1.00 0.00 N ATOM 498 CA PRO A 34 9.750 8.017 5.963 1.00 0.00 C ATOM 499 C PRO A 34 8.861 6.981 5.292 1.00 0.00 C ATOM 500 O PRO A 34 9.324 6.187 4.477 1.00 0.00 O ATOM 501 CB PRO A 34 10.193 7.567 7.360 1.00 0.00 C ATOM 502 CG PRO A 34 10.331 8.836 8.135 1.00 0.00 C ATOM 503 CD PRO A 34 9.267 9.789 7.578 1.00 0.00 C ATOM 0 HA PRO A 34 10.593 8.150 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.458 6.902 7.814 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.136 7.021 7.321 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.179 8.661 9.200 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.330 9.257 8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.363 9.779 8.187 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.625 10.818 7.555 1.00 0.00 H new ATOM 511 N SER A 35 7.579 7.015 5.626 1.00 0.00 N ATOM 512 CA SER A 35 6.628 6.092 5.033 1.00 0.00 C ATOM 513 C SER A 35 6.523 6.339 3.532 1.00 0.00 C ATOM 514 O SER A 35 6.335 5.407 2.756 1.00 0.00 O ATOM 515 CB SER A 35 5.256 6.256 5.683 1.00 0.00 C ATOM 516 OG SER A 35 5.296 5.721 6.999 1.00 0.00 O ATOM 0 H SER A 35 7.178 7.667 6.300 1.00 0.00 H new ATOM 0 HA SER A 35 6.979 5.074 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.979 7.310 5.714 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.497 5.744 5.092 1.00 0.00 H new ATOM 0 HG SER A 35 4.418 5.825 7.421 1.00 0.00 H new ATOM 522 N CYS A 36 6.635 7.599 3.123 1.00 0.00 N ATOM 523 CA CYS A 36 6.541 7.915 1.703 1.00 0.00 C ATOM 524 C CYS A 36 7.762 7.405 0.949 1.00 0.00 C ATOM 525 O CYS A 36 7.635 6.683 -0.038 1.00 0.00 O ATOM 526 CB CYS A 36 6.408 9.423 1.509 1.00 0.00 C ATOM 527 SG CYS A 36 4.666 9.893 1.618 1.00 0.00 S ATOM 0 H CYS A 36 6.787 8.399 3.737 1.00 0.00 H new ATOM 0 HA CYS A 36 5.656 7.419 1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.986 9.950 2.268 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.814 9.713 0.540 1.00 0.00 H new ATOM 0 HG CYS A 36 4.404 10.798 0.722 1.00 0.00 H new ATOM 533 N GLN A 37 8.942 7.798 1.409 1.00 0.00 N ATOM 534 CA GLN A 37 10.173 7.392 0.760 1.00 0.00 C ATOM 535 C GLN A 37 10.232 5.898 0.602 1.00 0.00 C ATOM 536 O GLN A 37 10.711 5.390 -0.409 1.00 0.00 O ATOM 537 CB GLN A 37 11.367 7.816 1.600 1.00 0.00 C ATOM 538 CG GLN A 37 11.411 9.341 1.681 1.00 0.00 C ATOM 539 CD GLN A 37 12.693 9.800 2.369 1.00 0.00 C ATOM 540 OE1 GLN A 37 13.521 8.976 2.757 1.00 0.00 O ATOM 541 NE2 GLN A 37 12.914 11.077 2.535 1.00 0.00 N ATOM 0 H GLN A 37 9.069 8.395 2.226 1.00 0.00 H new ATOM 0 HA GLN A 37 10.200 7.868 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.293 7.389 2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.289 7.437 1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.356 9.767 0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.544 9.708 2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.228 11.759 2.213 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.773 11.391 2.986 1.00 0.00 H new ATOM 550 N LYS A 38 9.751 5.195 1.611 1.00 0.00 N ATOM 551 CA LYS A 38 9.759 3.758 1.582 1.00 0.00 C ATOM 552 C LYS A 38 8.669 3.274 0.631 1.00 0.00 C ATOM 553 O LYS A 38 8.830 2.250 -0.034 1.00 0.00 O ATOM 554 CB LYS A 38 9.644 3.210 3.035 1.00 0.00 C ATOM 555 CG LYS A 38 8.725 1.976 3.142 1.00 0.00 C ATOM 556 CD LYS A 38 7.291 2.463 3.331 1.00 0.00 C ATOM 557 CE LYS A 38 6.307 1.306 3.176 1.00 0.00 C ATOM 558 NZ LYS A 38 4.946 1.777 3.559 1.00 0.00 N ATOM 0 H LYS A 38 9.352 5.602 2.457 1.00 0.00 H new ATOM 0 HA LYS A 38 10.699 3.367 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.638 2.949 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.263 3.997 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.803 1.365 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.027 1.349 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.181 2.912 4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.066 3.240 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.306 0.947 2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.607 0.468 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.608 1.232 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.985 2.786 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.294 1.642 2.760 1.00 0.00 H new ATOM 572 N MET A 39 7.567 4.025 0.540 1.00 0.00 N ATOM 573 CA MET A 39 6.494 3.649 -0.367 1.00 0.00 C ATOM 574 C MET A 39 6.909 3.961 -1.788 1.00 0.00 C ATOM 575 O MET A 39 6.587 3.224 -2.715 1.00 0.00 O ATOM 576 CB MET A 39 5.163 4.342 -0.024 1.00 0.00 C ATOM 577 CG MET A 39 4.361 3.556 1.039 1.00 0.00 C ATOM 578 SD MET A 39 4.079 1.833 0.530 1.00 0.00 S ATOM 579 CE MET A 39 3.189 2.177 -1.006 1.00 0.00 C ATOM 0 H MET A 39 7.402 4.878 1.074 1.00 0.00 H new ATOM 0 HA MET A 39 6.322 2.578 -0.258 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.362 5.349 0.343 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.563 4.445 -0.929 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.899 3.572 1.987 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.403 4.047 1.209 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.577 1.315 -1.273 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.549 3.048 -0.868 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.904 2.375 -1.804 1.00 0.00 H new ATOM 589 N LYS A 40 7.656 5.031 -1.972 1.00 0.00 N ATOM 590 CA LYS A 40 8.111 5.332 -3.302 1.00 0.00 C ATOM 591 C LYS A 40 9.026 4.220 -3.714 1.00 0.00 C ATOM 592 O LYS A 40 8.961 3.711 -4.813 1.00 0.00 O ATOM 593 CB LYS A 40 8.847 6.656 -3.367 1.00 0.00 C ATOM 594 CG LYS A 40 7.849 7.787 -3.128 1.00 0.00 C ATOM 595 CD LYS A 40 8.568 9.131 -3.183 1.00 0.00 C ATOM 596 CE LYS A 40 7.566 10.251 -2.901 1.00 0.00 C ATOM 597 NZ LYS A 40 8.265 11.562 -2.944 1.00 0.00 N ATOM 0 H LYS A 40 7.949 5.682 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 40 7.254 5.418 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.637 6.685 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.326 6.774 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.061 7.754 -3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.368 7.661 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.374 9.155 -2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.024 9.273 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.764 10.230 -3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.105 10.104 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.604 12.317 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.069 11.549 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.612 11.739 -3.908 1.00 0.00 H new ATOM 611 N ARG A 41 9.851 3.821 -2.777 1.00 0.00 N ATOM 612 CA ARG A 41 10.773 2.743 -3.001 1.00 0.00 C ATOM 613 C ARG A 41 9.983 1.549 -3.529 1.00 0.00 C ATOM 614 O ARG A 41 10.423 0.864 -4.438 1.00 0.00 O ATOM 615 CB ARG A 41 11.468 2.412 -1.667 1.00 0.00 C ATOM 616 CG ARG A 41 12.922 2.014 -1.910 1.00 0.00 C ATOM 617 CD ARG A 41 13.589 1.674 -0.581 1.00 0.00 C ATOM 618 NE ARG A 41 13.845 2.887 0.188 1.00 0.00 N ATOM 619 CZ ARG A 41 14.197 2.822 1.468 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.294 1.663 2.059 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.446 3.918 2.133 1.00 0.00 N ATOM 0 H ARG A 41 9.900 4.233 -1.845 1.00 0.00 H new ATOM 0 HA ARG A 41 11.538 3.009 -3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.427 3.276 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.941 1.600 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.967 1.156 -2.581 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.456 2.829 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.950 1.002 -0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.526 1.147 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 41 13.753 3.797 -0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.100 0.807 1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.564 1.612 3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.370 4.824 1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.716 3.868 3.115 1.00 0.00 H new ATOM 635 N VAL A 42 8.802 1.352 -2.942 1.00 0.00 N ATOM 636 CA VAL A 42 7.884 0.277 -3.327 1.00 0.00 C ATOM 637 C VAL A 42 7.233 0.559 -4.689 1.00 0.00 C ATOM 638 O VAL A 42 7.211 -0.309 -5.560 1.00 0.00 O ATOM 639 CB VAL A 42 6.792 0.116 -2.244 1.00 0.00 C ATOM 640 CG1 VAL A 42 5.701 -0.839 -2.741 1.00 0.00 C ATOM 641 CG2 VAL A 42 7.425 -0.453 -0.965 1.00 0.00 C ATOM 0 H VAL A 42 8.453 1.936 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 42 8.456 -0.647 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 42 6.347 1.089 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.935 -0.948 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.251 -0.436 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.140 -1.813 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.658 -0.568 