USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1146 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 114 LYS NZ :NH3+ -166:sc= 1.57 (180deg=1.31) USER MOD Set 1.2: B 118 TYR OH : rot -132:sc= 0.446 USER MOD Set 2.1: B 83 GLN : amide:sc= -1.15 X(o=-1.3,f=-1.2) USER MOD Set 2.2: B 98 ASN : amide:sc= -0.196 K(o=-1.3,f=-2.3!) USER MOD Set 2.3: B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 30 THR OG1 : rot -59:sc= 0.00776 USER MOD Set 3.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 17 GLN : amide:sc= -0.83 K(o=-0.27,f=-4.9!) USER MOD Set 4.2: A 32 ASN : amide:sc= 0.557 K(o=-0.27,f=-4.9) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0319 (180deg=-0.282) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.16 (180deg=1.02) USER MOD Single : A 4 ASN : amide:sc= -2.27! C(o=-2.3!,f=-12!) USER MOD Single : A 5 ASN : amide:sc= 0.764 K(o=0.76,f=-0.29) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -108:sc= 0.348 (180deg=-0.755) USER MOD Single : A 13 LYS NZ :NH3+ 139:sc= 0.0239 (180deg=-0.14) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.054 (180deg=-0.377) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.992 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.717 K(o=-0.72,f=-2.6) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc=-0.00784 X(o=-0.0078,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.821 K(o=-0.82,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.09 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.056 USER MOD Single : A 62 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.62) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 70 ASN : amide:sc= -1.49 K(o=-1.5,f=-13!) USER MOD Single : B 71 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 84 SER OG : rot 180:sc= -0.0991 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 96 THR OG1 : rot 180:sc= -0.138 USER MOD Single : B 103 ASN : amide:sc= -0.0696 X(o=-0.07,f=-0.039) USER MOD Single : B 104 LYS NZ :NH3+ -138:sc= -0.102 (180deg=-0.535) USER MOD Single : B 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.432 K(o=-0.43,f=-3.2!) USER MOD Single : B 108 SER OG : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -1 K(o=-1,f=-0.031) USER MOD Single : B 117 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.51) USER MOD Single : B 121 THR OG1 : rot -3:sc= 0.512 USER MOD Single : B 128 GLN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : B 130 GLN : amide:sc= -0.68 K(o=-0.68,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.172 -4.310 4.517 1.00 4.52 N ATOM 2 CA MET A 1 11.580 -5.171 5.554 1.00 15.43 C ATOM 3 C MET A 1 10.108 -4.851 5.723 1.00 54.41 C ATOM 4 O MET A 1 9.721 -3.683 5.838 1.00 33.23 O ATOM 5 CB MET A 1 12.298 -4.993 6.915 1.00 32.24 C ATOM 6 CG MET A 1 11.679 -5.822 8.052 1.00 0.23 C ATOM 7 SD MET A 1 12.427 -5.534 9.677 1.00 54.32 S ATOM 8 CE MET A 1 14.114 -6.061 9.379 1.00 74.51 C ATOM 0 H1 MET A 1 13.108 -4.678 4.253 1.00 4.52 H new ATOM 0 H2 MET A 1 11.555 -4.301 3.680 1.00 4.52 H new ATOM 0 H3 MET A 1 12.271 -3.342 4.884 1.00 4.52 H new ATOM 0 HA MET A 1 11.700 -6.205 5.230 1.00 15.43 H new ATOM 0 HB2 MET A 1 13.346 -5.272 6.802 1.00 32.24 H new ATOM 0 HB3 MET A 1 12.277 -3.939 7.192 1.00 32.24 H new ATOM 0 HG2 MET A 1 10.614 -5.598 8.111 1.00 0.23 H new ATOM 0 HG3 MET A 1 11.770 -6.880 7.806 1.00 0.23 H new ATOM 0 HE1 MET A 1 14.637 -6.163 10.330 1.00 74.51 H new ATOM 0 HE2 MET A 1 14.109 -7.021 8.863 1.00 74.51 H new ATOM 0 HE3 MET A 1 14.623 -5.320 8.763 1.00 74.51 H new ATOM 20 N ILE A 2 9.299 -5.873 5.745 1.00 22.43 N ATOM 21 CA ILE A 2 7.878 -5.727 5.931 1.00 32.41 C ATOM 22 C ILE A 2 7.469 -6.456 7.194 1.00 45.13 C ATOM 23 O ILE A 2 7.839 -7.603 7.400 1.00 32.11 O ATOM 24 CB ILE A 2 7.064 -6.264 4.702 1.00 73.54 C ATOM 25 CG1 ILE A 2 7.360 -5.423 3.449 1.00 72.41 C ATOM 26 CG2 ILE A 2 5.554 -6.306 4.979 1.00 51.03 C ATOM 27 CD1 ILE A 2 7.016 -3.954 3.594 1.00 54.01 C ATOM 0 H ILE A 2 9.607 -6.839 5.634 1.00 22.43 H new ATOM 0 HA ILE A 2 7.651 -4.665 6.021 1.00 32.41 H new ATOM 0 HB ILE A 2 7.388 -7.290 4.525 1.00 73.54 H new ATOM 0 HG12 ILE A 2 8.418 -5.515 3.205 1.00 72.41 H new ATOM 0 HG13 ILE A 2 6.802 -5.835 2.608 1.00 72.41 H new ATOM 0 HG21 ILE A 2 5.033 -6.684 4.099 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.358 -6.962 5.827 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.198 -5.301 5.207 1.00 51.03 H new ATOM 0 HD11 ILE A 2 7.254 -3.431 2.668 1.00 54.01 H new ATOM 0 HD12 ILE A 2 5.952 -3.849 3.807 1.00 54.01 H new ATOM 0 HD13 ILE A 2 7.594 -3.524 4.412 1.00 54.01 H new ATOM 39 N ILE A 3 6.730 -5.791 8.023 1.00 31.31 N ATOM 40 CA ILE A 3 6.251 -6.339 9.257 1.00 25.12 C ATOM 41 C ILE A 3 4.747 -6.469 9.108 1.00 13.31 C ATOM 42 O ILE A 3 4.062 -5.480 8.827 1.00 33.20 O ATOM 43 CB ILE A 3 6.628 -5.413 10.448 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.165 -5.320 10.559 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.010 -5.911 11.753 1.00 51.22 C ATOM 46 CD1 ILE A 3 8.668 -4.391 11.646 1.00 2.41 C ATOM 0 H ILE A 3 6.434 -4.829 7.859 1.00 31.31 H new ATOM 0 HA ILE A 3 6.702 -7.309 9.467 1.00 25.12 H new ATOM 0 HB ILE A 3 6.225 -4.417 10.263 1.00 23.21 H new ATOM 0 HG12 ILE A 3 8.563 -6.318 10.741 1.00 63.44 H new ATOM 0 HG13 ILE A 3 8.565 -4.986 9.601 1.00 63.44 H new ATOM 0 HG21 ILE A 3 6.292 -5.243 12.567 1.00 51.22 H new ATOM 0 HG22 ILE A 3 4.924 -5.929 11.658 1.00 51.22 H new ATOM 0 HG23 ILE A 3 6.372 -6.916 11.967 1.00 51.22 H new ATOM 0 HD11 ILE A 3 9.758 -4.390 11.648 1.00 2.41 H new ATOM 0 HD12 ILE A 3 8.305 -3.381 11.458 1.00 2.41 H new ATOM 0 HD13 ILE A 3 8.303 -4.733 12.615 1.00 2.41 H new ATOM 58 N ASN A 4 4.234 -7.666 9.244 1.00 20.22 N ATOM 59 CA ASN A 4 2.838 -7.944 8.966 1.00 24.23 C ATOM 60 C ASN A 4 2.039 -7.975 10.255 1.00 32.00 C ATOM 61 O ASN A 4 2.390 -8.694 11.197 1.00 60.31 O ATOM 62 CB ASN A 4 2.771 -9.327 8.280 1.00 41.35 C ATOM 63 CG ASN A 4 1.396 -9.772 7.801 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.367 -9.404 8.336 1.00 51.44 O ATOM 65 ND2 ASN A 4 1.392 -10.602 6.808 1.00 33.01 N ATOM 0 H ASN A 4 4.769 -8.479 9.550 1.00 20.22 H new ATOM 0 HA ASN A 4 2.417 -7.169 8.326 1.00 24.23 H new ATOM 0 HB2 ASN A 4 3.446 -9.318 7.424 1.00 41.35 H new ATOM 0 HB3 ASN A 4 3.150 -10.074 8.977 1.00 41.35 H new ATOM 0 HD21 ASN A 4 0.509 -10.967 6.452 1.00 33.01 H new ATOM 0 HD22 ASN A 4 2.272 -10.891 6.381 1.00 33.01 H new ATOM 72 N ASN A 5 0.977 -7.206 10.297 1.00 65.43 N ATOM 73 CA ASN A 5 0.076 -7.186 11.436 1.00 54.20 C ATOM 74 C ASN A 5 -1.340 -7.430 10.951 1.00 74.31 C ATOM 75 O ASN A 5 -2.286 -7.242 11.694 1.00 70.34 O ATOM 76 CB ASN A 5 0.096 -5.833 12.167 1.00 72.22 C ATOM 77 CG ASN A 5 1.410 -5.455 12.797 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.194 -6.301 13.228 1.00 62.01 O ATOM 79 ND2 ASN A 5 1.649 -4.180 12.885 1.00 62.53 N ATOM 0 H ASN A 5 0.709 -6.573 9.543 1.00 65.43 H new ATOM 0 HA ASN A 5 0.406 -7.961 12.127 1.00 54.20 H new ATOM 0 HB2 ASN A 5 -0.185 -5.053 11.459 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.668 -5.848 12.944 1.00 72.22 H new ATOM 0 HD21 ASN A 5 2.510 -3.851 13.323 1.00 62.53 H new ATOM 0 HD22 ASN A 5 0.976 -3.508 12.516 1.00 62.53 H new ATOM 86 N LEU A 6 -1.480 -7.894 9.707 1.00 31.42 N ATOM 87 CA LEU A 6 -2.793 -8.116 9.077 1.00 41.12 C ATOM 88 C LEU A 6 -3.613 -9.073 9.933 1.00 32.41 C ATOM 89 O LEU A 6 -4.792 -8.828 10.219 1.00 15.34 O ATOM 90 CB LEU A 6 -2.577 -8.663 7.622 1.00 22.14 C ATOM 91 CG LEU A 6 -3.799 -8.845 6.675 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.679 -10.031 7.054 1.00 11.20 C ATOM 93 CD2 LEU A 6 -4.619 -7.569 6.608 1.00 33.32 C ATOM 0 H LEU A 6 -0.690 -8.128 9.105 1.00 31.42 H new ATOM 0 HA LEU A 6 -3.349 -7.181 9.006 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.876 -7.993 7.124 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -2.085 -9.632 7.708 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.395 -9.063 5.686 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.513 -10.103 6.356 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -4.091 -10.948 7.013 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -5.063 -9.891 8.064 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -5.468 -7.717 5.941 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -4.980 -7.316 7.605 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -3.998 -6.757 6.230 1.00 33.32 H new ATOM 105 N LYS A 7 -2.974 -10.140 10.361 1.00 14.34 N ATOM 106 CA LYS A 7 -3.612 -11.109 11.219 1.00 42.10 C ATOM 107 C LYS A 7 -3.971 -10.496 12.581 1.00 53.11 C ATOM 108 O LYS A 7 -5.043 -10.742 13.093 1.00 74.22 O ATOM 109 CB LYS A 7 -2.745 -12.365 11.377 1.00 5.41 C ATOM 110 CG LYS A 7 -1.330 -12.096 11.876 1.00 35.52 C ATOM 111 CD LYS A 7 -0.558 -13.383 12.107 1.00 25.45 C ATOM 112 CE LYS A 7 -1.222 -14.247 13.165 1.00 12.21 C ATOM 113 NZ LYS A 7 -0.437 -15.451 13.462 1.00 61.12 N ATOM 0 H LYS A 7 -2.006 -10.358 10.125 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.544 -11.413 10.743 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -3.238 -13.047 12.070 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -2.687 -12.875 10.415 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -0.800 -11.480 11.150 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -1.374 -11.527 12.805 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -0.488 -13.940 11.172 1.00 25.45 H new ATOM 0 HD3 LYS A 7 0.461 -13.147 12.415 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -1.354 -13.666 14.078 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -2.216 -14.537 12.825 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -0.925 -16.013 14.189 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -0.332 -16.019 12.597 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 0.503 -15.175 13.811 1.00 61.12 H new ATOM 127 N LEU A 8 -3.079 -9.671 13.128 1.00 3.54 N ATOM 128 CA LEU A 8 -3.290 -9.006 14.417 1.00 24.22 C ATOM 129 C LEU A 8 -4.496 -8.057 14.342 1.00 33.32 C ATOM 130 O LEU A 8 -5.328 -8.041 15.241 1.00 35.35 O ATOM 131 CB LEU A 8 -1.979 -8.270 14.846 1.00 15.15 C ATOM 132 CG LEU A 8 -1.891 -7.646 16.272 1.00 23.14 C ATOM 133 CD1 LEU A 8 -2.737 -6.385 16.421 1.00 50.24 C ATOM 134 CD2 LEU A 8 -2.272 -8.675 17.333 1.00 34.11 C ATOM 0 H LEU A 8 -2.187 -9.443 12.690 1.00 3.54 H new ATOM 0 HA LEU A 8 -3.521 -9.748 15.181 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.157 -8.979 14.746 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -1.800 -7.471 14.126 1.00 15.15 H new ATOM 0 HG LEU A 8 -0.853 -7.347 16.419 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -2.635 -5.996 17.434 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -2.398 -5.633 15.708 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -3.783 -6.623 16.227 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -2.204 -8.221 18.321 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -3.293 -9.016 17.159 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -1.591 -9.525 17.277 1.00 34.11 H new ATOM 146 N ILE A 9 -4.590 -7.289 13.267 1.00 72.34 N ATOM 147 CA ILE A 9 -5.728 -6.387 13.049 1.00 55.53 C ATOM 148 C ILE A 9 -7.024 -7.188 12.951 1.00 3.21 C ATOM 149 O ILE A 9 -8.076 -6.774 13.465 1.00 40.20 O ATOM 150 CB ILE A 9 -5.528 -5.413 11.822 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.652 -4.200 12.198 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.858 -4.917 11.263 1.00 15.31 C ATOM 153 CD1 ILE A 9 -3.260 -4.507 12.692 1.00 1.24 C ATOM 0 H ILE A 9 -3.891 -7.267 12.524 1.00 72.34 H new ATOM 0 HA ILE A 9 -5.794 -5.732 13.918 1.00 55.53 H new ATOM 0 HB ILE A 9 -5.021 -5.995 11.052 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.570 -3.554 11.324 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -5.170 -3.630 12.969 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.673 -4.250 10.421 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.452 -5.768 10.929 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -7.401 -4.378 12.040 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.743 -3.576 12.924 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -3.320 -5.122 13.590 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.710 -5.045 11.920 1.00 1.24 H new ATOM 165 N ARG A 10 -6.930 -8.343 12.323 1.00 23.44 N ATOM 166 CA ARG A 10 -8.047 -9.254 12.247 1.00 2.23 C ATOM 167 C ARG A 10 -8.418 -9.773 13.611 1.00 61.23 C ATOM 168 O ARG A 10 -9.577 -9.989 13.871 1.00 0.10 O ATOM 169 CB ARG A 10 -7.774 -10.426 11.341 1.00 24.15 C ATOM 170 CG ARG A 10 -7.940 -10.153 9.877 1.00 71.12 C ATOM 171 CD ARG A 10 -7.658 -11.411 9.099 1.00 32.20 C ATOM 172 NE ARG A 10 -8.406 -12.571 9.636 1.00 64.13 N ATOM 173 CZ ARG A 10 -8.138 -13.833 9.325 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.374 -14.092 8.282 1.00 64.25 N ATOM 175 NH2 ARG A 10 -8.677 -14.827 10.028 1.00 51.23 N ATOM 0 H ARG A 10 -6.085 -8.671 11.856 1.00 23.44 H new ATOM 0 HA ARG A 10 -8.875 -8.680 11.830 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -6.755 -10.771 11.517 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.440 -11.243 11.620 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -8.953 -9.805 9.673 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -7.262 -9.359 9.565 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.925 -11.259 8.053 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.589 -11.623 9.127 1.00 32.20 H new ATOM 0 HE ARG A 10 -9.173 -12.389 10.283 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -6.996 -13.326 7.724 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.161 -15.058 8.033 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -9.299 -14.620 10.809 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -8.468 -15.795 9.785 1.00 51.23 H new ATOM 189 N GLU A 11 -7.423 -10.032 14.452 1.00 3.43 N ATOM 190 CA GLU A 11 -7.649 -10.472 15.812 1.00 32.25 C ATOM 191 C GLU A 11 -8.221 -9.359 16.690 1.00 23.22 C ATOM 192 O GLU A 11 -8.899 -9.629 17.679 1.00 24.24 O ATOM 193 CB GLU A 11 -6.420 -11.144 16.425 1.00 73.21 C ATOM 194 CG GLU A 11 -5.957 -12.346 15.612 1.00 31.54 C ATOM 195 CD GLU A 11 -5.127 -13.316 16.396 1.00 75.21 C ATOM 196 OE1 GLU A 11 -3.909 -13.123 16.548 1.00 73.43 O ATOM 197 OE2 GLU A 11 -5.696 -14.313 16.882 1.00 52.20 O ATOM 0 H GLU A 11 -6.438 -9.941 14.204 1.00 3.43 H new ATOM 0 HA GLU A 11 -8.415 -11.246 15.766 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -5.608 -10.420 16.494 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -6.651 -11.462 17.442 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -6.830 -12.865 15.216 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -5.380 -11.995 14.757 1.00 31.54 H new ATOM 204 N LYS A 12 -7.825 -8.125 16.401 1.00 12.34 N ATOM 205 CA LYS A 12 -8.429 -6.938 17.012 1.00 0.30 C ATOM 206 C LYS A 12 -9.956 -6.890 16.722 1.00 41.03 C ATOM 207 O LYS A 12 -10.745 -6.414 17.546 1.00 70.21 O ATOM 208 CB LYS A 12 -7.683 -5.678 16.521 1.00 31.15 C ATOM 209 CG LYS A 12 -8.281 -4.343 16.946 1.00 63.14 C ATOM 210 CD LYS A 12 -7.332 -3.179 16.645 1.00 63.03 C ATOM 211 CE LYS A 12 -6.889 -3.125 15.181 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.976 -1.988 14.944 1.00 22.43 N ATOM 0 H LYS A 12 -7.078 -7.915 15.739 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.327 -6.981 18.096 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -6.655 -5.725 16.881 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -7.641 -5.705 15.432 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -9.227 -4.186 16.427 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -8.503 -4.366 18.013 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -7.824 -2.241 16.904 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -6.451 -3.263 17.282 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -6.391 -4.057 14.914 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -7.763 -3.034 14.536 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -6.470 -1.255 14.396 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -5.671 -1.592 15.856 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -5.144 -2.316 14.413 1.00 22.43 H new ATOM 226 N LYS A 13 -10.343 -7.397 15.570 1.00 11.23 N ATOM 227 CA LYS A 13 -11.751 -7.634 15.220 1.00 71.54 C ATOM 228 C LYS A 13 -11.965 -9.131 15.445 1.00 62.41 C ATOM 229 O LYS A 13 -11.186 -9.729 16.177 1.00 22.21 O ATOM 230 CB LYS A 13 -11.994 -7.258 13.749 1.00 24.24 C ATOM 231 CG LYS A 13 -11.820 -5.771 13.460 1.00 24.13 C ATOM 232 CD LYS A 13 -12.887 -4.944 14.171 1.00 4.22 C ATOM 233 CE LYS A 13 -12.669 -3.442 14.004 1.00 44.25 C ATOM 234 NZ LYS A 13 -12.573 -3.033 12.586 1.00 54.41 N ATOM 0 H LYS A 13 -9.690 -7.663 14.833 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.440 -7.036 15.816 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.307 -7.824 13.120 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.004 -7.558 13.468 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -10.830 -5.448 13.783 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -11.877 -5.597 12.385 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -13.869 -5.211 13.781 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -12.887 -5.192 15.232 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -13.491 -2.905 14.478 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.756 -3.152 14.524 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -13.093 -2.143 12.445 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -11.574 -2.895 12.331 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -12.985 -3.773 11.983 1.00 54.41 H new ATOM 248 N LYS A 14 -12.991 -9.762 14.945 1.00 71.43 N ATOM 249 CA LYS A 14 -13.005 -11.209 15.010 1.00 32.42 C ATOM 250 C LYS A 14 -13.564 -11.777 13.724 1.00 13.24 C ATOM 251 O LYS A 14 -14.698 -12.272 13.652 1.00 5.54 O ATOM 252 CB LYS A 14 -13.703 -11.739 16.287 1.00 73.24 C ATOM 253 CG LYS A 14 -15.030 -11.071 16.604 1.00 40.21 C ATOM 254 CD LYS A 14 -15.571 -11.519 17.947 1.00 43.22 C ATOM 255 CE LYS A 14 -16.824 -10.745 18.317 1.00 70.42 C ATOM 256 NZ LYS A 14 -16.568 -9.292 18.455 1.00 23.43 N ATOM 0 H LYS A 14 -13.801 -9.326 14.504 1.00 71.43 H new ATOM 0 HA LYS A 14 -11.979 -11.565 15.099 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -13.867 -12.811 16.177 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -13.031 -11.605 17.135 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -14.902 -9.988 16.605 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -15.753 -11.306 15.823 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -15.795 -12.585 17.915 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -14.811 -11.375 18.715 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -17.586 -10.906 17.555 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -17.224 -11.132 19.254 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -17.343 -8.852 18.991 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -15.671 -9.144 18.959 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -16.510 -8.859 17.511 1.00 23.43 H new ATOM 270 N ILE A 15 -12.782 -11.619 12.689 1.00 13.13 N ATOM 271 CA ILE A 15 -13.158 -12.034 11.369 1.00 43.54 C ATOM 272 C ILE A 15 -12.185 -13.097 10.901 1.00 51.30 C ATOM 273 O ILE A 15 -10.952 -12.926 11.027 1.00 65.41 O ATOM 274 CB ILE A 15 -13.130 -10.840 10.360 1.00 70.43 C ATOM 275 CG1 ILE A 15 -13.951 -9.657 10.897 1.00 24.32 C ATOM 276 CG2 ILE A 15 -13.681 -11.282 9.007 1.00 62.43 C ATOM 277 CD1 ILE A 15 -13.943 -8.428 10.007 1.00 1.24 C ATOM 0 H ILE A 15 -11.856 -11.194 12.742 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.176 -12.422 11.406 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.096 -10.519 10.237 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -14.982 -9.981 11.038 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -13.567 -9.381 11.879 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -13.657 -10.442 8.312 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -13.071 -12.096 8.614 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -14.709 -11.624 9.127 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -14.547 -7.644 10.464 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -12.920 -8.073 9.886 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -14.357 -8.683 9.031 1.00 1.24 H new ATOM 289 N SER A 16 -12.707 -14.165 10.372 1.00 2.42 N ATOM 290 CA SER A 16 -11.907 -15.224 9.877 1.00 41.31 C ATOM 291 C SER A 16 -11.654 -15.011 8.385 1.00 13.21 C ATOM 292 O SER A 16 -12.259 -14.114 7.765 1.00 35.13 O ATOM 293 CB SER A 16 -12.574 -16.558 10.187 1.00 43.33 C ATOM 294 OG SER A 16 -12.711 -16.708 11.601 1.00 71.34 O ATOM 0 H SER A 16 -13.711 -14.318 10.276 1.00 2.42 H new ATOM 0 HA SER A 16 -10.934 -15.237 10.369 1.00 41.31 H new ATOM 0 HB2 SER A 16 -13.553 -16.606 9.709 1.00 43.33 H new ATOM 0 HB3 SER A 16 -11.980 -17.376 9.780 1.00 43.33 H new ATOM 0 HG SER A 16 -13.142 -17.566 11.799 1.00 71.34 H new ATOM 300 N GLN A 17 -10.770 -15.806 7.812 1.00 45.12 N ATOM 301 CA GLN A 17 -10.358 -15.597 6.444 1.00 65.34 C ATOM 302 C GLN A 17 -11.479 -15.795 5.438 1.00 13.44 C ATOM 303 O GLN A 17 -11.489 -15.143 4.414 1.00 12.11 O ATOM 304 CB GLN A 17 -9.092 -16.373 6.067 1.00 30.22 C ATOM 305 CG GLN A 17 -9.155 -17.866 6.255 1.00 4.43 C ATOM 306 CD GLN A 17 -7.901 -18.543 5.763 1.00 53.31 C ATOM 307 OE1 GLN A 17 -7.816 -18.947 4.612 1.00 72.33 O ATOM 308 NE2 GLN A 17 -6.914 -18.638 6.604 1.00 45.23 N ATOM 0 H GLN A 17 -10.326 -16.600 8.274 1.00 45.12 H new ATOM 0 HA GLN A 17 -10.092 -14.541 6.391 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -8.861 -16.167 5.022 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -8.262 -15.986 6.659 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -9.301 -18.094 7.311 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -10.017 -18.264 5.720 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -7.021 -18.290 7.557 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -6.033 -19.060 6.311 1.00 45.23 H new ATOM 317 N SER A 18 -12.432 -16.663 5.743 1.00 55.44 N ATOM 318 CA SER A 18 -13.527 -16.952 4.839 1.00 52.11 C ATOM 319 C SER A 18 -14.425 -15.722 4.624 1.00 62.21 C ATOM 320 O SER A 18 -14.753 -15.388 3.479 1.00 10.02 O ATOM 321 CB SER A 18 -14.340 -18.104 5.396 1.00 45.03 C ATOM 322 OG SER A 18 -13.493 -19.185 5.770 1.00 21.34 O ATOM 0 H SER A 18 -12.465 -17.183 6.620 1.00 55.44 H new ATOM 0 HA SER A 18 -13.112 -17.225 3.869 1.00 52.11 H new ATOM 0 HB2 SER A 18 -14.911 -17.767 6.261 1.00 45.03 H new ATOM 0 HB3 SER A 18 -15.060 -18.441 4.650 1.00 45.03 H new ATOM 0 HG SER A 18 -14.036 -19.917 6.129 1.00 21.34 H new ATOM 328 N GLU A 19 -14.798 -15.039 5.726 1.00 50.43 N ATOM 329 CA GLU A 19 -15.646 -13.848 5.641 1.00 3.23 C ATOM 330 C GLU A 19 -14.969 -12.798 4.798 1.00 41.23 C ATOM 331 O GLU A 19 -15.601 -12.165 3.943 1.00 11.14 O ATOM 332 CB GLU A 19 -15.984 -13.229 7.019 1.00 33.34 C ATOM 333 CG GLU A 19 -16.666 -14.145 8.024 1.00 42.23 C ATOM 334 CD GLU A 19 -15.712 -15.051 8.752 1.00 44.10 C ATOM 335 OE1 GLU A 19 -15.322 -16.103 8.202 1.00 70.32 O ATOM 336 OE2 GLU A 19 -15.343 -14.726 9.910 1.00 64.25 O ATOM 0 H GLU A 19 -14.524 -15.295 6.675 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.583 -14.176 5.191 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -15.059 -12.862 7.464 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.625 -12.363 6.856 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -17.204 -13.537 8.751 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.408 -14.752 7.505 1.00 42.23 H new ATOM 343 N LEU A 20 -13.677 -12.628 5.024 1.00 73.22 N ATOM 344 CA LEU A 20 -12.909 -11.668 4.270 1.00 10.22 C ATOM 345 C LEU A 20 -12.769 -12.082 2.829 1.00 65.33 C ATOM 346 O LEU A 20 -12.987 -11.281 1.956 1.00 30.50 O ATOM 347 CB LEU A 20 -11.539 -11.417 4.893 1.00 32.54 C ATOM 348 CG LEU A 20 -11.540 -10.681 6.229 1.00 41.02 C ATOM 349 CD1 LEU A 20 -10.131 -10.544 6.746 1.00 52.52 C ATOM 350 CD2 LEU A 20 -12.185 -9.306 6.084 1.00 23.21 C ATOM 0 H LEU A 20 -13.144 -13.144 5.724 1.00 73.22 H new ATOM 0 HA LEU A 20 -13.463 -10.730 4.301 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -11.042 -12.377 5.030 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.939 -10.845 4.185 1.00 32.54 H new ATOM 0 HG LEU A 20 -12.124 -11.261 6.944 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -10.143 -10.017 7.700 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.696 -11.534 6.884 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -9.533 -9.982 6.029 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -12.176 -8.797 7.048 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -11.626 -8.717 5.357 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -13.214 -9.421 5.744 1.00 23.21 H new ATOM 362 N ALA A 21 -12.488 -13.353 2.586 1.00 4.44 N ATOM 363 CA ALA A 21 -12.293 -13.861 1.231 1.00 14.42 C ATOM 364 C ALA A 21 -13.523 -13.612 0.383 1.00 35.03 C ATOM 365 O ALA A 21 -13.423 -13.075 -0.719 1.00 72.55 O ATOM 366 CB ALA A 21 -11.956 -15.343 1.253 1.00 1.41 C ATOM 0 H ALA A 21 -12.389 -14.060 3.315 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.454 -13.325 0.788 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -11.815 -15.699 0.233 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -11.039 -15.499 1.822 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -12.772 -15.895 1.721 1.00 1.41 H new ATOM 372 N ALA A 22 -14.680 -13.962 0.917 1.00 4.14 N ATOM 373 CA ALA A 22 -15.947 -13.766 0.233 1.00 53.23 C ATOM 374 C ALA A 22 -16.223 -12.285 -0.010 1.00 34.22 C ATOM 375 O ALA A 22 -16.692 -11.894 -1.077 1.00 30.41 O ATOM 376 CB ALA A 22 -17.067 -14.380 1.049 1.00 24.13 C ATOM 0 H ALA A 22 -14.768 -14.391 1.838 1.00 4.14 H new ATOM 0 HA ALA A 22 -15.892 -14.258 -0.738 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -18.016 -14.232 0.534 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -16.884 -15.447 1.173 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -17.107 -13.903 2.028 1.00 24.13 H new ATOM 382 N LEU A 23 -15.937 -11.476 0.982 1.00 71.12 N ATOM 383 CA LEU A 23 -16.154 -10.036 0.906 1.00 42.20 C ATOM 384 C LEU A 23 -15.216 -9.376 -0.113 1.00 63.22 C ATOM 385 O LEU A 23 -15.614 -8.471 -0.847 1.00 30.24 O ATOM 386 CB LEU A 23 -15.954 -9.428 2.293 1.00 60.54 C ATOM 387 CG LEU A 23 -16.157 -7.926 2.440 1.00 63.34 C ATOM 388 CD1 LEU A 23 -17.578 -7.524 2.062 1.00 60.14 C ATOM 389 CD2 LEU A 23 -15.849 -7.523 3.865 1.00 50.33 C ATOM 0 H LEU A 23 -15.546 -11.790 1.870 1.00 71.12 H new ATOM 0 HA LEU A 23 -17.174 -9.854 0.567 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -16.636 -9.928 2.981 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -14.941 -9.664 2.620 1.00 60.54 H new ATOM 0 HG LEU A 23 -15.480 -7.407 1.761 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -17.694 -6.446 2.177 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.771 -7.802 1.026 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -18.286 -8.036 2.713 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -15.992 -6.448 3.978 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -16.517 -8.052 4.545 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -14.816 -7.778 4.100 1.00 50.33 H new ATOM 401 N LEU A 24 -13.995 -9.855 -0.165 1.00 61.11 N ATOM 402 CA LEU A 24 -12.975 -9.305 -1.047 1.00 33.50 C ATOM 403 C LEU A 24 -13.029 -9.947 -2.423 1.00 13.04 C ATOM 404 O LEU A 24 -12.206 -9.625 -3.302 1.00 54.12 O ATOM 405 CB LEU A 24 -11.601 -9.538 -0.440 1.00 1.13 C ATOM 406 CG LEU A 24 -11.410 -9.045 0.984 1.00 1.25 C ATOM 407 CD1 LEU A 24 -10.036 -9.391 1.479 1.00 24.05 C ATOM 408 CD2 LEU A 24 -11.673 -7.565 1.090 1.00 43.42 C ATOM 0 H LEU A 24 -13.674 -10.639 0.402 1.00 61.11 H new ATOM 0 HA LEU A 24 -13.163 -8.237 -1.158 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -11.391 -10.607 -0.464 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.859 -9.053 -1.074 1.00 1.13 H new ATOM 0 HG LEU A 24 -12.138 -9.550 1.619 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -9.916 -9.031 2.501 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -9.903 -10.473 1.458 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -9.290 -8.921 0.838 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -11.528 -7.243 2.121 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -10.983 -7.025 0.441 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -12.698 -7.355 0.785 1.00 43.42 H new ATOM 420 N GLU A 25 -13.975 -10.879 -2.594 1.00 45.33 N ATOM 421 CA GLU A 25 -14.210 -11.583 -3.856 1.00 22.43 C ATOM 422 C GLU A 25 -12.979 -12.412 -4.249 1.00 63.31 C ATOM 423 O GLU A 25 -12.711 -12.636 -5.440 1.00 72.53 O ATOM 424 CB GLU A 25 -14.560 -10.577 -4.963 1.00 34.10 C ATOM 425 CG GLU A 25 -15.762 -9.704 -4.651 1.00 74.02 C ATOM 426 CD GLU A 25 -15.990 -8.660 -5.701 1.00 63.23 C ATOM 427 OE1 GLU A 25 -15.329 -7.600 -5.659 1.00 54.24 O ATOM 428 OE2 GLU A 25 -16.817 -8.875 -6.609 1.00 73.13 O ATOM 0 H GLU A 25 -14.607 -11.168 -1.847 1.00 45.33 H new ATOM 0 HA GLU A 25 -15.050 -12.265 -3.725 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -13.697 -9.937 -5.143 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -14.751 -11.122 -5.887 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -16.650 -10.329 -4.564 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -15.617 -9.220 -3.685 1.00 74.02 H new ATOM 435 N VAL A 26 -12.267 -12.911 -3.257 1.00 33.53 N ATOM 436 CA VAL A 26 -11.049 -13.670 -3.478 1.00 2.41 C ATOM 437 C VAL A 26 -11.154 -15.032 -2.815 1.00 32.32 C ATOM 438 O VAL A 26 -12.116 -15.313 -2.104 1.00 23.34 O ATOM 439 CB VAL A 26 -9.771 -12.936 -2.947 1.00 63.23 C ATOM 440 CG1 VAL A 26 -9.529 -11.632 -3.688 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.849 -12.694 -1.441 1.00 4.10 C ATOM 0 H VAL A 26 -12.516 -12.802 -2.274 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.942 -13.780 -4.557 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.923 -13.593 -3.138 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.635 -11.150 -3.293 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -9.392 -11.837 -4.750 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -10.386 -10.972 -3.553 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.946 -12.183 -1.107 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.719 -12.077 -1.216 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.938 -13.649 -0.923 1.00 4.10 H new ATOM 451 N SER A 27 -10.189 -15.855 -3.054 1.00 35.42 N ATOM 452 CA SER A 27 -10.135 -17.153 -2.468 1.00 0.14 C ATOM 453 C SER A 27 -9.370 -17.101 -1.145 1.00 54.44 C ATOM 454 O SER A 27 -8.489 -16.235 -0.949 1.00 24.14 O ATOM 455 CB SER A 27 -9.473 -18.123 -3.448 1.00 23.34 C ATOM 456 OG SER A 27 -10.214 -18.181 -4.664 1.00 1.11 O ATOM 0 H SER A 27 -9.404 -15.643 -3.670 1.00 35.42 H new ATOM 0 HA SER A 27 -11.145 -17.504 -2.257 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.451 -17.803 -3.652 1.00 23.34 H new ATOM 0 HB3 SER A 27 -9.414 -19.116 -3.003 1.00 23.34 H new ATOM 0 HG SER A 27 -9.779 -18.804 -5.283 1.00 1.11 H new ATOM 462 N ARG A 28 -9.702 -18.014 -0.254 1.00 33.45 N ATOM 463 CA ARG A 28 -9.068 -18.136 1.054 1.00 2.32 C ATOM 464 C ARG A 28 -7.561 -18.315 0.968 1.00 72.10 C ATOM 465 O ARG A 28 -6.834 -17.835 1.827 1.00 61.25 O ATOM 466 CB ARG A 28 -9.707 -19.251 1.861 1.00 73.14 C ATOM 467 CG ARG A 28 -11.016 -18.854 2.506 1.00 54.32 C ATOM 468 CD ARG A 28 -11.685 -20.037 3.158 1.00 53.33 C ATOM 469 NE ARG A 28 -12.332 -20.912 2.175 1.00 21.14 N ATOM 470 CZ ARG A 28 -12.494 -22.230 2.305 1.00 13.43 C ATOM 471 NH1 ARG A 28 -11.734 -22.934 3.154 1.00 20.31 N ATOM 472 NH2 ARG A 28 -13.354 -22.851 1.516 1.00 44.34 N ATOM 0 H ARG A 28 -10.433 -18.707 -0.417 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.235 -17.191 1.572 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -9.877 -20.109 1.210 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -9.012 -19.572 2.636 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -10.837 -18.079 3.251 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -11.680 -18.427 1.754 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -10.946 -20.607 3.720 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -12.427 -19.685 3.874 1.00 53.33 H new ATOM 0 HE ARG A 28 -12.687 -20.478 1.323 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -11.021 -22.463 3.711 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -11.868 -23.941 3.244 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -13.882 -22.323 0.821 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -13.490 -23.858 1.602 1.00 44.34 H new ATOM 486 N GLN A 29 -7.097 -18.955 -0.089 1.00 63.51 N ATOM 487 CA GLN A 29 -5.674 -19.156 -0.321 1.00 73.10 C ATOM 488 C GLN A 29 -4.959 -17.800 -0.402 1.00 21.43 C ATOM 489 O GLN A 29 -3.847 -17.639 0.106 1.00 63.01 O ATOM 490 CB GLN A 29 -5.489 -19.999 -1.617 1.00 14.11 C ATOM 491 CG GLN A 29 -4.053 -20.412 -1.983 1.00 34.33 C ATOM 492 CD GLN A 29 -3.190 -19.286 -2.539 1.00 13.43 C ATOM 493 OE1 GLN A 29 -3.690 -18.348 -3.178 1.00 35.21 O ATOM 494 NE2 GLN A 29 -1.909 -19.361 -2.290 1.00 24.53 N ATOM 0 H GLN A 29 -7.695 -19.352 -0.814 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.225 -19.704 0.508 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -6.088 -20.905 -1.520 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -5.901 -19.432 -2.452 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -3.569 -20.818 -1.095 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -4.097 -21.215 -2.718 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -1.538 -20.150 -1.760 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -1.281 -18.631 -2.625 1.00 24.53 H new ATOM 503 N THR A 30 -5.618 -16.827 -0.983 1.00 21.22 N ATOM 504 CA THR A 30 -5.053 -15.521 -1.135 1.00 0.23 C ATOM 505 C THR A 30 -4.977 -14.773 0.217 1.00 24.14 C ATOM 506 O THR A 30 -3.909 -14.296 0.592 1.00 5.35 O ATOM 507 CB THR A 30 -5.824 -14.731 -2.209 1.00 71.41 C ATOM 508 OG1 THR A 30 -5.720 -15.459 -3.461 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.265 -13.323 -2.388 1.00 50.43 C ATOM 0 H THR A 30 -6.560 -16.925 -1.361 1.00 21.22 H new ATOM 0 HA THR A 30 -4.024 -15.623 -1.479 1.00 0.23 H new ATOM 0 HB THR A 30 -6.863 -14.630 -1.896 1.00 71.41 H new ATOM 0 HG1 THR A 30 -4.776 -15.551 -3.708 1.00 40.00 H new ATOM 0 HG21 THR A 30 -5.837 -12.799 -3.154 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.338 -12.780 -1.446 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.220 -13.382 -2.692 1.00 50.43 H new ATOM 517 N ILE A 31 -6.087 -14.717 0.959 1.00 3.24 N ATOM 518 CA ILE A 31 -6.101 -14.044 2.272 1.00 15.23 C ATOM 519 C ILE A 31 -5.161 -14.749 3.275 1.00 54.43 C ATOM 520 O ILE A 31 -4.403 -14.092 4.000 1.00 12.25 O ATOM 521 CB ILE A 31 -7.563 -13.871 2.845 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.580 -13.320 4.287 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.370 -15.147 2.750 1.00 12.10 C ATOM 524 CD1 ILE A 31 -7.014 -11.927 4.434 1.00 15.23 C ATOM 0 H ILE A 31 -6.981 -15.123 0.682 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.715 -13.036 2.119 1.00 15.23 H new ATOM 0 HB ILE A 31 -8.040 -13.125 2.209 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.608 -13.321 4.650 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -7.015 -13.997 4.928 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.367 -14.978 3.156 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.450 -15.450 1.706 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -7.875 -15.934 3.319 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -7.066 -11.621 5.479 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -5.975 -11.920 4.105 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.592 -11.233 3.824 1.00 15.23 H new ATOM 536 N ASN A 32 -5.174 -16.074 3.256 1.00 30.33 N ATOM 537 CA ASN A 32 -4.284 -16.890 4.094 1.00 60.42 C ATOM 538 C ASN A 32 -2.827 -16.625 3.709 1.00 3.24 C ATOM 539 O ASN A 32 -1.922 -16.611 4.555 1.00 13.11 O ATOM 540 CB ASN A 32 -4.626 -18.379 3.944 1.00 64.50 C ATOM 541 CG ASN A 32 -3.799 -19.290 4.831 1.00 24.43 C ATOM 542 OD1 ASN A 32 -4.152 -19.538 5.988 1.00 33.15 O ATOM 543 ND2 ASN A 32 -2.752 -19.855 4.291 1.00 74.02 N ATOM 0 H ASN A 32 -5.798 -16.621 2.663 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.425 -16.615 5.139 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -5.682 -18.525 4.173 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.483 -18.672 2.904 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -2.199 -20.523 4.828 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -2.487 -19.628 3.332 1.00 74.02 H new ATOM 550 N GLY A 33 -2.609 -16.430 2.417 1.00 32.15 N ATOM 551 CA GLY A 33 -1.301 -16.110 1.908 1.00 62.40 C ATOM 552 C GLY A 33 -0.820 -14.750 2.385 1.00 51.22 C ATOM 553 O GLY A 33 0.395 -14.537 2.569 1.00 73.51 O ATOM 0 H GLY A 33 -3.335 -16.491 1.703 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.592 -16.876 2.223 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.323 -16.125 0.818 1.00 62.40 H new ATOM 557 N ILE A 34 -1.753 -13.819 2.549 1.00 55.13 N ATOM 558 CA ILE A 34 -1.448 -12.489 3.047 1.00 14.23 C ATOM 559 C ILE A 34 -1.102 -12.545 4.538 1.00 12.31 C ATOM 560 O ILE A 34 -0.200 -11.849 4.983 1.00 62.21 O ATOM 561 CB ILE A 34 -2.625 -11.482 2.812 1.00 13.40 C ATOM 562 CG1 ILE A 34 -2.991 -11.388 1.315 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.293 -10.091 3.364 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.858 -10.947 0.407 1.00 51.13 C ATOM 0 H ILE A 34 -2.740 -13.968 2.340 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.587 -12.127 2.485 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.488 -11.867 3.355 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.347 -12.363 0.981 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.821 -10.690 1.202 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.131 -9.418 3.184 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.107 -10.160 4.436 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.404 -9.704 2.866 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -2.211 -10.911 -0.624 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.515 -9.957 0.708 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -1.033 -11.656 0.484 1.00 51.13 H new ATOM 576 N GLU A 35 -1.797 -13.402 5.292 1.00 42.35 N ATOM 577 CA GLU A 35 -1.534 -13.571 6.739 1.00 14.13 C ATOM 578 C GLU A 35 -0.087 -13.975 7.022 1.00 62.12 C ATOM 579 O GLU A 35 0.504 -13.553 8.023 1.00 33.44 O ATOM 580 CB GLU A 35 -2.440 -14.644 7.340 1.00 72.22 C ATOM 581 CG GLU A 35 -3.915 -14.328 7.339 1.00 22.14 C ATOM 582 CD GLU A 35 -4.714 -15.410 8.028 1.00 2.35 C ATOM 583 OE1 GLU A 35 -4.435 -15.707 9.201 1.00 12.42 O ATOM 584 OE2 GLU A 35 -5.679 -15.931 7.450 1.00 14.03 O ATOM 0 H GLU A 35 -2.547 -13.993 4.932 1.00 42.35 H new ATOM 0 HA GLU A 35 -1.734 -12.600 7.193 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.286 -15.573 6.792 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.126 -14.825 8.368 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.084 -13.375 7.840 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.263 -14.215 6.312 1.00 22.14 H new ATOM 591 N LYS A 36 0.485 -14.772 6.156 1.00 72.42 N ATOM 592 CA LYS A 36 1.870 -15.186 6.340 1.00 3.42 C ATOM 593 C LYS A 36 2.793 -14.351 5.469 1.00 64.33 C ATOM 594 O LYS A 36 4.000 -14.573 5.446 1.00 74.05 O ATOM 595 CB LYS A 36 2.057 -16.681 6.023 1.00 71.34 C ATOM 596 CG LYS A 36 1.134 -17.621 6.805 1.00 73.40 C ATOM 597 CD LYS A 36 1.212 -17.390 8.310 1.00 3.32 C ATOM 598 CE LYS A 36 2.600 -17.637 8.878 1.00 11.20 C ATOM 599 NZ LYS A 36 2.655 -17.274 10.306 1.00 30.21 N ATOM 0 H LYS A 36 0.029 -15.148 5.325 1.00 72.42 H new ATOM 0 HA LYS A 36 2.126 -15.027 7.388 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.892 -16.836 4.957 1.00 71.34 H new ATOM 0 HB3 LYS A 36 3.092 -16.956 6.229 1.00 71.34 H new ATOM 0 HG2 LYS A 36 0.106 -17.478 6.471 1.00 73.40 H new ATOM 0 HG3 LYS A 36 1.400 -18.655 6.584 1.00 73.40 H new ATOM 0 HD2 LYS A 36 0.912 -16.366 8.531 1.00 3.32 H new ATOM 0 HD3 LYS A 36 0.499 -18.045 8.810 1.00 3.32 H new ATOM 0 HE2 LYS A 36 2.866 -18.687 8.755 1.00 11.20 H new ATOM 0 HE3 LYS A 36 3.334 -17.054 8.322 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 3.612 -17.451 10.673 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 2.422 -16.266 10.417 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 1.969 -17.848 