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.871 -1.424 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.196 0.229 -0.606 1.00 0.00 H new ATOM 651 N VAL A 43 6.708 1.772 -4.867 1.00 0.00 N ATOM 652 CA VAL A 43 6.066 2.141 -6.128 1.00 0.00 C ATOM 653 C VAL A 43 7.114 2.276 -7.226 1.00 0.00 C ATOM 654 O VAL A 43 7.007 1.671 -8.292 1.00 0.00 O ATOM 655 CB VAL A 43 5.305 3.456 -5.970 1.00 0.00 C ATOM 656 CG1 VAL A 43 4.709 3.859 -7.319 1.00 0.00 C ATOM 657 CG2 VAL A 43 4.177 3.267 -4.956 1.00 0.00 C ATOM 0 H VAL A 43 6.714 2.509 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 43 5.360 1.358 -6.404 1.00 0.00 H new ATOM 0 HB VAL A 43 5.984 4.234 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.165 4.797 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.510 3.986 -8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.027 3.081 -7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.631 4.203 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.497 2.492 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.598 2.971 -3.995 1.00 0.00 H new ATOM 667 N GLN A 44 8.141 3.058 -6.929 1.00 0.00 N ATOM 668 CA GLN A 44 9.238 3.266 -7.851 1.00 0.00 C ATOM 669 C GLN A 44 9.783 1.903 -8.279 1.00 0.00 C ATOM 670 O GLN A 44 10.158 1.715 -9.436 1.00 0.00 O ATOM 671 CB GLN A 44 10.335 4.121 -7.181 1.00 0.00 C ATOM 672 CG GLN A 44 9.798 5.528 -6.891 1.00 0.00 C ATOM 673 CD GLN A 44 9.586 6.284 -8.197 1.00 0.00 C ATOM 674 OE1 GLN A 44 10.444 6.253 -9.078 1.00 0.00 O ATOM 675 NE2 GLN A 44 8.489 6.970 -8.375 1.00 0.00 N ATOM 0 H GLN A 44 8.234 3.562 -6.047 1.00 0.00 H new ATOM 0 HA GLN A 44 8.892 3.803 -8.734 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.661 3.649 -6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.208 4.183 -7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.858 5.462 -6.343 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.499 6.070 -6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.779 6.995 -7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.343 7.481 -9.246 1.00 0.00 H new ATOM 684 N HIS A 45 9.785 0.934 -7.351 1.00 0.00 N ATOM 685 CA HIS A 45 10.242 -0.411 -7.680 1.00 0.00 C ATOM 686 C HIS A 45 9.146 -1.173 -8.419 1.00 0.00 C ATOM 687 O HIS A 45 9.423 -1.948 -9.337 1.00 0.00 O ATOM 688 CB HIS A 45 10.601 -1.158 -6.389 1.00 0.00 C ATOM 689 CG HIS A 45 10.474 -2.645 -6.566 1.00 0.00 C ATOM 690 ND1 HIS A 45 11.499 -3.459 -7.034 1.00 0.00 N ATOM 691 CD2 HIS A 45 9.408 -3.473 -6.349 1.00 0.00 C ATOM 692 CE1 HIS A 45 11.022 -4.712 -7.087 1.00 0.00 C ATOM 693 NE2 HIS A 45 9.755 -4.771 -6.684 1.00 0.00 N ATOM 0 H HIS A 45 9.480 1.059 -6.386 1.00 0.00 H new ATOM 0 HA HIS A 45 11.120 -0.341 -8.322 1.00 0.00 H new ATOM 0 HB2 HIS A 45 11.621 -0.910 -6.094 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.947 -0.828 -5.582 1.00 0.00 H new ATOM 0 HD1 HIS A 45 12.440 -3.159 -7.290 1.00 0.00 H new ATOM 0 HD2 HIS A 45 8.444 -3.163 -5.974 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.595 -5.566 -7.416 1.00 0.00 H new ATOM 701 N THR A 46 7.907 -0.986 -7.985 1.00 0.00 N ATOM 702 CA THR A 46 6.801 -1.711 -8.590 1.00 0.00 C ATOM 703 C THR A 46 6.834 -1.603 -10.097 1.00 0.00 C ATOM 704 O THR A 46 6.698 -2.605 -10.797 1.00 0.00 O ATOM 705 CB THR A 46 5.468 -1.173 -8.049 1.00 0.00 C ATOM 706 OG1 THR A 46 5.311 -1.602 -6.705 1.00 0.00 O ATOM 707 CG2 THR A 46 4.267 -1.668 -8.884 1.00 0.00 C ATOM 0 H THR A 46 7.646 -0.351 -7.231 1.00 0.00 H new ATOM 0 HA THR A 46 6.899 -2.764 -8.328 1.00 0.00 H new ATOM 0 HB THR A 46 5.491 -0.085 -8.109 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.064 -1.278 -6.168 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.344 -1.265 -8.468 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.378 -1.332 -9.915 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.231 -2.757 -8.859 1.00 0.00 H new ATOM 715 N LYS A 47 7.003 -0.403 -10.600 1.00 0.00 N ATOM 716 CA LYS A 47 7.034 -0.233 -12.039 1.00 0.00 C ATOM 717 C LYS A 47 8.353 -0.712 -12.622 1.00 0.00 C ATOM 718 O LYS A 47 8.385 -1.272 -13.718 1.00 0.00 O ATOM 719 CB LYS A 47 6.793 1.222 -12.408 1.00 0.00 C ATOM 720 CG LYS A 47 5.388 1.631 -11.958 1.00 0.00 C ATOM 721 CD LYS A 47 5.004 2.958 -12.610 1.00 0.00 C ATOM 722 CE LYS A 47 5.850 4.095 -12.035 1.00 0.00 C ATOM 723 NZ LYS A 47 5.295 5.401 -12.487 1.00 0.00 N ATOM 0 H LYS A 47 7.119 0.451 -10.054 1.00 0.00 H new ATOM 0 HA LYS A 47 6.236 -0.841 -12.464 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.539 1.858 -11.933 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.897 1.358 -13.484 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.669 0.859 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.357 1.726 -10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.149 2.897 -13.689 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.946 3.161 -12.442 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.853 4.046 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.885 3.994 -12.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.869 6.176 -12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.314 5.445 -13.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.314 5.495 -12.154 1.00 0.00 H new ATOM 737 N GLY A 48 9.444 -0.489 -11.897 1.00 0.00 N ATOM 738 CA GLY A 48 10.751 -0.906 -12.380 1.00 0.00 C ATOM 739 C GLY A 48 10.708 -2.341 -12.887 1.00 0.00 C ATOM 740 O GLY A 48 11.504 -2.729 -13.742 1.00 0.00 O ATOM 0 H GLY A 48 9.449 -0.029 -10.987 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.076 -0.242 -13.181 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.484 -0.821 -11.578 1.00 0.00 H new ATOM 744 N CYS A 49 9.762 -3.124 -12.363 1.00 0.00 N ATOM 745 CA CYS A 49 9.608 -4.528 -12.781 1.00 0.00 C ATOM 746 C CYS A 49 8.280 -4.713 -13.527 1.00 0.00 C ATOM 747 O CYS A 49 7.219 -4.340 -13.023 1.00 0.00 O ATOM 748 CB CYS A 49 9.685 -5.444 -11.551 1.00 0.00 C ATOM 749 SG CYS A 49 11.416 -5.848 -11.208 1.00 0.00 S ATOM 0 H CYS A 49 9.095 -2.818 -11.655 1.00 0.00 H new ATOM 0 HA CYS A 49 10.416 -4.796 -13.462 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.238 -4.951 -10.688 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.115 -6.356 -11.727 1.00 0.00 H new ATOM 0 HG CYS A 49 11.483 -6.622 -10.165 1.00 0.00 H new ATOM 755 N LYS A 50 8.341 -5.296 -14.728 1.00 0.00 N ATOM 756 CA LYS A 50 7.138 -5.528 -15.527 1.00 0.00 C ATOM 757 C LYS A 50 6.416 -6.788 -15.060 1.00 0.00 C ATOM 758 O LYS A 50 5.189 -6.867 -15.114 1.00 0.00 O ATOM 759 CB LYS A 50 7.512 -5.653 -17.011 1.00 0.00 C ATOM 760 CG LYS A 50 8.131 -4.340 -17.524 1.00 0.00 C ATOM 761 CD LYS A 50 7.036 -3.301 -17.809 1.00 0.00 C ATOM 762 CE LYS A 50 7.675 -2.023 -18.358 1.00 0.00 C ATOM 763 NZ LYS A 50 6.609 -1.021 -18.637 1.00 0.00 N ATOM 0 H LYS A 50 9.206 -5.614 -15.165 1.00 0.00 H new ATOM 0 HA LYS A 50 6.466 -4.679 -15.398 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.218 -6.472 -17.146 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.625 -5.897 -17.596 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.829 -3.947 -16.784 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.703 -4.532 -18.432 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.320 -3.700 -18.527 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.483 -3.080 -16.896 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.389 -1.621 -17.639 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.231 -2.243 -19.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.039 -0.151 -19.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.945 -1.407 -19.