10.837 1.00 30.21 H new ATOM 613 N ASN A 37 2.192 -13.362 4.784 1.00 21.34 N ATOM 614 CA ASN A 37 2.848 -12.479 3.782 1.00 41.10 C ATOM 615 C ASN A 37 3.738 -13.274 2.827 1.00 30.41 C ATOM 616 O ASN A 37 4.721 -12.776 2.289 1.00 2.25 O ATOM 617 CB ASN A 37 3.585 -11.245 4.419 1.00 42.23 C ATOM 618 CG ASN A 37 4.873 -11.535 5.192 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.852 -11.803 6.402 1.00 64.43 O ATOM 620 ND2 ASN A 37 5.985 -11.397 4.531 1.00 15.22 N ATOM 0 H ASN A 37 1.204 -13.142 4.911 1.00 21.34 H new ATOM 0 HA ASN A 37 2.045 -12.047 3.185 1.00 41.10 H new ATOM 0 HB2 ASN A 37 3.819 -10.540 3.621 1.00 42.23 H new ATOM 0 HB3 ASN A 37 2.890 -10.745 5.093 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.879 -11.510 5.008 1.00 15.22 H new ATOM 0 HD22 ASN A 37 5.962 -11.176 3.535 1.00 15.22 H new ATOM 627 N LYS A 38 3.269 -14.462 2.494 1.00 23.05 N ATOM 628 CA LYS A 38 4.029 -15.409 1.707 1.00 71.21 C ATOM 629 C LYS A 38 3.544 -15.312 0.275 1.00 63.12 C ATOM 630 O LYS A 38 4.244 -15.661 -0.683 1.00 54.40 O ATOM 631 CB LYS A 38 3.826 -16.818 2.295 1.00 54.41 C ATOM 632 CG LYS A 38 4.580 -17.949 1.599 1.00 51.33 C ATOM 633 CD LYS A 38 4.422 -19.262 2.368 1.00 14.11 C ATOM 634 CE LYS A 38 2.959 -19.664 2.508 1.00 53.22 C ATOM 635 NZ LYS A 38 2.776 -20.839 3.375 1.00 30.43 N ATOM 0 H LYS A 38 2.344 -14.797 2.765 1.00 23.05 H new ATOM 0 HA LYS A 38 5.097 -15.194 1.728 1.00 71.21 H new ATOM 0 HB2 LYS A 38 4.125 -16.799 3.343 1.00 54.41 H new ATOM 0 HB3 LYS A 38 2.761 -17.050 2.272 1.00 54.41 H new ATOM 0 HG2 LYS A 38 4.205 -18.070 0.583 1.00 51.33 H new ATOM 0 HG3 LYS A 38 5.637 -17.693 1.521 1.00 51.33 H new ATOM 0 HD2 LYS A 38 4.968 -20.052 1.853 1.00 14.11 H new ATOM 0 HD3 LYS A 38 4.867 -19.159 3.358 1.00 14.11 H new ATOM 0 HE2 LYS A 38 2.393 -18.826 2.914 1.00 53.22 H new ATOM 0 HE3 LYS A 38 2.549 -19.878 1.521 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 1.764 -21.071 3.437 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 3.293 -21.649 2.976 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 3.142 -20.629 4.326 1.00 30.43 H new ATOM 649 N TYR A 39 2.351 -14.771 0.148 1.00 74.05 N ATOM 650 CA TYR A 39 1.712 -14.530 -1.124 1.00 12.53 C ATOM 651 C TYR A 39 2.326 -13.283 -1.760 1.00 13.41 C ATOM 652 O TYR A 39 2.247 -13.096 -2.968 1.00 2.12 O ATOM 653 CB TYR A 39 0.215 -14.288 -0.857 1.00 73.50 C ATOM 654 CG TYR A 39 -0.672 -14.213 -2.074 1.00 32.23 C ATOM 655 CD1 TYR A 39 -0.926 -13.009 -2.718 1.00 33.20 C ATOM 656 CD2 TYR A 39 -1.263 -15.353 -2.567 1.00 62.14 C ATOM 657 CE1 TYR A 39 -1.742 -12.954 -3.827 1.00 1.32 C ATOM 658 CE2 TYR A 39 -2.082 -15.314 -3.676 1.00 3.04 C ATOM 659 CZ TYR A 39 -2.319 -14.110 -4.302 1.00 33.11 C ATOM 660 OH TYR A 39 -3.135 -14.061 -5.421 1.00 24.32 O ATOM 0 H TYR A 39 1.787 -14.480 0.947 1.00 74.05 H new ATOM 0 HA TYR A 39 1.847 -15.378 -1.796 1.00 12.53 H new ATOM 0 HB2 TYR A 39 -0.152 -15.087 -0.213 1.00 73.50 H new ATOM 0 HB3 TYR A 39 0.112 -13.357 -0.299 1.00 73.50 H new ATOM 0 HD1 TYR A 39 -0.477 -12.101 -2.344 1.00 33.20 H new ATOM 0 HD2 TYR A 39 -1.082 -16.298 -2.076 1.00 62.14 H new ATOM 0 HE1 TYR A 39 -1.927 -12.011 -4.320 1.00 1.32 H new ATOM 0 HE2 TYR A 39 -2.534 -16.220 -4.051 1.00 3.04 H new ATOM 0 HH TYR A 39 -3.462 -14.962 -5.627 1.00 24.32 H new ATOM 670 N ASN A 40 2.992 -12.487 -0.910 1.00 43.42 N ATOM 671 CA ASN A 40 3.515 -11.152 -1.244 1.00 41.25 C ATOM 672 C ASN A 40 2.331 -10.220 -1.458 1.00 40.41 C ATOM 673 O ASN A 40 1.693 -10.241 -2.512 1.00 21.44 O ATOM 674 CB ASN A 40 4.445 -11.137 -2.475 1.00 44.44 C ATOM 675 CG ASN A 40 5.079 -9.773 -2.709 1.00 2.30 C ATOM 676 OD1 ASN A 40 5.390 -9.040 -1.762 1.00 64.13 O ATOM 677 ND2 ASN A 40 5.240 -9.407 -3.946 1.00 53.45 N ATOM 0 H ASN A 40 3.187 -12.760 0.053 1.00 43.42 H new ATOM 0 HA ASN A 40 4.135 -10.819 -0.412 1.00 41.25 H new ATOM 0 HB2 ASN A 40 5.230 -11.881 -2.342 1.00 44.44 H new ATOM 0 HB3 ASN A 40 3.877 -11.427 -3.359 1.00 44.44 H new ATOM 0 HD21 ASN A 40 5.634 -8.491 -4.160 1.00 53.45 H new ATOM 0 HD22 ASN A 40 4.973 -10.036 -4.703 1.00 53.45 H new ATOM 684 N PRO A 41 1.968 -9.451 -0.433 1.00 2.41 N ATOM 685 CA PRO A 41 0.801 -8.588 -0.478 1.00 33.40 C ATOM 686 C PRO A 41 0.928 -7.425 -1.457 1.00 61.13 C ATOM 687 O PRO A 41 1.619 -6.433 -1.187 1.00 2.50 O ATOM 688 CB PRO A 41 0.652 -8.071 0.967 1.00 23.24 C ATOM 689 CG PRO A 41 1.570 -8.919 1.782 1.00 52.51 C ATOM 690 CD PRO A 41 2.663 -9.347 0.855 1.00 12.41 C ATOM 0 HA PRO A 41 -0.067 -9.141 -0.837 1.00 33.40 H new ATOM 0 HB2 PRO A 41 0.922 -7.017 1.038 1.00 23.24 H new ATOM 0 HB3 PRO A 41 -0.378 -8.160 1.313 1.00 23.24 H new ATOM 0 HG2 PRO A 41 1.971 -8.360 2.627 1.00 52.51 H new ATOM 0 HG3 PRO A 41 1.045 -9.782 2.191 1.00 52.51 H new ATOM 0 HD2 PRO A 41 3.474 -8.619 0.821 1.00 12.41 H new ATOM 0 HD3 PRO A 41 3.101 -10.298 1.157 1.00 12.41 H new ATOM 698 N SER A 42 0.318 -7.591 -2.611 1.00 32.11 N ATOM 699 CA SER A 42 0.191 -6.537 -3.584 1.00 31.54 C ATOM 700 C SER A 42 -0.787 -5.513 -3.010 1.00 35.33 C ATOM 701 O SER A 42 -1.641 -5.888 -2.182 1.00 31.14 O ATOM 702 CB SER A 42 -0.353 -7.134 -4.877 1.00 33.24 C ATOM 703 OG SER A 42 0.451 -8.233 -5.299 1.00 63.24 O ATOM 0 H SER A 42 -0.107 -8.472 -2.899 1.00 32.11 H new ATOM 0 HA SER A 42 1.147 -6.060 -3.798 1.00 31.54 H new ATOM 0 HB2 SER A 42 -1.381 -7.465 -4.727 1.00 33.24 H new ATOM 0 HB3 SER A 42 -0.374 -6.371 -5.656 1.00 33.24 H new ATOM 0 HG SER A 42 0.087 -8.605 -6.129 1.00 63.24 H new ATOM 709 N LEU A 43 -0.711 -4.262 -3.448 1.00 41.22 N ATOM 710 CA LEU A 43 -1.506 -3.212 -2.838 1.00 3.42 C ATOM 711 C LEU A 43 -3.000 -3.471 -2.981 1.00 71.35 C ATOM 712 O LEU A 43 -3.693 -3.416 -1.998 1.00 31.14 O ATOM 713 CB LEU A 43 -1.073 -1.795 -3.328 1.00 34.44 C ATOM 714 CG LEU A 43 -1.721 -0.532 -2.656 1.00 23.40 C ATOM 715 CD1 LEU A 43 -3.152 -0.298 -3.125 1.00 22.03 C ATOM 716 CD2 LEU A 43 -1.665 -0.619 -1.109 1.00 44.53 C ATOM 0 H LEU A 43 -0.113 -3.955 -4.215 1.00 41.22 H new ATOM 0 HA LEU A 43 -1.305 -3.231 -1.767 1.00 3.42 H new ATOM 0 HB2 LEU A 43 0.007 -1.718 -3.203 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -1.274 -1.740 -4.398 1.00 34.44 H new ATOM 0 HG LEU A 43 -1.127 0.325 -2.974 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -3.556 0.586 -2.632 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -3.161 -0.148 -4.205 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -3.763 -1.165 -2.874 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -2.122 0.272 -0.678 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -2.207 -1.503 -0.774 1.00 44.53 H new ATOM 0 HD23 LEU A 43 -0.626 -0.686 -0.786 1.00 44.53 H new ATOM 728 N GLN A 44 -3.487 -3.806 -4.181 1.00 2.30 N ATOM 729 CA GLN A 44 -4.934 -4.046 -4.388 1.00 25.44 C ATOM 730 C GLN A 44 -5.479 -5.109 -3.435 1.00 14.52 C ATOM 731 O GLN A 44 -6.488 -4.892 -2.757 1.00 12.34 O ATOM 732 CB GLN A 44 -5.209 -4.486 -5.836 1.00 43.20 C ATOM 733 CG GLN A 44 -4.937 -3.428 -6.894 1.00 23.12 C ATOM 734 CD GLN A 44 -5.839 -2.226 -6.743 1.00 1.11 C ATOM 735 OE1 GLN A 44 -5.506 -1.269 -6.052 1.00 21.35 O ATOM 736 NE2 GLN A 44 -6.991 -2.271 -7.364 1.00 45.30 N ATOM 0 H GLN A 44 -2.915 -3.918 -5.018 1.00 2.30 H new ATOM 0 HA GLN A 44 -5.442 -3.103 -4.183 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -4.599 -5.362 -6.055 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -6.251 -4.796 -5.914 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -3.896 -3.110 -6.828 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -5.076 -3.862 -7.884 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -7.234 -3.084 -7.930 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -7.646 -1.493 -7.282 1.00 45.30 H new ATOM 745 N LEU A 45 -4.800 -6.237 -3.379 1.00 33.52 N ATOM 746 CA LEU A 45 -5.194 -7.340 -2.513 1.00 33.42 C ATOM 747 C LEU A 45 -5.131 -6.955 -1.041 1.00 12.12 C ATOM 748 O LEU A 45 -6.075 -7.180 -0.301 1.00 53.21 O ATOM 749 CB LEU A 45 -4.349 -8.617 -2.769 1.00 75.22 C ATOM 750 CG LEU A 45 -4.519 -9.340 -4.129 1.00 12.11 C ATOM 751 CD1 LEU A 45 -5.980 -9.667 -4.404 1.00 72.44 C ATOM 752 CD2 LEU A 45 -3.896 -8.560 -5.284 1.00 1.23 C ATOM 0 H LEU A 45 -3.961 -6.419 -3.930 1.00 33.52 H new ATOM 0 HA LEU A 45 -6.230 -7.567 -2.764 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -3.298 -8.349 -2.662 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -4.577 -9.333 -1.979 1.00 75.22 H new ATOM 0 HG LEU A 45 -3.974 -10.281 -4.055 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -6.065 -10.174 -5.365 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -6.362 -10.317 -3.617 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -6.561 -8.745 -4.427 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -4.042 -9.109 -6.214 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.371 -7.582 -5.361 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -2.829 -8.431 -5.102 1.00 1.23 H new ATOM 764 N ALA A 46 -4.043 -6.324 -0.649 1.00 72.35 N ATOM 765 CA ALA A 46 -3.821 -5.961 0.743 1.00 41.10 C ATOM 766 C ALA A 46 -4.757 -4.844 1.185 1.00 44.34 C ATOM 767 O ALA A 46 -5.299 -4.873 2.296 1.00 24.52 O ATOM 768 CB ALA A 46 -2.373 -5.561 0.971 1.00 4.33 C ATOM 0 H ALA A 46 -3.290 -6.048 -1.279 1.00 72.35 H new ATOM 0 HA ALA A 46 -4.040 -6.840 1.350 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -2.230 -5.294 2.018 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.720 -6.396 0.717 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -2.128 -4.705 0.341 1.00 4.33 H new ATOM 774 N LEU A 47 -4.970 -3.883 0.305 1.00 33.43 N ATOM 775 CA LEU A 47 -5.765 -2.727 0.612 1.00 23.45 C ATOM 776 C LEU A 47 -7.210 -3.089 0.806 1.00 50.21 C ATOM 777 O LEU A 47 -7.837 -2.559 1.696 1.00 21.23 O ATOM 778 CB LEU A 47 -5.579 -1.613 -0.457 1.00 32.41 C ATOM 779 CG LEU A 47 -6.312 -0.259 -0.259 1.00 61.44 C ATOM 780 CD1 LEU A 47 -7.800 -0.338 -0.621 1.00 11.43 C ATOM 781 CD2 LEU A 47 -6.137 0.241 1.175 1.00 70.53 C ATOM 0 H LEU A 47 -4.592 -3.890 -0.642 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.410 -2.322 1.560 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -4.512 -1.403 -0.533 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -5.893 -2.021 -1.418 1.00 32.41 H new ATOM 0 HG LEU A 47 -5.854 0.453 -0.945 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -8.265 0.635 -0.464 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -7.905 -0.626 -1.667 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -8.289 -1.079 0.011 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -6.657 1.191 1.295 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -6.552 -0.490 1.869 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -5.076 0.379 1.385 1.00 70.53 H new ATOM 793 N LYS A 48 -7.755 -3.986 0.000 1.00 52.33 N ATOM 794 CA LYS A 48 -9.156 -4.308 0.182 1.00 54.10 C ATOM 795 C LYS A 48 -9.420 -4.945 1.545 1.00 25.41 C ATOM 796 O LYS A 48 -10.423 -4.636 2.188 1.00 42.33 O ATOM 797 CB LYS A 48 -9.798 -5.070 -0.998 1.00 63.32 C ATOM 798 CG LYS A 48 -9.117 -6.356 -1.446 1.00 23.52 C ATOM 799 CD LYS A 48 -9.932 -7.035 -2.555 1.00 64.34 C ATOM 800 CE LYS A 48 -10.116 -6.128 -3.772 1.00 3.10 C ATOM 801 NZ LYS A 48 -11.072 -6.691 -4.758 1.00 33.32 N ATOM 0 H LYS A 48 -7.275 -4.482 -0.751 1.00 52.33 H new ATOM 0 HA LYS A 48 -9.681 -3.353 0.178 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -10.826 -5.309 -0.727 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -9.842 -4.395 -1.853 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -8.112 -6.136 -1.807 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -9.010 -7.033 -0.598 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -9.432 -7.954 -2.861 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -10.909 -7.319 -2.164 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -10.470 -5.151 -3.443 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -9.151 -5.971 -4.254 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -11.163 -6.040 -5.564 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -10.723 -7.611 -5.094 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -12.001 -6.816 -4.308 1.00 33.32 H new ATOM 815 N ILE A 49 -8.484 -5.771 2.007 1.00 54.11 N ATOM 816 CA ILE A 49 -8.581 -6.364 3.344 1.00 1.24 C ATOM 817 C ILE A 49 -8.570 -5.235 4.386 1.00 2.41 C ATOM 818 O ILE A 49 -9.419 -5.170 5.275 1.00 64.12 O ATOM 819 CB ILE A 49 -7.368 -7.276 3.659 1.00 62.52 C ATOM 820 CG1 ILE A 49 -7.051 -8.197 2.482 1.00 62.35 C ATOM 821 CG2 ILE A 49 -7.676 -8.110 4.899 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.792 -9.016 2.655 1.00 35.31 C ATOM 0 H ILE A 49 -7.654 -6.045 1.481 1.00 54.11 H new ATOM 0 HA ILE A 49 -9.497 -6.954 3.377 1.00 1.24 H new ATOM 0 HB ILE A 49 -6.497 -6.647 3.840 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -7.892 -8.873 2.328 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -6.957 -7.594 1.579 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -6.826 -8.754 5.125 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -7.865 -7.449 5.744 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -8.557 -8.724 4.715 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.641 -9.642 1.775 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -4.938 -8.349 2.777 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -5.888 -9.648 3.538 1.00 35.31 H new ATOM 834 N ALA A 50 -7.654 -4.303 4.174 1.00 44.20 N ATOM 835 CA ALA A 50 -7.413 -3.171 5.059 1.00 11.21 C ATOM 836 C ALA A 50 -8.609 -2.256 5.116 1.00 70.10 C ATOM 837 O ALA A 50 -8.959 -1.713 6.156 1.00 34.45 O ATOM 838 CB ALA A 50 -6.257 -2.379 4.524 1.00 53.40 C ATOM 0 H ALA A 50 -7.040 -4.312 3.359 1.00 44.20 H new ATOM 0 HA ALA A 50 -7.210 -3.557 6.058 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.066 -1.528 5.177 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.370 -3.012 4.483 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.494 -2.021 3.522 1.00 53.40 H new ATOM 844 N TYR A 51 -9.202 -2.085 3.970 1.00 50.04 N ATOM 845 CA TYR A 51 -10.304 -1.213 3.758 1.00 11.22 C ATOM 846 C TYR A 51 -11.529 -1.683 4.546 1.00 40.54 C ATOM 847 O TYR A 51 -12.174 -0.890 5.231 1.00 51.22 O ATOM 848 CB TYR A 51 -10.584 -1.153 2.245 1.00 31.54 C ATOM 849 CG TYR A 51 -11.600 -0.142 1.836 1.00 42.44 C ATOM 850 CD1 TYR A 51 -12.929 -0.436 1.916 1.00 52.31 C ATOM 851 CD2 TYR A 51 -11.220 1.110 1.380 1.00 73.13 C ATOM 852 CE1 TYR A 51 -13.884 0.484 1.562 1.00 14.05 C ATOM 853 CE2 TYR A 51 -12.159 2.042 1.016 1.00 33.41 C ATOM 854 CZ TYR A 51 -13.491 1.727 1.115 1.00 45.04 C ATOM 855 OH TYR A 51 -14.436 2.662 0.778 1.00 12.24 O ATOM 0 H TYR A 51 -8.912 -2.575 3.124 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.069 -0.212 4.120 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -9.650 -0.939 1.725 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -10.916 -2.136 1.912 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -13.236 -1.411 2.264 1.00 52.31 H new ATOM 0 HD2 TYR A 51 -10.171 1.356 1.310 1.00 73.13 H new ATOM 0 HE1 TYR A 51 -14.933 0.236 1.633 1.00 14.05 H new ATOM 0 HE2 TYR A 51 -11.853 3.013 0.655 1.00 33.41 H new ATOM 0 HH TYR A 51 -13.992 3.485 0.484 1.00 12.24 H new ATOM 865 N TYR A 52 -11.834 -2.963 4.449 1.00 52.41 N ATOM 866 CA TYR A 52 -12.988 -3.524 5.146 1.00 3.45 C ATOM 867 C TYR A 52 -12.765 -3.680 6.639 1.00 25.43 C ATOM 868 O TYR A 52 -13.707 -3.635 7.428 1.00 40.30 O ATOM 869 CB TYR A 52 -13.502 -4.784 4.481 1.00 51.32 C ATOM 870 CG TYR A 52 -14.134 -4.479 3.150 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.422 -3.976 3.083 1.00 25.42 C ATOM 872 CD2 TYR A 52 -13.447 -4.667 1.967 1.00 1.22 C ATOM 873 CE1 TYR A 52 -16.000 -3.672 1.879 1.00 72.42 C ATOM 874 CE2 TYR A 52 -14.019 -4.368 0.755 1.00 0.00 C ATOM 875 CZ TYR A 52 -15.296 -3.869 0.719 1.00 75.33 C ATOM 876 OH TYR A 52 -15.870 -3.559 -0.484 1.00 10.50 O ATOM 0 H TYR A 52 -11.304 -3.637 3.897 1.00 52.41 H new ATOM 0 HA TYR A 52 -13.787 -2.788 5.056 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.680 -5.487 4.344 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -14.231 -5.269 5.130 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.980 -3.821 3.995 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -12.440 -5.057 1.996 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -17.005 -3.279 1.844 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -13.469 -4.524 -0.161 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.239 -3.756 -1.208 1.00 10.50 H new ATOM 886 N LEU A 53 -11.519 -3.880 7.017 1.00 43.52 N ATOM 887 CA LEU A 53 -11.149 -3.921 8.430 1.00 35.04 C ATOM 888 C LEU A 53 -11.116 -2.500 8.989 1.00 52.42 C ATOM 889 O LEU A 53 -11.146 -2.296 10.204 1.00 34.31 O ATOM 890 CB LEU A 53 -9.785 -4.602 8.623 1.00 34.25 C ATOM 891 CG LEU A 53 -9.707 -6.088 8.248 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.284 -6.598 8.382 1.00 73.24 C ATOM 893 CD2 LEU A 53 -10.641 -6.910 9.121 1.00 30.33 C ATOM 0 H LEU A 53 -10.741 -4.017 6.372 1.00 43.52 H new ATOM 0 HA LEU A 53 -11.894 -4.506 8.970 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -9.046 -4.061 8.032 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.496 -4.498 9.669 1.00 34.25 H new ATOM 0 HG LEU A 53 -10.019 -6.193 7.209 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -8.249 -7.653 8.112 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -7.631 -6.032 7.718 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -7.949 -6.476 9.412 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -10.571 -7.961 8.840 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -10.357 -6.795 10.167 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -11.666 -6.565 8.983 1.00 30.33 H new ATOM 904 N ASN A 54 -11.107 -1.543 8.059 1.00 23.44 N ATOM 905 CA ASN A 54 -11.052 -0.100 8.297 1.00 34.54 C ATOM 906 C ASN A 54 -10.045 0.277 9.373 1.00 23.31 C ATOM 907 O ASN A 54 -10.384 0.486 10.537 1.00 53.04 O ATOM 908 CB ASN A 54 -12.449 0.486 8.558 1.00 0.13 C ATOM 909 CG ASN A 54 -12.453 2.001 8.670 1.00 2.32 C ATOM 910 OD1 ASN A 54 -11.613 2.685 8.094 1.00 41.33 O ATOM 911 ND2 ASN A 54 -13.418 2.528 9.361 1.00 61.11 N ATOM 0 H ASN A 54 -11.140 -1.767 7.064 1.00 23.44 H new ATOM 0 HA ASN A 54 -10.686 0.359 7.378 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.118 0.186 7.751 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.848 0.059 9.478 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -13.495 3.542 9.438 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -14.099 1.928 9.827 1.00 61.11 H new ATOM 918 N THR A 55 -8.809 0.236 9.003 1.00 45.02 N ATOM 919 CA THR A 55 -7.715 0.549 9.875 1.00 24.13 C ATOM 920 C THR A 55 -6.600 1.128 8.984 1.00 75.14 C ATOM 921 O THR A 55 -6.487 0.702 7.823 1.00 45.22 O ATOM 922 CB THR A 55 -7.243 -0.764 10.588 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.365 -1.390 11.251 1.00 22.11 O ATOM 924 CG2 THR A 55 -6.177 -0.491 11.617 1.00 53.13 C ATOM 0 H THR A 55 -8.519 -0.023 8.060 1.00 45.02 H new ATOM 0 HA THR A 55 -7.992 1.267 10.647 1.00 24.13 H new ATOM 0 HB THR A 55 -6.830 -1.419 9.821 1.00 33.24 H new ATOM 0 HG1 THR A 55 -8.066 -2.211 11.694 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.878 -1.427 12.088 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.313 -0.035 11.134 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.568 0.187 12.375 1.00 53.13 H new ATOM 932 N PRO A 56 -5.816 2.139 9.452 1.00 2.53 N ATOM 933 CA PRO A 56 -4.748 2.734 8.645 1.00 62.14 C ATOM 934 C PRO A 56 -3.736 1.700 8.225 1.00 22.43 C ATOM 935 O PRO A 56 -3.424 0.766 8.996 1.00 73.34 O ATOM 936 CB PRO A 56 -4.092 3.774 9.566 1.00 52.13 C ATOM 937 CG PRO A 56 -4.552 3.420 10.938 1.00 3.21 C ATOM 938 CD PRO A 56 -5.900 2.773 10.779 1.00 22.03 C ATOM 0 HA PRO A 56 -5.138 3.172 7.726 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -3.005 3.736 9.492 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -4.395 4.786 9.297 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -3.849 2.740 11.420 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -4.619 4.308 11.567 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -6.090 2.041 11.564 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -6.706 3.505 10.825 1.00 22.03 H new ATOM 946 N LEU A 57 -3.238 1.847 7.015 1.00 62.42 N ATOM 947 