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.097 -0.804 -17.758 1.00 0.00 H new ATOM 777 N ARG A 51 7.183 -7.760 -14.586 1.00 0.00 N ATOM 778 CA ARG A 51 6.604 -8.999 -14.091 1.00 0.00 C ATOM 779 C ARG A 51 5.856 -8.723 -12.795 1.00 0.00 C ATOM 780 O ARG A 51 4.799 -9.297 -12.535 1.00 0.00 O ATOM 781 CB ARG A 51 7.707 -10.047 -13.867 1.00 0.00 C ATOM 782 CG ARG A 51 7.123 -11.325 -13.210 1.00 0.00 C ATOM 783 CD ARG A 51 7.482 -11.374 -11.719 1.00 0.00 C ATOM 784 NE ARG A 51 8.930 -11.430 -11.557 1.00 0.00 N ATOM 785 CZ ARG A 51 9.593 -12.575 -11.681 1.00 0.00 C ATOM 786 NH1 ARG A 51 8.950 -13.676 -11.962 1.00 0.00 N ATOM 787 NH2 ARG A 51 10.888 -12.597 -11.529 1.00 0.00 N ATOM 0 H ARG A 51 8.201 -7.715 -14.534 1.00 0.00 H new ATOM 0 HA ARG A 51 5.904 -9.394 -14.828 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.172 -10.302 -14.819 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.488 -9.630 -13.232 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.040 -11.340 -13.330 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.512 -12.210 -13.713 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.085 -10.495 -11.212 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.022 -12.246 -11.254 1.00 0.00 H new ATOM 0 HE ARG A 51 9.443 -10.575 -11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.938 -13.658 -12.087 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.460 -14.554 -12.057 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.391 -11.736 -11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.398 -13.475 -11.624 1.00 0.00 H new ATOM 801 N LYS A 52 6.422 -7.835 -11.989 1.00 0.00 N ATOM 802 CA LYS A 52 5.832 -7.462 -10.723 1.00 0.00 C ATOM 803 C LYS A 52 4.548 -6.677 -10.932 1.00 0.00 C ATOM 804 O LYS A 52 3.576 -6.846 -10.195 1.00 0.00 O ATOM 805 CB LYS A 52 6.846 -6.627 -9.933 1.00 0.00 C ATOM 806 CG LYS A 52 6.164 -5.852 -8.794 1.00 0.00 C ATOM 807 CD LYS A 52 7.171 -5.528 -7.681 1.00 0.00 C ATOM 808 CE LYS A 52 6.454 -4.960 -6.439 1.00 0.00 C ATOM 809 NZ LYS A 52 7.304 -5.187 -5.235 1.00 0.00 N ATOM 0 H LYS A 52 7.299 -7.358 -12.198 1.00 0.00 H new ATOM 0 HA LYS A 52 5.580 -8.363 -10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.616 -7.280 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.346 -5.928 -10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.733 -4.929 -9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.342 -6.441 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.720 -6.429 -7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.902 -4.807 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.264 -3.895 -6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.485 -5.443 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.250 -4.357 -4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.965 -6.027 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.290 -5.335 -5.529 1.00 0.00 H new ATOM 823 N THR A 53 4.560 -5.800 -11.922 1.00 0.00 N ATOM 824 CA THR A 53 3.396 -4.976 -12.192 1.00 0.00 C ATOM 825 C THR A 53 2.214 -5.839 -12.603 1.00 0.00 C ATOM 826 O THR A 53 1.065 -5.401 -12.546 1.00 0.00 O ATOM 827 CB THR A 53 3.724 -3.926 -13.276 1.00 0.00 C ATOM 828 OG1 THR A 53 4.447 -2.855 -12.686 1.00 0.00 O ATOM 829 CG2 THR A 53 2.446 -3.373 -13.939 1.00 0.00 C ATOM 0 H THR A 53 5.352 -5.642 -12.544 1.00 0.00 H new ATOM 0 HA THR A 53 3.121 -4.447 -11.279 1.00 0.00 H new ATOM 0 HB THR A 53 4.321 -4.412 -14.048 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.151 -3.215 -12.107 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.718 -2.637 -14.696 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.897 -4.190 -14.408 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.819 -2.901 -13.183 1.00 0.00 H new ATOM 837 N ASN A 54 2.497 -7.066 -13.009 1.00 0.00 N ATOM 838 CA ASN A 54 1.443 -7.978 -13.417 1.00 0.00 C ATOM 839 C ASN A 54 0.876 -8.697 -12.199 1.00 0.00 C ATOM 840 O ASN A 54 -0.012 -9.540 -12.330 1.00 0.00 O ATOM 841 CB ASN A 54 2.003 -9.012 -14.394 1.00 0.00 C ATOM 842 CG ASN A 54 2.433 -8.333 -15.689 1.00 0.00 C ATOM 843 OD1 ASN A 54 1.893 -7.290 -16.056 1.00 0.00 O ATOM 844 ND2 ASN A 54 3.385 -8.866 -16.405 1.00 0.00 N ATOM 0 H ASN A 54 3.440 -7.451 -13.064 1.00 0.00 H new ATOM 0 HA ASN A 54 0.652 -7.406 -13.902 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.853 -9.525 -13.944 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.248 -9.770 -14.605 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.683 -8.418 -17.271 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.831 -9.731 -16.098 1.00 0.00 H new ATOM 851 N GLY A 55 1.404 -8.381 -11.010 1.00 0.00 N ATOM 852 CA GLY A 55 0.938 -9.037 -9.786 1.00 0.00 C ATOM 853 C GLY A 55 1.943 -10.090 -9.351 1.00 0.00 C ATOM 854 O GLY A 55 1.745 -10.785 -8.355 1.00 0.00 O ATOM 0 H GLY A 55 2.140 -7.689 -10.872 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.806 -8.299 -8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.035 -9.498 -9.958 1.00 0.00 H new ATOM 858 N GLY A 56 3.014 -10.216 -10.125 1.00 0.00 N ATOM 859 CA GLY A 56 4.037 -11.205 -9.837 1.00 0.00 C ATOM 860 C GLY A 56 4.424 -11.182 -8.363 1.00 0.00 C ATOM 861 O GLY A 56 4.501 -12.226 -7.719 1.00 0.00 O ATOM 0 H GLY A 56 3.193 -9.647 -10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.674 -12.197 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.917 -11.011 -10.450 1.00 0.00 H new ATOM 865 N CYS A 57 4.696 -9.992 -7.838 1.00 0.00 N ATOM 866 CA CYS A 57 5.103 -9.851 -6.466 1.00 0.00 C ATOM 867 C CYS A 57 3.920 -9.770 -5.506 1.00 0.00 C ATOM 868 O CYS A 57 2.985 -9.008 -5.751 1.00 0.00 O ATOM 869 CB CYS A 57 5.879 -8.559 -6.326 1.00 0.00 C ATOM 870 SG CYS A 57 6.711 -8.562 -4.726 1.00 0.00 S ATOM 0 H CYS A 57 4.638 -9.114 -8.354 1.00 0.00 H new ATOM 0 HA CYS A 57 5.696 -10.730 -6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.607 -8.465 -7.132 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.208 -7.704 -6.402 1.00 0.00 H new ATOM 0 HG CYS A 57 7.668 -9.442 -4.736 1.00 0.00 H new ATOM 876 N PRO A 58 3.959 -10.450 -4.387 1.00 0.00 N ATOM 877 CA PRO A 58 2.878 -10.323 -3.380 1.00 0.00 C ATOM 878 C PRO A 58 2.619 -8.843 -3.095 1.00 0.00 C ATOM 879 O PRO A 58 1.505 -8.448 -2.756 1.00 0.00 O ATOM 880 CB PRO A 58 3.443 -11.039 -2.145 1.00 0.00 C ATOM 881 CG PRO A 58 4.407 -12.039 -2.694 1.00 0.00 C ATOM 882 CD PRO A 58 4.991 -11.418 -3.963 1.00 0.00 C ATOM 0 HA PRO A 58 1.927 -10.749 -3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.939 -10.338 -1.473 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.652 -11.524 -1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.193 -12.259 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.906 -12.981 -2.917 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.944 -10.927 -3.766 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.173 -12.171 -4.730 1.00 0.00 H new ATOM 890 N ILE A 59 3.666 -8.029 -3.274 1.00 0.00 N ATOM 891 CA ILE A 59 3.549 -6.593 -3.075 1.00 0.00 C ATOM 892 C ILE A 59 2.620 -6.020 -4.125 1.00 0.00 C ATOM 893 O ILE A 59 1.736 -5.233 -3.808 1.00 0.00 O ATOM 894 CB ILE A 59 4.936 -5.912 -3.145 1.00 0.00 C ATOM 895 CG1 ILE A 59 5.700 -6.213 -1.858 1.00 0.00 C ATOM 896 CG2 ILE A 59 4.804 -4.392 -3.321 1.00 0.00 C ATOM 897 CD1 ILE A 59 7.151 -5.729 -1.983 1.00 0.00 C ATOM 0 H ILE A 59 4.595 -8.344 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 59 3.137 -6.402 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 59 5.474 -6.305 -4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.215 -5.721 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.681 -7.284 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.796 -3.943 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.266 -4.178 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.255 -3.974 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.688 -5.948 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.635 -6.241 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.162 -4.654 -2.163 1.00 0.00 H new ATOM 909 N CYS A 60 2.796 -6.434 -5.379 1.00 0.00 N ATOM 910 CA CYS A 60 1.924 -5.939 -6.427 1.00 0.00 C ATOM 911 C CYS A 60 0.577 -6.619 -6.338 1.00 0.00 C ATOM 912 O CYS A 60 -0.463 -5.986 -6.496 1.00 0.00 O ATOM 913 CB CYS A 60 2.539 -6.114 -7.826 1.00 0.00 C ATOM 914 SG CYS A 60 3.405 -4.596 -8.269 1.00 0.00 S ATOM 0 H CYS A 60 3.514 -7.092 -5.682 1.00 0.00 H new ATOM 0 HA CYS A 60 1.794 -4.867 -6.275 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.228 -6.958 -7.833 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.760 -6.332 -8.557 1.00 0.00 H new ATOM 0 HG CYS A 60 2.551 -3.620 -8.361 1.00 0.00 H new ATOM 920 N LYS A 61 0.590 -7.904 -6.071 1.00 0.00 N ATOM 921 CA LYS A 61 -0.666 -8.622 -5.965 1.00 0.00 C ATOM 922 C LYS A 61 -1.538 -7.973 -4.890 1.00 0.00 C ATOM 923 O LYS A 61 -2.710 -7.663 -5.122 1.00 0.00 O ATOM 924 CB LYS A 61 -0.393 -10.079 -5.610 1.00 0.00 C ATOM 925 CG LYS A 61 -1.605 -10.931 -5.988 1.00 0.00 C ATOM 926 CD LYS A 61 -1.418 -12.351 -5.461 1.00 0.00 C ATOM 927 CE LYS A 61 -0.261 -13.040 -6.195 1.00 0.00 C ATOM 928 NZ LYS A 61 -0.347 -14.511 -5.981 1.00 0.00 N ATOM 0 H LYS A 61 1.430 -8.465 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.191 -8.582 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.493 -10.433 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.188 -10.172 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.513 -10.495 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.727 -10.947 -7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.215 -12.326 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.337 -12.922 -5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.305 -12.813 -7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.693 -12.663 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.437 -14.981 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.285 -14.718 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.253 -14.863 -6.352 1.00 0.00 H new ATOM 942 N GLN A 62 -0.946 -7.755 -3.721 1.00 0.00 N ATOM 943 CA GLN A 62 -1.660 -7.128 -2.617 1.00 0.00 C ATOM 944 C GLN A 62 -1.945 -5.653 -2.905 1.00 0.00 C ATOM 945 O GLN A 62 -3.037 -5.159 -2.619 1.00 0.00 O ATOM 946 CB GLN A 62 -0.839 -7.251 -1.333 1.00 0.00 C ATOM 947 CG GLN A 62 -0.802 -8.715 -0.887 1.00 0.00 C ATOM 948 CD GLN A 62 0.111 -8.867 0.325 1.00 0.00 C ATOM 949 OE1 GLN A 62 0.650 -7.880 0.824 1.00 0.00 O ATOM 950 NE2 GLN A 62 0.317 -10.052 0.831 1.00 0.00 N ATOM 0 H GLN A 62 0.022 -8.002 -3.515 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.614 -7.642 -2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.174 -6.885 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.276 -6.632 -0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.808 -9.054 -0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.445 -9.344 -1.703 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.131 -10.869 0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.926 -10.161 1.642 1.00 0.00 H new ATOM 959 N LEU A 63 -0.955 -4.948 -3.457 1.00 0.00 N ATOM 960 CA LEU A 63 -1.120 -3.524 -3.758 1.00 0.00 C ATOM 961 C LEU A 63 -2.194 -3.321 -4.822 1.00 0.00 C ATOM 962 O LEU A 63 -3.002 -2.398 -4.727 1.00 0.00 O ATOM 963 CB LEU A 63 0.207 -2.907 -4.207 1.00 0.00 C ATOM 964 CG LEU A 63 0.070 -1.391 -4.386 1.00 0.00 C ATOM 965 CD1 LEU A 63 -0.250 -0.704 -3.042 1.00 0.00 C ATOM 966 CD2 LEU A 63 1.396 -0.859 -4.934 1.00 0.00 C ATOM 0 H LEU A 63 -0.043 -5.333 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.440 -3.018 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.981 -3.122 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.525 -3.361 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.748 -1.177 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.342 0.371 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.187 -1.096 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.553 -0.901 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.326 0.220 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.197 -1.084 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.610 -1.333 -5.892 1.00 0.00 H new ATOM 978 N ILE A 64 -2.215 -4.197 -5.824 1.00 0.00 N ATOM 979 CA ILE A 64 -3.216 -4.106 -6.876 1.00 0.00 C ATOM 980 C ILE A 64 -4.603 -4.258 -6.260 1.00 0.00 C ATOM 981 O ILE A 64 -5.530 -3.527 -6.602 1.00 0.00 O ATOM 982 CB ILE A 64 -2.963 -5.196 -7.933 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.748 -4.805 -8.781 1.00 0.00 C ATOM 984 CG2 ILE A 64 -4.183 -5.351 -8.847 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.292 -6.002 -9.623 1.00 0.00 C ATOM 0 H ILE A 64 -1.556 -4.969 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.152 -3.135 -7.367 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.779 -6.142 -7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.002 -3.968 -9.431 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.935 -4.473 -8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.986 -6.126 -9.588 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.051 -5.631 -8.251 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.381 -4.406 -9.353 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.428 -5.717 -10.223 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.020 -6.827 -8.965 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.103 -6.314 -10.281 1.00 0.00 H new ATOM 997 N ALA A 65 -4.737 -5.200 -5.337 1.00 0.00 N ATOM 998 CA ALA A 65 -6.013 -5.406 -4.671 1.00 0.00 C ATOM 999 C ALA A 65 -6.351 -4.190 -3.820 1.00 0.00 C ATOM 1000 O ALA A 65 -7.473 -3.689 -3.857 1.00 0.00 O ATOM 1001 CB ALA A 65 -5.959 -6.655 -3.791 1.00 0.00 C ATOM 0 H ALA A 65 -3.989 -5.825 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.785 -5.544 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.922 -6.796 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.736 -7.525 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.181 -6.536 -3.037 1.00 0.00 H new ATOM 1007 N LEU A 66 -5.362 -3.696 -3.083 1.00 0.00 N ATOM 1008 CA LEU A 66 -5.565 -2.512 -2.260 1.00 0.00 C ATOM 1009 C LEU A 66 -5.953 -1.371 -3.179 1.00 0.00 C ATOM 1010 O LEU A 66 -6.857 -0.587 -2.887 1.00 0.00 O ATOM 1011 CB LEU A 66 -4.281 -2.178 -1.491 1.00 0.00 C ATOM 1012 CG LEU A 66 -4.391 -0.816 -0.799 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -5.646 -0.763 0.079 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -3.152 -0.620 0.079 1.00 0.00 C ATOM 0 H LEU A 66 -4.423 -4.092 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.353 -2.684 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.086 -2.952 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.434 -2.174 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.458 -0.030 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.710 0.211 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.530 -0.919 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.592 -1.543 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.211 0.346 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.105 -1.414 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.257 -0.652 -0.542 1.00 0.00 H new ATOM 1026 N ALA A 67 -5.276 -1.325 -4.316 1.00 0.00 N ATOM 1027 CA ALA A 67 -5.553 -0.328 -5.328 1.00 0.00 C ATOM 1028 C ALA A 67 -6.956 -0.546 -5.874 1.00 0.00 C ATOM 1029 O ALA A 67 -7.657 0.405 -6.211 1.00 0.00 O ATOM 1030 CB ALA A 67 -4.544 -0.456 -6.464 1.00 0.00 C ATOM 0 H ALA A 67 -4.527 -1.973 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.478 0.667 -4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.755 0.296 -7.224 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.537 -0.306 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.618 -1.450 -6.906 1.00 0.00 H new ATOM 1036 N ALA A 68 -7.357 -1.814 -5.960 1.00 0.00 N ATOM 1037 CA ALA A 68 -8.684 -2.142 -6.470 1.00 0.00 C ATOM 1038 C ALA A 68 -9.755 -1.502 -5.593 1.00 0.00 C ATOM 1039 O ALA A 68 -10.682 -0.868 -6.092 1.00 0.00 O ATOM 1040 CB ALA A 68 -8.882 -3.658 -6.507 1.00 0.00 C ATOM 0 H ALA A 68 -6.791 -2.618 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.772 -1.751 -7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.877 -3.886 -6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.131 -4.107 -7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.779 -4.063 -5.500 1.00 0.00 H new ATOM 1046 N TYR A 69 -9.616 -1.666 -4.282 1.00 0.00 N ATOM 1047 CA TYR A 69 -10.579 -1.089 -3.351 1.00 0.00 C ATOM 1048 C TYR A 69 -10.601 0.436 -3.467 1.00 0.00 C ATOM 1049 O TYR A 69 -11.670 1.044 -3.510 1.00 0.00 O ATOM 1050 CB TYR A 69 -10.233 -1.489 -1.912 1.00 0.00 C ATOM 1051 CG TYR A 69 -10.573 -2.947 -1.689 1.00 0.00 C ATOM 1052 CD1 TYR A 69 -11.907 -3.334 -1.513 1.00 0.00 C ATOM 1053 CD2 TYR A 69 -9.557 -3.909 -1.652 1.00 0.00 C ATOM 1054 CE1 TYR A 69 -12.225 -4.681 -1.306 1.00 0.00 C ATOM 1055 CE2 TYR A 69 -9.875 -5.257 -1.445 1.00 0.00 C ATOM 1056 CZ TYR A 69 -11.209 -5.643 -1.272 1.00 0.00 C ATOM 1057 OH TYR A 69 -11.523 -6.971 -1.066 1.00 0.00 O ATOM 0 H TYR A 69 -8.856 -2.187 -3.844 1.00 0.00 H new ATOM 0 HA TYR A 69 -11.566 -1.475 -3.605 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.173 -1.320 -1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.785 -0.866 -1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.691 -2.592 -1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.527 -3.611 -1.783 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.255 -4.978 -1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.091 -5.999 -1.419 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.702 -7.506 -1.072 1.00 0.00 H new ATOM 1067 N HIS A 70 -9.419 1.052 -3.514 1.00 0.00 N ATOM 1068 CA HIS A 70 -9.335 2.509 -3.619 1.00 0.00 C ATOM 1069 C HIS A 70 -9.792 3.006 -4.990 1.00 0.00 C ATOM 1070 O HIS A 70 -10.607 3.923 -5.087 1.00 0.00 O ATOM 1071 CB HIS A 70 -7.899 2.968 -3.367 1.00 0.00 C ATOM 1072 CG HIS A 70 -7.828 4.466 -3.485 1.00 0.00 C ATOM 1073 ND1 HIS A 70 -8.693 5.303 -2.798 1.00 0.00 N ATOM 1074 CD2 HIS A 70 -7.006 5.289 -4.212 1.00 0.00 C ATOM 1075 CE1 HIS A 70 -8.374 6.569 -3.124 1.00 0.00 C ATOM 1076 NE2 HIS A 70 -7.353 6.617 -3.982 1.00 0.00 N ATOM 0 H HIS A 70 -8.519 0.573 -3.482 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.000 2.931 -2.866 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.573 2.654 -2.375 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.225 2.503 -4.086 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.211 4.957 -4.863 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.882 7.440 -2.738 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.920 7.449 -4.383 1.00 0.00 H new ATOM 1084 N ALA A 71 -9.257 2.404 -6.045 1.00 0.00 N ATOM 1085 CA ALA A 71 -9.612 2.805 -7.404 1.00 0.00 C ATOM 1086 C ALA A 71 -11.109 2.637 -7.640 1.00 0.00 C ATOM 1087 O ALA A 71 -11.694 3.318 -8.483 1.00 0.00 O ATOM 1088 CB ALA A 71 -8.832 1.976 -8.424 1.00 0.00 C ATOM 0 H ALA A 71 -8.581 1.642 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.353 3.857 -7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.107 2.286 -9.432 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.763 2.129 -8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.069 0.920 -8.292 1.00 0.00 H new ATOM 1094 N LYS A 72 -11.727 1.743 -6.876 1.00 0.00 N ATOM 1095 CA LYS A 72 -13.162 1.514 -6.995 1.00 0.00 C ATOM 1096 C LYS A 72 -13.923 2.636 -6.297 1.00 0.00 C ATOM 1097 O LYS A 72 -14.756 3.304 -6.911 1.00 0.00 O ATOM 1098 CB LYS A 72 -13.530 0.158 -6.376 1.00 0.00 C ATOM 1099 CG LYS A 72 -13.260 -0.967 -7.392 1.00 0.00 C ATOM 1100 CD LYS A 72 -13.379 -2.347 -6.721 1.00 0.00 C ATOM 1101 CE LYS A 72 -13.016 -3.432 -7.736 1.00 0.00 C ATOM 1102 NZ LYS A 72 -13.060 -4.763 -7.068 1.00 0.00 N ATOM 0 H LYS A 72 -11.261 1.169 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.437 1.503 -8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.947 -0.009 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.580 0.154 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.969 -0.896 -8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.263 -0.849 -7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.716 -2.403 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.394 -2.500 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.712 -3.410 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.021 -3.248 -8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.814 -5.504 -7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.380 -4.779 -6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.018 -4.936 -6.701 1.00 0.00 H new ATOM 1116 N HIS A 73 -13.629 2.851 -5.018 1.00 0.00 N ATOM 1117 CA HIS A 73 -14.295 3.904 -4.279 1.00 0.00 C ATOM 1118 C HIS A 73 -14.056 5.241 -4.958 1.00 0.00 C ATOM 1119 O HIS A 73 -14.977 6.046 -5.098 1.00 0.00 O ATOM 1120 CB HIS A 73 -13.797 3.931 -2.832 1.00 0.00 C ATOM 1121 CG HIS A 73 -14.518 5.002 -2.062 1.00 0.00 C ATOM 1122 ND1 HIS A 73 -13.896 6.182 -1.684 1.00 0.00 N ATOM 1123 CD2 HIS A 73 -15.802 5.085 -1.581 1.00 0.00 C ATOM 1124 CE1 HIS A 73 -14.798 6.918 -1.009 1.00 0.00 C ATOM 1125 NE2 HIS A 73 -15.977 6.295 -0.917 1.00 0.00 N ATOM 0 H HIS A 73 -12.944 2.316 -4.484 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.367 3.709 -4.265 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.962 2.961 -2.363 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.723 4.117 -2.811 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -16.561 4.326 -1.700 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.594 7.893 -0.592 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -16.823 6.634 -0.459 1.00 0.00 H new ATOM 1133 N CYS A 74 -12.833 5.462 -5.425 1.00 0.00 N ATOM 1134 CA CYS A 74 -12.533 6.690 -6.135 1.00 0.00 C ATOM 1135 C CYS A 74 -13.125 6.578 -7.530 1.00 0.00 C ATOM 1136 O CYS A 74 -12.597 5.867 -8.384 1.00 0.00 O ATOM 1137 CB CYS A 74 -11.022 6.902 -6.216 1.00 0.00 C ATOM 1138 SG CYS A 74 -10.679 8.535 -6.913 1.00 0.00 S ATOM 0 H CYS A 74 -12.049 4.817 -5.326 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.961 7.544 -5.610 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.578 6.818 -5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.568 6.128 -6.835 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.497 8.430 -8.196 1.00 0.00 H new ATOM 1144 N GLN A 75 -14.245 7.258 -7.748 1.00 0.00 N ATOM 1145 CA GLN A 75 -14.924 7.198 -9.034 1.00 0.00 C ATOM 1146 C GLN A 75 -14.237 8.123 -10.025 1.00 0.00 C ATOM 1147 O GLN A 75 -14.590 8.190 -11.202 1.00 0.00 O ATOM 1148 CB GLN A 75 -16.399 7.601 -8.849 1.00 0.00 C ATOM 1149 CG GLN A 75 -17.229 7.264 -10.095 1.00 0.00 C ATOM 1150 CD GLN A 75 -17.260 5.756 -10.317 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -17.410 4.992 -9.364 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.124 5.280 -11.524 1.00 0.00 N ATOM 0 H GLN A 75 -14.699 7.853 -7.055 1.00 0.00 H new ATOM 0 HA GLN A 75 -14.880 6.182 -9.426 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -16.813 7.085 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.463 8.670 -8.644 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -18.244 7.642 -9.977 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -16.804 7.759 -10.968 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.000 5.916 -12.312 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.142 4.272 -11.680 1.00 0.00 H new ATOM 1161 N GLU A 76 -13.239 8.830 -9.528 1.00 0.00 N ATOM 1162 CA GLU A 76 -12.474 9.764 -10.348 1.00 0.00 C ATOM 1163 C GLU A 76 -11.097 9.212 -10.629 1.00 0.00 C ATOM 1164 O GLU A 76 -10.463 8.611 -9.762 1.00 0.00 O ATOM 1165 CB GLU A 76 -12.360 11.113 -9.636 1.00 0.00 C ATOM 1166 CG GLU A 76 -11.624 12.108 -10.535 1.00 0.00 C ATOM 1167 CD GLU A 76 -11.610 13.486 -9.884 1.00 0.00 C ATOM 1168 OE1 GLU A 76 -11.950 13.571 -8.715 1.00 0.00 O ATOM 1169 OE2 GLU A 76 -11.262 14.437 -10.564 1.00 0.00 O ATOM 0 H GLU A 76 -12.935 8.778 -8.556 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.995 9.903 -11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.353 11.492 -9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.825 10.994 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.603 11.768 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.112 12.161 -11.508 1.00 0.00 H new ATOM 1176 N ASN A 77 -10.634 9.429 -11.850 1.00 0.00 N ATOM 1177 CA ASN A 77 -9.325 8.956 -12.232 1.00 0.00 C ATOM 1178 C ASN A 77 -8.291 9.919 -11.697 1.00 0.00 C ATOM 1179 O ASN A 77 -7.889 10.850 -12.395 1.00 0.00 O ATOM 1180 CB ASN A 77 -9.213 8.870 -13.757 1.00 0.00 C ATOM 1181 CG ASN A 77 -7.778 8.554 -14.166 1.00 0.00 C ATOM 1182 OD1 ASN A 77 -7.189 7.584 -13.687 1.00 0.00 O ATOM 1183 ND2 ASN A 77 -7.175 9.326 -15.031 1.00 0.00 N ATOM 0 H ASN A 77 -11.143 9.925 -12.582 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.161 7.961 -11.819 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.884 8.099 -14.135 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.527 9.813 -14.205 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.215 9.126 -15.311 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.665 10.129 -15.426 1.00 0.00 H new ATOM 1190 N LYS A 78 -7.881 9.705 -10.444 1.00 0.00 N ATOM 1191 CA LYS A 78 -6.901 10.583 -9.801 1.00 0.00 C ATOM 1192 C LYS A 78 -5.912 11.127 -10.832 1.00 0.00 C ATOM 1193 O LYS A 78 -5.952 12.317 -11.136 1.00 0.00 O ATOM 1194 CB LYS A 78 -6.162 9.830 -8.680 1.00 0.00 C ATOM 1195 CG LYS A 78 -7.042 9.725 -7.422 1.00 0.00 C ATOM 1196 CD LYS A 78 -7.048 11.063 -6.657 1.00 0.00 C ATOM 1197 CE LYS A 78 -7.838 10.921 -5.353 1.00 0.00 C ATOM 1198 NZ LYS A 78 -7.986 12.264 -4.727 1.00 0.00 N ATOM 0 H LYS A 78 -8.210 8.937 -9.859 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.428 11.427 -9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.890 8.832 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.234 10.348 -8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.060 9.456 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.670 8.931 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.025 11.371 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.491 11.843 -7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.818 10.488 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.323 10.243 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.522 12.176 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.045 12.659 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.495 12.896 -5.378 1.00 0.00 H new ATOM 1212 N CYS A 79 -5.086 10.227 -11.394 1.00 0.00 N ATOM 1213 CA CYS A 79 -4.109 10.555 -12.452 1.00 0.00 C ATOM 1214 C CYS A 79 -2.693 10.057 -12.124 1.00 0.00 C ATOM 1215 O CYS A 79 -2.152 9.252 -12.880 1.00 0.00 O ATOM 1216 CB CYS A 79 -4.083 12.048 -12.819 1.00 0.00 C ATOM 1217 SG CYS A 79 -2.747 12.344 -14.006 1.00 0.00 S ATOM 0 H CYS A 79 -5.076 9.243 -11.126 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.461 10.015 -13.331 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.040 12.346 -13.248 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.932 12.652 -11.925 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.720 13.604 -14.323 1.00 0.00 H new ATOM 1223 N PRO A 80 -2.062 10.490 -11.053 1.00 0.00 N ATOM 1224 CA PRO A 80 -0.681 10.022 -10.723 1.00 0.00 C ATOM 1225 C PRO A 80 -0.647 8.531 -10.370 1.00 0.00 C ATOM 1226 O PRO A 80 0.348 7.860 -10.621 1.00 0.00 O ATOM 1227 CB PRO A 80 -0.301 10.878 -9.509 1.00 0.00 C ATOM 1228 CG PRO A 80 -1.603 11.161 -8.865 1.00 0.00 C ATOM 1229 CD PRO A 80 -2.546 11.437 -10.032 1.00 0.00 C ATOM 0 HA PRO A 80 0.005 10.129 -11.564 1.00 0.00 H new ATOM 0 HB2 PRO A 80 0.372 10.345 -8.837 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.207 11.795 -9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.944 10.315 -8.269 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.538 12.018 -8.195 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.587 11.253 -9.767 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.482 12.471 -10.372 1.00 0.00 H new ATOM 1237 N VAL A 81 -1.736 8.027 -9.780 1.00 0.00 N ATOM 1238 CA VAL A 81 -1.806 6.617 -9.388 1.00 0.00 C ATOM 1239 C VAL A 81 -1.746 5.717 -10.636 1.00 0.00 C ATOM 1240 O VAL A 81 -2.687 5.721 -11.430 1.00 0.00 O ATOM 1241 CB VAL A 81 -3.114 6.354 -8.628 1.00 0.00 C ATOM 1242 CG1 VAL A 81 -3.010 5.032 -7.860 1.00 0.00 C ATOM 1243 CG2 VAL A 81 -3.382 7.494 -7.641 1.00 0.00 C ATOM 0 H VAL A 81 -2.573 8.569 -9.565 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.958 6.388 -8.742 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.934 6.296 -9.344 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.940 4.849 -7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.830 4.217 -8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.185 5.088 -7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.311 7.301 -7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.560 7.559 -6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.466 8.435 -8.186 1.00 0.00 H new ATOM 1253 N PRO A 82 -0.679 4.963 -10.856 1.00 0.00 N ATOM 1254 CA PRO A 82 -0.569 4.087 -12.071 1.00 0.00 C ATOM 1255 C PRO A 82 -1.745 3.124 -12.263 1.00 0.00 C ATOM 1256 O PRO A 82 -2.309 3.021 -13.352 1.00 0.00 O ATOM 1257 CB PRO A 82 0.721 3.284 -11.826 1.00 0.00 C ATOM 1258 CG PRO A 82 1.535 4.116 -10.893 1.00 0.00 C ATOM 1259 CD PRO A 82 0.530 4.847 -10.002 1.00 0.00 C ATOM 0 HA PRO A 82 -0.566 4.695 -12.975 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.500 2.309 -11.392 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.255 3.104 -12.759 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.205 3.495 -10.299 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.158 4.823 -11.441 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.323 4.288 -9.089 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.902 5.826 -9.699 1.00 0.00 H new ATOM 1267 N PHE A 83 -2.063 2.390 -11.210 1.00 0.00 N ATOM 1268 CA PHE A 83 -3.127 1.389 -11.272 1.00 0.00 C ATOM 1269 C PHE A 83 -4.476 1.998 -11.635 1.00 0.00 C ATOM 1270 O PHE A 83 -5.192 1.463 -12.483 1.00 0.00 O ATOM 1271 CB PHE A 83 -3.252 0.673 -9.925 1.00 0.00 C ATOM 1272 CG PHE A 83 -1.880 0.520 -9.312 1.00 0.00 C ATOM 1273 CD1 PHE A 83 -0.847 -0.077 -10.046 1.00 0.00 C ATOM 1274 CD2 PHE A 83 -1.643 0.977 -8.011 1.00 0.00 C ATOM 1275 CE1 PHE A 83 0.425 -0.214 -9.478 1.00 0.00 C ATOM 1276 CE2 PHE A 83 -0.373 0.837 -7.442 1.00 0.00 C ATOM 1277 CZ PHE A 83 0.661 0.241 -8.177 1.00 0.00 C ATOM 0 H PHE A 83 -1.604 2.464 -10.302 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.853 0.683 -12.056 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.900 1.241 -9.257 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.713 -0.305 -10.061 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.032 -0.431 -11.049 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.440 1.438 -7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.223 -0.671 -10.044 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.189 1.188 -6.437 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.642 0.133 -7.738 1.00 0.00 H new ATOM 1287 N CYS A 84 -4.835 3.098 -10.989 1.00 0.00 N ATOM 1288 CA CYS A 84 -6.120 3.721 -11.271 1.00 0.00 C ATOM 1289 C CYS A 84 -6.261 3.946 -12.767 1.00 0.00 C ATOM 1290 O CYS A 84 -7.299 3.659 -13.352 1.00 0.00 O ATOM 1291 CB CYS A 84 -6.267 5.045 -10.506 1.00 0.00 C ATOM 1292 SG CYS A 84 -5.526 6.411 -11.444 1.00 0.00 S ATOM 0 H CYS A 84 -4.270 3.569 -10.282 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.915 3.055 -10.936 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.322 5.251 -10.325 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.786 4.963 -9.531 1.00 0.00 H new ATOM 0 HG CYS A 84 -6.406 6.901 -12.266 1.00 0.00 H new ATOM 1298 N LEU A 85 -5.201 4.436 -13.386 1.00 0.00 N ATOM 1299 CA LEU A 85 -5.226 4.667 -14.819 1.00 0.00 C ATOM 1300 C LEU A 85 -5.420 3.333 -15.544 1.00 0.00 C ATOM 1301 O LEU A 85 -6.138 3.244 -16.530 1.00 0.00 O ATOM 1302 CB LEU A 85 -3.905 5.315 -15.273 1.00 0.00 C ATOM 1303 CG LEU A 85 -3.880 6.819 -14.916 1.00 0.00 C ATOM 1304 CD1 LEU A 85 -2.432 7.340 -14.965 1.00 0.00 C ATOM 1305 CD2 LEU A 85 -4.727 7.628 -15.916 1.00 0.00 C ATOM 0 H LEU A 85 -4.323 4.679 -12.926 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.050 5.339 -15.060 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.065 4.810 -14.797 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.784 5.190 -16.349 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.291 6.939 -13.914 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.418 8.400 -14.713 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.823 6.789 -14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.029 7.200 -15.968 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.697 8.684 -15.648 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.326 7.497 -16.921 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.758 7.276 -15.888 1.00 0.00 H new ATOM 1317 N ASN A 86 -4.768 2.301 -15.048 1.00 0.00 N ATOM 1318 CA ASN A 86 -4.855 0.987 -15.662 1.00 0.00 C ATOM 1319 C ASN A 86 -6.241 0.375 -15.510 1.00 0.00 C ATOM 1320 O ASN A 86 -6.643 -0.455 -16.315 1.00 0.00 O ATOM 1321 CB ASN A 86 -3.825 0.062 -15.033 1.00 0.00 C ATOM 1322 CG ASN A 86 -2.420 0.530 -15.392 1.00 0.00 C ATOM 1323 OD1 ASN A 86 -2.233 1.247 -16.376 1.00 0.00 O ATOM 1324 ND2 ASN A 86 -1.415 0.168 -14.644 1.00 0.00 N ATOM 0 H ASN A 86 -4.172 2.344 -14.222 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.658 1.108 -16.727 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.948 0.049 -13.950 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.978 -0.959 -15.383 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.471 0.479 -14.873 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.573 -0.426 -13.830 1.00 0.00 H new ATOM 1331 N ILE A 87 -6.958 0.750 -14.458 1.00 0.00 N ATOM 1332 CA ILE A 87 -8.293 0.201 -14.217 1.00 0.00 C ATOM 1333 C ILE A 87 -9.398 1.155 -14.677 1.00 0.00 C ATOM 1334 O ILE A 87 -10.368 0.737 -15.310 1.00 0.00 O ATOM 1335 CB ILE A 87 -8.450 -0.124 -12.732 1.00 0.00 C ATOM 1336 CG1 ILE A 87 -7.477 -1.252 -12.378 1.00 0.00 C ATOM 1337 CG2 ILE A 87 -9.882 -0.577 -12.449 1.00 0.00 C ATOM 1338 CD1 ILE A 87 -7.403 -1.415 -10.862 1.00 0.00 C ATOM 0 H ILE A 87 -6.644 1.426 -13.762 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.395 -0.711 -14.805 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.236 0.761 -12.133 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.804 -2.185 -12.838 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.488 -1.030 -12.778 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.988 -0.807 -11.389 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.576 0.220 -12.718 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.105 -1.467 -13.038 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.709 -2.219 -10.616 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.055 -0.485 -10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.392 -1.658 -10.473 1.00 0.00 H new ATOM 1350 N LYS A 88 -9.256 2.435 -14.328 1.00 0.00 N ATOM 1351 CA LYS A 88 -10.271 3.443 -14.686 1.00 0.00 C ATOM 1352 C LYS A 88 -10.083 4.005 -16.100 1.00 0.00 C ATOM 1353 O LYS A 88 -11.069 4.258 -16.794 1.00 0.00 O ATOM 1354 CB LYS A 88 -10.299 4.593 -13.651 1.00 0.00 C ATOM 1355 CG LYS A 88 -11.065 4.180 -12.373 1.00 0.00 C ATOM 1356 CD LYS A 88 -12.583 4.141 -12.632 1.00 0.00 C ATOM 1357 CE LYS A 88 -13.328 4.121 -11.295 1.00 0.00 C ATOM 1358 NZ LYS A 88 -14.786 3.968 -11.552 1.00 0.00 N ATOM 0 H LYS A 88 -8.461 2.801 -13.804 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.231 2.927 -14.673 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.279 4.876 -13.391 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.770 5.471 -14.092 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.723 3.200 -12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.847 4.884 -11.570 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.886 5.010 -13.216 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.840 3.258 -13.217 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.967 3.300 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.138 5.043 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.309 4.072 -10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.099 4.698 -12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.971 3.027 -11.953 1.00 0.00 H new ATOM 1372 N GLN A 89 -8.840 4.210 -16.541 1.00 0.00 N ATOM 1373 CA GLN A 89 -8.623 4.749 -17.890 1.00 0.00 C ATOM 1374 C GLN A 89 -8.798 3.650 -18.932 1.00 0.00 C ATOM 1375 O GLN A 89 -9.273 3.907 -20.038 1.00 0.00 O ATOM 1376 CB GLN A 89 -7.227 5.374 -18.027 1.00 0.00 C ATOM 1377 CG GLN A 89 -7.199 6.335 -19.216 1.00 0.00 C ATOM 1378 CD GLN A 89 -5.795 6.906 -19.367 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -4.815 6.171 -19.268 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -5.638 8.180 -19.593 1.00 0.00 N ATOM 0 H GLN A 89 -7.992 4.019 -16.007 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.365 5.530 -18.057 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.966 5.906 -17.112 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.481 4.591 -18.164 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.492 5.813 -20.127 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.918 7.141 -19.065 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.453 8.788 -19.675 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.700 8.569 -19.688 1.00 0.00 H new ATOM 1389 N LYS A 90 -8.419 2.419 -18.581 1.00 0.00 N ATOM 1390 CA LYS A 90 -8.557 1.301 -19.519 1.00 0.00 C ATOM 1391 C LYS A 90 -9.874 0.569 -19.280 1.00 0.00 C ATOM 1392 O LYS A 90 -10.414 0.704 -18.194 1.00 0.00 O ATOM 1393 CB LYS A 90 -7.408 0.316 -19.343 1.00 0.00 C ATOM 1394 CG LYS A 90 -6.075 1.012 -19.636 1.00 0.00 C ATOM 1395 CD LYS A 90 -4.930 0.005 -19.494 1.00 0.00 C ATOM 1396 CE LYS A 90 -3.596 0.706 -19.763 1.00 0.00 C ATOM 1397 NZ LYS A 90 -2.481 -0.274 -19.628 1.00 0.00 N ATOM 1398 OXT LYS A 90 -10.319 -0.120 -20.183 1.00 0.00 O ATOM 0 H LYS A 90 -8.022 2.173 -17.674 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.540 1.705 -20.531 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.407 -0.077 -18.326 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.540 -0.533 -20.013 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.084 1.429 -20.643 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.928 1.845 -18.948 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.932 -0.424 -18.492 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.067 -0.819 -20.194 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.595 1.137 -20.764 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.458 1.529 -19.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.575 0.203 -19.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.478 -0.665 -18.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.611 -1.045 -20.314 1.00 0.00 H new ATOM 1572 N PRO B 12 -3.421 -11.242 14.566 1.00 0.00 N ATOM 1573 CA PRO B 12 -2.959 -10.256 15.596 1.00 0.00 C ATOM 1574 C PRO B 12 -2.265 -9.035 14.977 1.00 0.00 C ATOM 1575 O PRO B 12 -1.102 -9.122 14.585 1.00 0.00 O ATOM 1576 CB PRO B 12 -1.974 -11.079 16.432 1.00 0.00 C ATOM 1577 CG PRO B 12 -2.530 -12.462 16.395 1.00 0.00 C ATOM 1578 CD PRO B 12 -3.123 -12.631 14.992 1.00 0.00 C ATOM 0 HA PRO B 12 -3.786 -9.836 16.168 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -0.968 -11.043 16.013 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -1.908 -10.704 17.453 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -1.752 -13.202 16.584 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -3.293 -12.598 17.162 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -2.419 -13.115 14.315 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -4.023 -13.246 15.009 1.00 0.00 H new ATOM 1586 N PRO B 13 -2.934 -7.902 14.875 1.00 0.00 N ATOM 1587 CA PRO B 13 -2.316 -6.676 14.281 1.00 0.00 C ATOM 1588 C PRO B 13 -1.033 -6.270 15.011 1.00 0.00 C ATOM 1589 O PRO B 13 -1.025 -6.117 16.233 1.00 0.00 O ATOM 1590 CB PRO B 13 -3.411 -5.598 14.430 1.00 0.00 C ATOM 1591 CG PRO B 13 -4.690 -6.358 14.579 1.00 0.00 C ATOM 1592 CD PRO B 13 -4.326 -7.654 15.300 1.00 0.00 C ATOM 0 HA PRO B 13 -2.013 -6.830 13.245 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -3.225 -4.965 15.298 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -3.441 -4.944 13.559 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -5.420 -5.785 15.150 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -5.137 -6.564 13.607 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -4.403 -7.547 16.382 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.986 -8.473 15.013 1.00 0.00 H new ATOM 1600 N LEU B 14 0.047 -6.096 14.250 1.00 0.00 N ATOM 1601 CA LEU B 14 1.339 -5.706 14.820 1.00 0.00 C ATOM 1602 C LEU B 14 1.640 -4.249 14.487 1.00 0.00 C ATOM 1603 O LEU B 14 2.728 -3.752 14.774 1.00 0.00 O ATOM 1604 CB LEU B 14 2.445 -6.603 14.251 1.00 0.00 C ATOM 1605 CG LEU B 14 2.228 -8.061 14.699 1.00 0.00 C ATOM 1606 CD1 LEU B 14 3.094 -8.986 13.843 1.00 0.00 C ATOM 1607 CD2 LEU B 14 2.628 -8.243 16.174 1.00 0.00 C ATOM 0 H LEU B 14 0.054 -6.219 13.237 1.00 0.00 H new ATOM 0 HA LEU B 14 1.298 -5.822 15.903 1.00 0.00 H new ATOM 0 HB2 LEU B 14 2.447 -6.545 13.163 1.00 0.00 H new ATOM 0 HB3 LEU B 14 3.419 -6.251 14.590 1.00 0.00 H new ATOM 0 HG LEU B 14 1.172 -8.305 14.581 1.00 0.00 H new ATOM 0 HD11 LEU B 14 2.943 -10.019 14.157 1.00 0.00 H new ATOM 0 HD12 LEU B 14 2.813 -8.881 12.795 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.144 -8.719 13.966 1.00 0.00 H new ATOM 0 HD21 LEU B 14 2.467 -9.280 16.469 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.681 -7.989 16.299 1.00 0.00 H new ATOM 0 HD23 LEU B 14 2.020 -7.589 16.799 1.00 0.00 H new ATOM 1619 N SER B 15 0.666 -3.580 13.865 1.00 0.00 N ATOM 1620 CA SER B 15 0.809 -2.176 13.466 1.00 0.00 C ATOM 1621 C SER B 15 1.451 -2.074 12.087 1.00 0.00 C ATOM 1622 O SER B 15 1.225 -1.109 11.356 1.00 0.00 O ATOM 1623 CB SER B 15 1.664 -1.403 14.480 1.00 0.00 C ATOM 1624 OG SER B 15 3.034 -1.515 14.119 1.00 0.00 O ATOM 0 H SER B 15 -0.236 -3.991 13.625 1.00 0.00 H new ATOM 0 HA SER B 15 -0.188 -1.738 13.434 1.00 0.00 H new ATOM 0 HB2 SER B 15 1.366 -0.355 14.501 1.00 0.00 H new ATOM 0 HB3 SER B 15 1.507 -1.799 15.483 1.00 0.00 H new ATOM 0 HG SER B 15 3.401 -2.348 14.483 1.00 0.00 H new ATOM 1630 N GLN B 16 2.251 -3.080 11.734 1.00 0.00 N ATOM 1631 CA GLN B 16 2.927 -3.111 10.438 1.00 0.00 C ATOM 1632 C GLN B 16 2.381 -4.264 9.620 1.00 0.00 C ATOM 1633 O GLN B 16 3.099 -4.881 8.832 1.00 0.00 O ATOM 1634 CB GLN B 16 4.433 -3.299 10.637 1.00 0.00 C ATOM 1635 CG GLN B 16 5.019 -2.057 11.311 1.00 0.00 C ATOM 1636 CD GLN B 16 6.513 -2.249 11.551 1.00 0.00 C ATOM 1637 OE1 GLN B 16 7.089 -3.247 11.118 1.00 0.00 O ATOM 1638 NE2 GLN B 16 7.178 -1.348 12.220 1.00 0.00 N ATOM 0 H GLN B 16 2.447 -3.885 12.329 1.00 0.00 H new ATOM 0 HA GLN B 16 2.751 -2.170 9.918 1.00 0.00 H new ATOM 0 HB2 GLN B 16 4.622 -4.181 11.249 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.919 -3.468 9.676 1.00 0.00 H new ATOM 0 HG2 GLN B 16 4.853 -1.181 10.685 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.511 -1.873 12.258 1.00 0.00 H new ATOM 0 HE21 GLN B 16 6.699 -0.522 12.578 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.177 -1.470 12.385 1.00 0.00 H new ATOM 1647 N GLU B 17 1.107 -4.563 9.831 1.00 0.00 N ATOM 1648 CA GLU B 17 0.474 -5.661 9.127 1.00 0.00 C ATOM 1649 C GLU B 17 0.794 -5.594 7.638 1.00 0.00 C ATOM 1650 O GLU B 17 1.389 -6.518 7.081 1.00 0.00 O ATOM 1651 CB GLU B 17 -1.044 -5.612 9.336 1.00 0.00 C ATOM 1652 CG GLU B 17 -1.698 -6.826 8.670 1.00 0.00 C ATOM 1653 CD GLU B 17 -3.200 -6.820 8.940 1.00 0.00 C ATOM 1654 OE1 GLU B 17 -3.621 -6.088 9.821 1.00 0.00 O ATOM 1655 OE2 GLU B 17 -3.906 -7.549 8.263 1.00 0.00 O ATOM 0 H GLU B 17 0.498 -4.063 10.479 1.00 0.00 H new ATOM 0 HA GLU B 17 0.861 -6.599 9.526 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -1.274 -5.602 10.401 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.449 -4.692 8.914 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.513 -6.806 7.596 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.254 -7.745 9.053 1.00 0.00 H new ATOM 1662 N THR B 18 0.407 -4.494 6.996 1.00 0.00 N ATOM 1663 CA THR B 18 0.676 -4.324 5.571 1.00 0.00 C ATOM 1664 C THR B 18 2.118 -3.928 5.329 1.00 0.00 C ATOM 1665 O THR B 18 2.818 -4.573 4.543 1.00 0.00 O ATOM 1666 CB THR B 18 -0.255 -3.267 4.976 1.00 0.00 C ATOM 1667 OG1 THR B 18 -1.593 -3.551 5.357 1.00 0.00 O ATOM 1668 CG2 THR B 18 -0.137 -3.280 3.451 1.00 0.00 C ATOM 0 H THR B 18 -0.088 -3.716 7.433 1.00 0.00 H new ATOM 0 HA THR B 18 0.494 -5.281 5.082 1.00 0.00 H new ATOM 0 HB THR B 18 0.026 -2.282 5.348 1.00 0.00 H new ATOM 0 HG1 THR B 18 -1.803 -3.080 6.191 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.801 -2.526 3.028 1.00 0.00 H new ATOM 0 HG22 THR B 18 0.891 -3.060 3.164 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.417 -4.263 3.073 1.00 0.00 H new ATOM 1676 N PHE B 19 2.557 -2.860 5.999 1.00 0.00 N ATOM 1677 CA PHE B 19 3.924 -2.377 5.839 1.00 0.00 C ATOM 1678 C PHE B 19 4.878 -3.546 5.682 1.00 0.00 C ATOM 1679 O PHE B 19 5.655 -3.611 4.715 1.00 0.00 O ATOM 1680 CB