CA LEU A 57 -2.260 0.925 6.460 1.00 13.13 C ATOM 948 C LEU A 57 -1.056 0.774 7.350 1.00 71.12 C ATOM 949 O LEU A 57 -0.536 -0.322 7.486 1.00 53.41 O ATOM 950 CB LEU A 57 -1.834 1.332 5.052 1.00 34.12 C ATOM 951 CG LEU A 57 -2.926 1.265 3.996 1.00 42.20 C ATOM 952 CD1 LEU A 57 -2.372 1.624 2.637 1.00 35.04 C ATOM 953 CD2 LEU A 57 -3.529 -0.117 3.970 1.00 13.21 C ATOM 0 H LEU A 57 -3.497 2.607 6.386 1.00 62.42 H new ATOM 0 HA LEU A 57 -2.753 -0.045 6.399 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -1.448 2.351 5.088 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -1.010 0.690 4.740 1.00 34.12 H new ATOM 0 HG LEU A 57 -3.704 1.986 4.248 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -3.168 1.571 1.894 1.00 35.04 H new ATOM 0 HD12 LEU A 57 -1.968 2.636 2.664 1.00 35.04 H new ATOM 0 HD13 LEU A 57 -1.580 0.925 2.371 1.00 35.04 H new ATOM 0 HD21 LEU A 57 -4.311 -0.159 3.212 1.00 13.21 H new ATOM 0 HD22 LEU A 57 -2.755 -0.847 3.734 1.00 13.21 H new ATOM 0 HD23 LEU A 57 -3.958 -0.345 4.946 1.00 13.21 H new ATOM 964 N GLU A 58 -0.659 1.869 7.982 1.00 41.15 N ATOM 965 CA GLU A 58 0.487 1.898 8.887 1.00 25.13 C ATOM 966 C GLU A 58 0.311 0.923 10.050 1.00 23.31 C ATOM 967 O GLU A 58 1.281 0.328 10.519 1.00 41.22 O ATOM 968 CB GLU A 58 0.726 3.305 9.481 1.00 25.40 C ATOM 969 CG GLU A 58 0.716 4.462 8.490 1.00 63.30 C ATOM 970 CD GLU A 58 -0.670 4.979 8.208 1.00 34.03 C ATOM 971 OE1 GLU A 58 -1.342 4.450 7.314 1.00 53.22 O ATOM 972 OE2 GLU A 58 -1.112 5.924 8.888 1.00 71.30 O ATOM 0 H GLU A 58 -1.125 2.771 7.882 1.00 41.15 H new ATOM 0 HA GLU A 58 1.345 1.608 8.281 1.00 25.13 H new ATOM 0 HB2 GLU A 58 -0.038 3.493 10.235 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.687 3.302 9.995 1.00 25.40 H new ATOM 0 HG2 GLU A 58 1.329 5.274 8.881 1.00 63.30 H new ATOM 0 HG3 GLU A 58 1.175 4.138 7.556 1.00 63.30 H new ATOM 979 N ASP A 59 -0.907 0.792 10.549 1.00 34.01 N ATOM 980 CA ASP A 59 -1.172 -0.120 11.661 1.00 63.41 C ATOM 981 C ASP A 59 -1.104 -1.569 11.200 1.00 42.14 C ATOM 982 O ASP A 59 -0.450 -2.418 11.834 1.00 72.41 O ATOM 983 CB ASP A 59 -2.512 0.183 12.340 1.00 22.41 C ATOM 984 CG ASP A 59 -2.824 -0.770 13.487 1.00 52.54 C ATOM 985 OD1 ASP A 59 -2.032 -0.861 14.452 1.00 60.45 O ATOM 986 OD2 ASP A 59 -3.880 -1.402 13.474 1.00 14.52 O ATOM 0 H ASP A 59 -1.724 1.298 10.209 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.392 0.037 12.407 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.500 1.206 12.717 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.310 0.126 11.600 1.00 22.41 H new ATOM 991 N ILE A 60 -1.711 -1.809 10.051 1.00 25.13 N ATOM 992 CA ILE A 60 -1.846 -3.144 9.480 1.00 73.13 C ATOM 993 C ILE A 60 -0.506 -3.672 8.966 1.00 51.12 C ATOM 994 O ILE A 60 -0.112 -4.807 9.256 1.00 44.15 O ATOM 995 CB ILE A 60 -2.914 -3.170 8.360 1.00 50.03 C ATOM 996 CG1 ILE A 60 -4.252 -2.668 8.920 1.00 75.01 C ATOM 997 CG2 ILE A 60 -3.065 -4.581 7.802 1.00 14.41 C ATOM 998 CD1 ILE A 60 -5.376 -2.649 7.918 1.00 50.54 C ATOM 0 H ILE A 60 -2.130 -1.076 9.479 1.00 25.13 H new ATOM 0 HA ILE A 60 -2.179 -3.806 10.279 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.598 -2.516 7.547 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.541 -3.300 9.760 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -4.113 -1.660 9.312 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -3.820 -4.582 7.015 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -2.112 -4.914 7.391 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.372 -5.257 8.600 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -6.284 -2.281 8.396 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -5.112 -1.994 7.088 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.546 -3.658 7.543 1.00 50.54 H new ATOM 1010 N PHE A 61 0.163 -2.886 8.184 1.00 35.15 N ATOM 1011 CA PHE A 61 1.461 -3.259 7.725 1.00 22.52 C ATOM 1012 C PHE A 61 2.463 -2.254 8.196 1.00 61.31 C ATOM 1013 O PHE A 61 2.209 -1.062 8.186 1.00 64.35 O ATOM 1014 CB PHE A 61 1.506 -3.406 6.185 1.00 0.12 C ATOM 1015 CG PHE A 61 0.652 -4.527 5.657 1.00 21.33 C ATOM 1016 CD1 PHE A 61 1.068 -5.845 5.776 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -0.561 -4.264 5.039 1.00 50.52 C ATOM 1018 CE1 PHE A 61 0.288 -6.878 5.291 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -1.344 -5.293 4.552 1.00 53.10 C ATOM 1020 CZ PHE A 61 -0.918 -6.602 4.679 1.00 22.32 C ATOM 0 H PHE A 61 -0.169 -1.981 7.850 1.00 35.15 H new ATOM 0 HA PHE A 61 1.706 -4.236 8.142 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.182 -2.470 5.730 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.538 -3.571 5.875 1.00 0.12 H new ATOM 0 HD1 PHE A 61 2.011 -6.066 6.253 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -0.898 -3.243 4.937 1.00 50.52 H new ATOM 0 HE1 PHE A 61 0.622 -7.900 5.391 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -2.287 -5.075 4.073 1.00 53.10 H new ATOM 0 HZ PHE A 61 -1.528 -7.408 4.300 1.00 22.32 H new ATOM 1030 N GLN A 62 3.588 -2.725 8.592 1.00 72.24 N ATOM 1031 CA GLN A 62 4.632 -1.865 9.026 1.00 2.15 C ATOM 1032 C GLN A 62 5.750 -2.009 8.046 1.00 41.21 C ATOM 1033 O GLN A 62 6.188 -3.126 7.743 1.00 54.12 O ATOM 1034 CB GLN A 62 5.072 -2.220 10.448 1.00 43.12 C ATOM 1035 CG GLN A 62 6.125 -1.284 11.030 1.00 54.21 C ATOM 1036 CD GLN A 62 6.517 -1.632 12.457 1.00 62.30 C ATOM 1037 OE1 GLN A 62 7.646 -1.403 12.873 1.00 51.34 O ATOM 1038 NE2 GLN A 62 5.589 -2.164 13.223 1.00 41.41 N ATOM 0 H GLN A 62 3.814 -3.719 8.625 1.00 72.24 H new ATOM 0 HA GLN A 62 4.298 -0.828 9.062 1.00 2.15 H new ATOM 0 HB2 GLN A 62 4.198 -2.214 11.099 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.465 -3.237 10.451 1.00 43.12 H new ATOM 0 HG2 GLN A 62 7.014 -1.312 10.400 1.00 54.21 H new ATOM 0 HG3 GLN A 62 5.747 -0.262 11.003 1.00 54.21 H new ATOM 0 HE21 GLN A 62 4.658 -2.343 12.847 1.00 41.41 H new ATOM 0 HE22 GLN A 62 5.801 -2.398 14.193 1.00 41.41 H new ATOM 1047 N TRP A 63 6.177 -0.927 7.516 1.00 13.44 N ATOM 1048 CA TRP A 63 7.172 -0.951 6.514 1.00 61.35 C ATOM 1049 C TRP A 63 8.455 -0.339 6.970 1.00 61.52 C ATOM 1050 O TRP A 63 8.495 0.807 7.393 1.00 24.43 O ATOM 1051 CB TRP A 63 6.661 -0.326 5.220 1.00 14.01 C ATOM 1052 CG TRP A 63 5.912 0.988 5.367 1.00 34.23 C ATOM 1053 CD1 TRP A 63 6.437 2.246 5.486 1.00 3.21 C ATOM 1054 CD2 TRP A 63 4.485 1.152 5.356 1.00 53.32 C ATOM 1055 NE1 TRP A 63 5.424 3.172 5.561 1.00 11.14 N ATOM 1056 CE2 TRP A 63 4.218 2.526 5.478 1.00 74.31 C ATOM 1057 CE3 TRP A 63 3.408 0.261 5.255 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 2.917 3.033 5.497 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.126 0.763 5.270 1.00 3.40 C ATOM 1060 CH2 TRP A 63 1.886 2.135 5.387 1.00 31.53 C ATOM 0 H TRP A 63 5.845 0.005 7.765 1.00 13.44 H new ATOM 0 HA TRP A 63 7.397 -1.997 6.306 1.00 61.35 H new ATOM 0 HB2 TRP A 63 7.511 -0.165 4.557 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.004 -1.043 4.728 1.00 14.01 H new ATOM 0 HD1 TRP A 63 7.492 2.477 5.516 1.00 3.21 H new ATOM 0 HE1 TRP A 63 5.550 4.179 5.662 1.00 11.14 H new ATOM 0 HE3 TRP A 63 3.581 -0.801 5.167 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 2.730 4.092 5.595 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 1.290 0.084 5.190 1.00 3.40 H new ATOM 0 HH2 TRP A 63 0.868 2.495 5.391 1.00 31.53 H new ATOM 1071 N GLN A 64 9.499 -1.117 6.898 1.00 35.50 N ATOM 1072 CA GLN A 64 10.817 -0.669 7.257 1.00 11.44 C ATOM 1073 C GLN A 64 11.676 -0.727 5.991 1.00 30.22 C ATOM 1074 O GLN A 64 12.323 -1.751 5.730 1.00 33.31 O ATOM 1075 CB GLN A 64 11.434 -1.599 8.322 1.00 44.22 C ATOM 1076 CG GLN A 64 10.553 -1.882 9.537 1.00 32.13 C ATOM 1077 CD GLN A 64 10.240 -0.656 10.363 1.00 24.43 C ATOM 1078 OE1 GLN A 64 9.254 0.036 10.134 1.00 13.50 O ATOM 1079 NE2 GLN A 64 11.060 -0.388 11.329 1.00 53.21 N ATOM 0 H GLN A 64 9.460 -2.087 6.586 1.00 35.50 H new ATOM 0 HA GLN A 64 10.770 0.340 7.666 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.686 -2.548 7.849 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.369 -1.157 8.668 1.00 44.22 H new ATOM 0 HG2 GLN A 64 9.618 -2.330 9.200 1.00 32.13 H new ATOM 0 HG3 GLN A 64 11.049 -2.618 10.170 1.00 32.13 H new ATOM 0 HE21 GLN A 64 11.870 -0.986 11.491 1.00 53.21 H new ATOM 0 HE22 GLN A 64 10.895 0.421 11.928 1.00 53.21 H new ATOM 1088 N PRO A 65 11.628 0.311 5.134 1.00 63.05 N ATOM 1089 CA PRO A 65 12.388 0.322 3.883 1.00 13.14 C ATOM 1090 C PRO A 65 13.869 0.529 4.154 1.00 44.11 C ATOM 1091 O PRO A 65 14.699 -0.311 3.821 1.00 4.41 O ATOM 1092 CB PRO A 65 11.804 1.527 3.107 1.00 11.15 C ATOM 1093 CG PRO A 65 10.598 1.961 3.882 1.00 34.32 C ATOM 1094 CD PRO A 65 10.845 1.543 5.299 1.00 62.43 C ATOM 0 HA PRO A 65 12.307 -0.616 3.334 1.00 13.14 H new ATOM 0 HB2 PRO A 65 12.532 2.334 3.031 1.00 11.15 H new ATOM 0 HB3 PRO A 65 11.535 1.244 2.089 1.00 11.15 H new ATOM 0 HG2 PRO A 65 10.457 3.040 3.812 1.00 34.32 H new ATOM 0 HG3 PRO A 65 9.694 1.495 3.490 1.00 34.32 H new ATOM 0 HD2 PRO A 65 11.395 2.302 5.856 1.00 62.43 H new ATOM 0 HD3 PRO A 65 9.914 1.364 5.837 1.00 62.43 H new ATOM 1102 N GLU A 66 14.160 1.620 4.801 1.00 22.55 N ATOM 1103 CA GLU A 66 15.502 1.981 5.146 1.00 60.44 C ATOM 1104 C GLU A 66 15.874 1.254 6.412 1.00 3.22 C ATOM 1105 O GLU A 66 16.478 0.174 6.321 1.00 11.44 O ATOM 1106 CB GLU A 66 15.623 3.493 5.324 1.00 14.51 C ATOM 1107 CG GLU A 66 15.180 4.288 4.109 1.00 33.32 C ATOM 1108 CD GLU A 66 15.967 3.952 2.876 1.00 75.24 C ATOM 1109 OE1 GLU A 66 17.095 4.431 2.741 1.00 24.43 O ATOM 1110 OE2 GLU A 66 15.460 3.208 1.999 1.00 31.01 O ATOM 1111 OXT GLU A 66 15.472 1.706 7.497 1.00 0.00 O ATOM 0 H GLU A 66 13.459 2.294 5.108 1.00 22.55 H new ATOM 0 HA GLU A 66 16.185 1.696 4.346 1.00 60.44 H new ATOM 0 HB2 GLU A 66 15.026 3.798 6.184 1.00 14.51 H new ATOM 0 HB3 GLU A 66 16.660 3.741 5.551 1.00 14.51 H new ATOM 0 HG2 GLU A 66 14.123 4.099 3.922 1.00 33.32 H new ATOM 0 HG3 GLU A 66 15.281 5.353 4.320 1.00 33.32 H new TER 1118 GLU A 66 ATOM 1119 N MET B 67 -10.364 0.879 -8.442 1.00 4.52 N ATOM 1120 CA MET B 67 -9.968 2.068 -9.196 1.00 15.43 C ATOM 1121 C MET B 67 -9.009 2.879 -8.366 1.00 54.41 C ATOM 1122 