PHE B 19 4.320 -1.532 7.054 1.00 0.00 C ATOM 1681 CG PHE B 19 3.583 -0.213 6.997 1.00 0.00 C ATOM 1682 CD1 PHE B 19 2.294 -0.109 7.530 1.00 0.00 C ATOM 1683 CD2 PHE B 19 4.183 0.901 6.394 1.00 0.00 C ATOM 1684 CE1 PHE B 19 1.606 1.108 7.466 1.00 0.00 C ATOM 1685 CE2 PHE B 19 3.494 2.119 6.328 1.00 0.00 C ATOM 1686 CZ PHE B 19 2.205 2.221 6.864 1.00 0.00 C ATOM 0 H PHE B 19 1.989 -2.319 6.651 1.00 0.00 H new ATOM 0 HA PHE B 19 3.980 -1.760 4.942 1.00 0.00 H new ATOM 0 HB2 PHE B 19 4.076 -2.060 7.976 1.00 0.00 H new ATOM 0 HB3 PHE B 19 5.397 -1.362 7.060 1.00 0.00 H new ATOM 0 HD1 PHE B 19 1.830 -0.968 7.991 1.00 0.00 H new ATOM 0 HD2 PHE B 19 5.177 0.820 5.980 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.612 1.189 7.881 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.957 2.978 5.864 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.672 3.159 6.813 1.00 0.00 H new ATOM 1696 N SER B 20 4.805 -4.464 6.653 1.00 0.00 N ATOM 1697 CA SER B 20 5.652 -5.651 6.667 1.00 0.00 C ATOM 1698 C SER B 20 5.963 -6.107 5.253 1.00 0.00 C ATOM 1699 O SER B 20 7.113 -6.114 4.829 1.00 0.00 O ATOM 1700 CB SER B 20 4.929 -6.780 7.406 1.00 0.00 C ATOM 1701 OG SER B 20 5.720 -7.960 7.351 1.00 0.00 O ATOM 0 H SER B 20 4.162 -4.402 7.442 1.00 0.00 H new ATOM 0 HA SER B 20 6.586 -5.404 7.172 1.00 0.00 H new ATOM 0 HB2 SER B 20 4.751 -6.496 8.443 1.00 0.00 H new ATOM 0 HB3 SER B 20 3.954 -6.961 6.953 1.00 0.00 H new ATOM 0 HG SER B 20 5.260 -8.684 7.825 1.00 0.00 H new ATOM 1707 N ASP B 21 4.924 -6.473 4.532 1.00 0.00 N ATOM 1708 CA ASP B 21 5.082 -6.934 3.169 1.00 0.00 C ATOM 1709 C ASP B 21 5.640 -5.856 2.238 1.00 0.00 C ATOM 1710 O ASP B 21 6.510 -6.130 1.418 1.00 0.00 O ATOM 1711 CB ASP B 21 3.726 -7.398 2.641 1.00 0.00 C ATOM 1712 CG ASP B 21 3.317 -8.697 3.326 1.00 0.00 C ATOM 1713 OD1 ASP B 21 4.135 -9.249 4.043 1.00 0.00 O ATOM 1714 OD2 ASP B 21 2.189 -9.116 3.127 1.00 0.00 O ATOM 0 H ASP B 21 3.961 -6.460 4.867 1.00 0.00 H new ATOM 0 HA ASP B 21 5.801 -7.753 3.183 1.00 0.00 H new ATOM 0 HB2 ASP B 21 2.974 -6.630 2.821 1.00 0.00 H new ATOM 0 HB3 ASP B 21 3.778 -7.547 1.562 1.00 0.00 H new ATOM 1719 N LEU B 22 5.109 -4.647 2.323 1.00 0.00 N ATOM 1720 CA LEU B 22 5.540 -3.586 1.420 1.00 0.00 C ATOM 1721 C LEU B 22 7.050 -3.576 1.176 1.00 0.00 C ATOM 1722 O LEU B 22 7.491 -3.827 0.053 1.00 0.00 O ATOM 1723 CB LEU B 22 5.118 -2.225 1.965 1.00 0.00 C ATOM 1724 CG LEU B 22 3.618 -2.225 2.280 1.00 0.00 C ATOM 1725 CD1 LEU B 22 3.178 -0.816 2.714 1.00 0.00 C ATOM 1726 CD2 LEU B 22 2.806 -2.657 1.044 1.00 0.00 C ATOM 0 H LEU B 22 4.391 -4.376 2.995 1.00 0.00 H new ATOM 0 HA LEU B 22 5.055 -3.786 0.465 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.686 -1.993 2.866 1.00 0.00 H new ATOM 0 HB3 LEU B 22 5.344 -1.447 1.236 1.00 0.00 H new ATOM 0 HG LEU B 22 3.434 -2.933 3.088 1.00 0.00 H new ATOM 0 HD11 LEU B 22 2.111 -0.821 2.937 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.733 -0.519 3.604 1.00 0.00 H new ATOM 0 HD13 LEU B 22 3.377 -0.109 1.909 1.00 0.00 H new ATOM 0 HD21 LEU B 22 1.743 -2.651 1.287 1.00 0.00 H new ATOM 0 HD22 LEU B 22 2.995 -1.964 0.224 1.00 0.00 H new ATOM 0 HD23 LEU B 22 3.104 -3.662 0.746 1.00 0.00 H new ATOM 1738 N TRP B 23 7.845 -3.227 2.193 1.00 0.00 N ATOM 1739 CA TRP B 23 9.309 -3.133 1.992 1.00 0.00 C ATOM 1740 C TRP B 23 10.076 -4.450 2.239 1.00 0.00 C ATOM 1741 O TRP B 23 11.229 -4.554 1.824 1.00 0.00 O ATOM 1742 CB TRP B 23 9.901 -1.983 2.854 1.00 0.00 C ATOM 1743 CG TRP B 23 10.431 -2.505 4.155 1.00 0.00 C ATOM 1744 CD1 TRP B 23 11.733 -2.744 4.441 1.00 0.00 C ATOM 1745 CD2 TRP B 23 9.683 -2.856 5.338 1.00 0.00 C ATOM 1746 NE1 TRP B 23 11.820 -3.234 5.734 1.00 0.00 N ATOM 1747 CE2 TRP B 23 10.577 -3.320 6.328 1.00 0.00 C ATOM 1748 CE3 TRP B 23 8.320 -2.817 5.634 1.00 0.00 C ATOM 1749 CZ2 TRP B 23 10.122 -3.737 7.579 1.00 0.00 C ATOM 1750 CZ3 TRP B 23 7.854 -3.233 6.881 1.00 0.00 C ATOM 1751 CH2 TRP B 23 8.752 -3.697 7.856 1.00 0.00 C ATOM 0 H TRP B 23 7.522 -3.010 3.136 1.00 0.00 H new ATOM 0 HA TRP B 23 9.447 -2.913 0.933 1.00 0.00 H new ATOM 0 HB2 TRP B 23 10.701 -1.486 2.304 1.00 0.00 H new ATOM 0 HB3 TRP B 23 9.132 -1.234 3.045 1.00 0.00 H new ATOM 0 HD1 TRP B 23 12.565 -2.580 3.772 1.00 0.00 H new ATOM 0 HE1 TRP B 23 12.693 -3.498 6.190 1.00 0.00 H new ATOM 0 HE3 TRP B 23 7.620 -2.462 4.892 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 10.820 -4.087 8.325 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 6.797 -3.198 7.098 1.00 0.00 H new ATOM 0 HH2 TRP B 23 8.385 -4.022 8.818 1.00 0.00 H new ATOM 1762 N LYS B 24 9.487 -5.444 2.920 1.00 0.00 N ATOM 1763 CA LYS B 24 10.235 -6.693 3.182 1.00 0.00 C ATOM 1764 C LYS B 24 10.041 -7.749 2.090 1.00 0.00 C ATOM 1765 O LYS B 24 10.816 -8.703 2.020 1.00 0.00 O ATOM 1766 CB LYS B 24 9.858 -7.303 4.537 1.00 0.00 C ATOM 1767 CG LYS B 24 10.160 -6.295 5.657 1.00 0.00 C ATOM 1768 CD LYS B 24 10.142 -6.990 7.035 1.00 0.00 C ATOM 1769 CE LYS B 24 8.700 -7.178 7.541 1.00 0.00 C ATOM 1770 NZ LYS B 24 8.610 -8.470 8.282 1.00 0.00 N ATOM 0 H LYS B 24 8.536 -5.418 3.288 1.00 0.00 H new ATOM 0 HA LYS B 24 11.285 -6.402 3.190 1.00 0.00 H new ATOM 0 HB2 LYS B 24 8.801 -7.567 4.547 1.00 0.00 H new ATOM 0 HB3 LYS B 24 10.418 -8.224 4.701 1.00 0.00 H new ATOM 0 HG2 LYS B 24 11.134 -5.837 5.488 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.423 -5.492 5.639 1.00 0.00 H new ATOM 0 HD2 LYS B 24 10.635 -7.959 6.963 1.00 0.00 H new ATOM 0 HD3 LYS B 24 10.708 -6.397 7.753 1.00 0.00 H new ATOM 0 HE2 LYS B 24 8.418 -6.350 8.192 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.003 -7.175 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 7.611 -8.730 8.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 9.097 -9.214 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 9.059 -8.367 9.214 1.00 0.00 H new ATOM 1784 N LEU B 25 9.031 -7.591 1.231 1.00 0.00 N ATOM 1785 CA LEU B 25 8.798 -8.564 0.153 1.00 0.00 C ATOM 1786 C LEU B 25 9.276 -7.997 -1.179 1.00 0.00 C ATOM 1787 O LEU B 25 8.768 -8.359 -2.238 1.00 0.00 O ATOM 1788 CB LEU B 25 7.308 -8.929 0.063 1.00 0.00 C ATOM 1789 CG LEU B 25 6.915 -9.937 1.166 1.00 0.00 C ATOM 1790 CD1 LEU B 25 5.388 -10.196 1.122 1.00 0.00 C ATOM 1791 CD2 LEU B 25 7.690 -11.268 0.988 1.00 0.00 C ATOM 0 H LEU B 25 8.370 -6.814 1.256 1.00 0.00 H new ATOM 0 HA LEU B 25 9.363 -9.468 0.379 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.703 -8.027 0.158 1.00 0.00 H new ATOM 0 HB3 LEU B 25 7.093 -9.355 -0.917 1.00 0.00 H new ATOM 0 HG LEU B 25 7.177 -9.515 2.136 1.00 0.00 H new ATOM 0 HD11 LEU B 25 5.117 -10.908 1.902 1.00 0.00 H new ATOM 0 HD12 LEU B 25 4.855 -9.259 1.284 1.00 0.00 H new ATOM 0 HD13 LEU B 25 5.116 -10.604 0.148 1.00 0.00 H new ATOM 0 HD21 LEU B 25 7.400 -11.966 1.774 1.00 0.00 H new ATOM 0 HD22 LEU B 25 7.454 -11.699 0.015 1.00 0.00 H new ATOM 0 HD23 LEU B 25 8.761 -11.076 1.050 1.00 0.00 H new ATOM 1803 N LEU B 26 10.265 -7.114 -1.118 1.00 0.00 N ATOM 1804 CA LEU B 26 10.816 -6.514 -2.319 1.00 0.00 C ATOM 1805 C LEU B 26 11.613 -7.586 -3.125 1.00 0.00 C ATOM 1806 O LEU B 26 12.593 -8.146 -2.639 1.00 0.00 O ATOM 1807 CB LEU B 26 11.580 -5.209 -1.924 1.00 0.00 C ATOM 1808 CG LEU B 26 13.076 -5.425 -1.533 1.00 0.00 C ATOM 1809 CD1 LEU B 26 13.988 -4.620 -2.467 1.00 0.00 C ATOM 1810 CD2 LEU B 26 13.348 -4.950 -0.086 1.00 0.00 C ATOM 0 H LEU B 26 10.699 -6.800 -0.250 1.00 0.00 H new ATOM 0 HA LEU B 26 10.047 -6.185 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU B 26 11.534 -4.510 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU B 26 11.063 -4.740 -1.086 1.00 0.00 H new ATOM 0 HG LEU B 26 13.282 -6.492 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU B 26 15.029 -4.778 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU B 26 13.837 -4.949 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.747 -3.560 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.398 -5.113 0.159 1.00 0.00 H new ATOM 0 HD22 LEU B 26 13.116 -3.888 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU B 26 12.722 -5.514 0.606 1.00 0.00 H new ATOM 1822 N PRO B 27 11.167 -7.954 -4.332 1.00 0.00 N ATOM 1823 CA PRO B 27 11.837 -9.016 -5.145 1.00 0.00 C ATOM 1824 C PRO B 27 13.351 -8.849 -5.172 1.00 0.00 C ATOM 1825 O PRO B 27 14.083 -9.831 -5.275 1.00 0.00 O ATOM 1826 CB PRO B 27 11.242 -8.850 -6.557 1.00 0.00 C ATOM 1827 CG PRO B 27 9.906 -8.218 -6.354 1.00 0.00 C ATOM 1828 CD PRO B 27 9.982 -7.426 -5.038 1.00 0.00 C ATOM 0 HA PRO B 27 11.666 -10.008 -4.727 1.00 0.00 H new ATOM 0 HB2 PRO B 27 11.881 -8.225 -7.181 1.00 0.00 H new ATOM 0 HB3 PRO B 27 11.149 -9.813 -7.059 1.00 0.00 H new ATOM 0 HG2 PRO B 27 9.660 -7.560 -7.187 1.00 0.00 H new ATOM 0 HG3 PRO B 27 9.124 -8.976 -6.304 1.00 0.00 H new ATOM 0 HD2 PRO B 27 10.081 -6.357 -5.228 1.00 0.00 H new ATOM 0 HD3 PRO B 27 9.078 -7.562 -4.445 1.00 0.00 H new