O MET B 67 -9.259 3.116 -7.186 1.00 33.23 O ATOM 1123 CB MET B 67 -11.186 2.928 -9.571 1.00 32.24 C ATOM 1124 CG MET B 67 -12.153 2.272 -10.541 1.00 0.23 C ATOM 1125 SD MET B 67 -11.400 1.906 -12.140 1.00 54.32 S ATOM 1126 CE MET B 67 -12.800 1.196 -13.011 1.00 74.51 C ATOM 0 HA MET B 67 -9.489 1.747 -10.121 1.00 15.43 H new ATOM 0 HB2 MET B 67 -11.726 3.186 -8.660 1.00 32.24 H new ATOM 0 HB3 MET B 67 -10.833 3.862 -10.007 1.00 32.24 H new ATOM 0 HG2 MET B 67 -12.530 1.348 -10.102 1.00 0.23 H new ATOM 0 HG3 MET B 67 -13.011 2.927 -10.690 1.00 0.23 H new ATOM 0 HE1 MET B 67 -12.497 0.916 -14.020 1.00 74.51 H new ATOM 0 HE2 MET B 67 -13.149 0.311 -12.479 1.00 74.51 H new ATOM 0 HE3 MET B 67 -13.605 1.929 -13.064 1.00 74.51 H new ATOM 1138 N ILE B 68 -7.920 3.283 -8.961 1.00 22.43 N ATOM 1139 CA ILE B 68 -6.913 4.066 -8.283 1.00 32.41 C ATOM 1140 C ILE B 68 -6.915 5.490 -8.815 1.00 45.13 C ATOM 1141 O ILE B 68 -6.940 5.716 -10.025 1.00 32.11 O ATOM 1142 CB ILE B 68 -5.487 3.436 -8.437 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -5.434 2.041 -7.792 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -4.391 4.339 -7.852 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -5.724 2.026 -6.305 1.00 54.01 C ATOM 0 H ILE B 68 -7.701 3.079 -9.936 1.00 22.43 H new ATOM 0 HA ILE B 68 -7.158 4.075 -7.221 1.00 32.41 H new ATOM 0 HB ILE B 68 -5.294 3.337 -9.505 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -6.152 1.394 -8.296 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -4.446 1.613 -7.961 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -3.419 3.862 -7.981 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -4.396 5.299 -8.369 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -4.579 4.498 -6.790 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -5.665 1.003 -5.933 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -4.992 2.644 -5.785 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -6.724 2.421 -6.125 1.00 54.01 H new ATOM 1157 N ILE B 69 -6.917 6.423 -7.909 1.00 31.31 N ATOM 1158 CA ILE B 69 -6.851 7.827 -8.200 1.00 25.12 C ATOM 1159 C ILE B 69 -5.583 8.302 -7.508 1.00 13.31 C ATOM 1160 O ILE B 69 -5.368 7.989 -6.341 1.00 33.20 O ATOM 1161 CB ILE B 69 -8.095 8.636 -7.651 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -9.439 8.182 -8.287 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -7.912 10.135 -7.852 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -9.984 6.847 -7.795 1.00 2.41 C ATOM 0 H ILE B 69 -6.966 6.221 -6.910 1.00 31.31 H new ATOM 0 HA ILE B 69 -6.853 7.993 -9.277 1.00 25.12 H new ATOM 0 HB ILE B 69 -8.145 8.419 -6.584 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -10.188 8.951 -8.098 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -9.307 8.124 -9.367 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -8.783 10.663 -7.465 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -7.020 10.467 -7.320 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -7.801 10.349 -8.915 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -10.923 6.628 -8.303 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -9.263 6.058 -8.009 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -10.157 6.898 -6.720 1.00 2.41 H new ATOM 1176 N ASN B 70 -4.740 8.989 -8.199 1.00 20.22 N ATOM 1177 CA ASN B 70 -3.448 9.363 -7.660 1.00 24.23 C ATOM 1178 C ASN B 70 -3.431 10.826 -7.249 1.00 32.00 C ATOM 1179 O ASN B 70 -3.706 11.706 -8.062 1.00 60.31 O ATOM 1180 CB ASN B 70 -2.384 9.067 -8.741 1.00 41.35 C ATOM 1181 CG ASN B 70 -0.945 9.410 -8.375 1.00 44.33 C ATOM 1182 OD1 ASN B 70 -0.658 10.355 -7.672 1.00 51.44 O ATOM 1183 ND2 ASN B 70 -0.040 8.616 -8.846 1.00 33.01 N ATOM 0 H ASN B 70 -4.911 9.313 -9.151 1.00 20.22 H new ATOM 0 HA ASN B 70 -3.232 8.787 -6.760 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -2.432 8.007 -8.989 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -2.649 9.617 -9.644 1.00 41.35 H new ATOM 0 HD21 ASN B 70 0.943 8.777 -8.628 1.00 33.01 H new ATOM 0 HD22 ASN B 70 -0.309 7.828 -9.435 1.00 33.01 H new ATOM 1190 N ASN B 71 -3.071 11.092 -6.000 1.00 65.43 N ATOM 1191 CA ASN B 71 -2.976 12.465 -5.510 1.00 54.20 C ATOM 1192 C ASN B 71 -1.582 12.694 -4.953 1.00 74.31 C ATOM 1193 O ASN B 71 -1.325 13.670 -4.273 1.00 70.34 O ATOM 1194 CB ASN B 71 -4.036 12.805 -4.435 1.00 72.22 C ATOM 1195 CG ASN B 71 -5.479 12.736 -4.929 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -5.769 12.962 -6.108 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -6.387 12.453 -4.034 1.00 62.53 N ATOM 0 H ASN B 71 -2.840 10.379 -5.308 1.00 65.43 H new ATOM 0 HA ASN B 71 -3.171 13.127 -6.354 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -3.919 12.119 -3.596 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -3.842 13.808 -4.055 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -7.371 12.413 -4.300 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -6.112 12.272 -3.069 1.00 62.53 H new ATOM 1204 N LEU B 72 -0.666 11.805 -5.335 1.00 31.42 N ATOM 1205 CA LEU B 72 0.749 11.838 -4.916 1.00 41.12 C ATOM 1206 C LEU B 72 1.379 13.156 -5.366 1.00 32.41 C ATOM 1207 O LEU B 72 2.245 13.717 -4.687 1.00 15.34 O ATOM 1208 CB LEU B 72 1.489 10.573 -5.482 1.00 22.14 C ATOM 1209 CG LEU B 72 3.016 10.375 -5.243 1.00 2.34 C ATOM 1210 CD1 LEU B 72 3.851 11.164 -6.232 1.00 11.20 C ATOM 1211 CD2 LEU B 72 3.411 10.727 -3.811 1.00 33.32 C ATOM 0 H LEU B 72 -0.883 11.025 -5.955 1.00 31.42 H new ATOM 0 HA LEU B 72 0.836 11.798 -3.830 1.00 41.12 H new ATOM 0 HB2 LEU B 72 0.984 9.697 -5.076 1.00 22.14 H new ATOM 0 HB3 LEU B 72 1.328 10.562 -6.560 1.00 22.14 H new ATOM 0 HG LEU B 72 3.221 9.316 -5.402 1.00 2.34 H new ATOM 0 HD11 LEU B 72 4.909 10.997 -6.029 1.00 11.20 H new ATOM 0 HD12 LEU B 72 3.620 10.837 -7.246 1.00 11.20 H new ATOM 0 HD13 LEU B 72 3.626 12.226 -6.133 1.00 11.20 H new ATOM 0 HD21 LEU B 72 4.483 10.577 -3.682 1.00 33.32 H new ATOM 0 HD22 LEU B 72 3.164 11.770 -3.611 1.00 33.32 H new ATOM 0 HD23 LEU B 72 2.868 10.086 -3.116 1.00 33.32 H new ATOM 1223 N LYS B 73 0.878 13.656 -6.481 1.00 14.34 N ATOM 1224 CA LYS B 73 1.280 14.934 -7.057 1.00 42.10 C ATOM 1225 C LYS B 73 1.133 16.079 -6.021 1.00 53.11 C ATOM 1226 O LYS B 73 1.979 16.962 -5.934 1.00 74.22 O ATOM 1227 CB LYS B 73 0.439 15.211 -8.322 1.00 5.41 C ATOM 1228 CG LYS B 73 -1.069 15.314 -8.072 1.00 35.52 C ATOM 1229 CD LYS B 73 -1.868 15.425 -9.360 1.00 25.45 C ATOM 1230 CE LYS B 73 -1.869 14.118 -10.135 1.00 12.21 C ATOM 1231 NZ LYS B 73 -2.629 14.219 -11.399 1.00 61.12 N ATOM 0 H LYS B 73 0.163 13.176 -7.027 1.00 14.34 H new ATOM 0 HA LYS B 73 2.332 14.887 -7.337 1.00 42.10 H new ATOM 0 HB2 LYS B 73 0.784 16.140 -8.776 1.00 5.41 H new ATOM 0 HB3 LYS B 73 0.621 14.416 -9.045 1.00 5.41 H new ATOM 0 HG2 LYS B 73 -1.402 14.437 -7.516 1.00 35.52 H new ATOM 0 HG3 LYS B 73 -1.271 16.184 -7.447 1.00 35.52 H new ATOM 0 HD2 LYS B 73 -2.894 15.712 -9.128 1.00 25.45 H new ATOM 0 HD3 LYS B 73 -1.449 16.216 -9.981 1.00 25.45 H new ATOM 0 HE2 LYS B 73 -0.842 13.826 -10.353 1.00 12.21 H new ATOM 0 HE3 LYS B 73 -2.300 13.331 -9.516 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 -2.603 13.305 -11.894 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 -3.616 14.472 -11.191 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 -2.204 14.952 -12.002 1.00 61.12 H new ATOM 1245 N LEU B 74 0.055 16.027 -5.238 1.00 3.54 N ATOM 1246 CA LEU B 74 -0.231 16.999 -4.198 1.00 24.22 C ATOM 1247 C LEU B 74 0.875 17.019 -3.148 1.00 33.32 C ATOM 1248 O LEU B 74 1.329 18.086 -2.735 1.00 35.35 O ATOM 1249 CB LEU B 74 -1.568 16.647 -3.545 1.00 15.15 C ATOM 1250 CG LEU B 74 -2.074 17.583 -2.461 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -2.305 18.964 -3.029 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -3.351 17.036 -1.875 1.00 34.11 C ATOM 0 H LEU B 74 -0.651 15.295 -5.315 1.00 3.54 H new ATOM 0 HA LEU B 74 -0.284 17.992 -4.645 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -2.324 16.596 -4.328 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.483 15.648 -3.117 1.00 15.15 H new ATOM 0 HG LEU B 74 -1.324 17.656 -1.673 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -2.668 19.625 -2.242 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -1.369 19.354 -3.428 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -3.045 18.910 -3.827 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -3.712 17.709 -1.097 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -4.103 16.950 -2.659 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -3.162 16.053 -1.444 1.00 34.11 H new ATOM 1264 N ILE B 75 1.328 15.838 -2.755 1.00 72.34 N ATOM 1265 CA ILE B 75 2.379 15.712 -1.751 1.00 55.53 C ATOM 1266 C ILE B 75 3.701 16.243 -2.320 1.00 3.21 C ATOM 1267 O ILE B 75 4.487 16.880 -1.611 1.00 40.20 O ATOM 1268 CB ILE B 75 2.565 14.238 -1.201 1.00 33.31 C ATOM 1269 CG1 ILE B 75 1.298 13.697 -0.484 1.00 5.53 C ATOM 1270 CG2 ILE B 75 3.743 14.166 -0.234 1.00 15.31 C ATOM 1271 CD1 ILE B 75 0.123 13.357 -1.379 1.00 1.24 C ATOM 0 H ILE B 75 0.984 14.949 -3.117 1.00 72.34 H new ATOM 0 HA ILE B 75 2.068 16.311 -0.895 1.00 55.53 H new ATOM 0 HB ILE B 75 2.753 13.614 -2.074 1.00 33.31 H new ATOM 0 HG12 ILE B 75 1.575 12.803 0.075 1.00 5.53 H new ATOM 0 HG13 ILE B 75 0.972 14.440 0.244 1.00 5.53 H new ATOM 0 HG21 ILE B 75 3.852 13.145 0.131 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.655 14.467 -0.749 1.00 15.31 H new ATOM 0 HG23 ILE B 75 3.564 14.835 0.608 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -0.703 12.990 -0.771 1.00 1.24 H new ATOM 0 HD12 ILE B 75 -0.193 14.249 -1.919 1.00 1.24 H new ATOM 0 HD13 ILE B 75 0.419 12.587 -2.092 1.00 1.24 H new ATOM 1283 N ARG B 76 3.932 15.972 -3.603 1.00 23.44 N ATOM 1284 CA ARG B 76 5.111 16.482 -4.321 1.00 2.23 C ATOM 1285 C ARG B 76 5.170 18.014 -4.265 1.00 61.23 C ATOM 1286 O ARG B 76 6.241 18.598 -4.316 1.00 0.10 O ATOM 1287 CB ARG B 76 5.095 16.007 -5.782 1.00 24.15 C ATOM 1288 CG ARG B 76 5.003 14.497 -5.931 1.00 71.12 C ATOM 1289 CD ARG B 76 6.215 13.795 -5.385 1.00 32.20 C ATOM 1290 NE ARG B 76 7.339 13.916 -6.287 1.00 64.13 N ATOM 1291 CZ ARG B 76 8.589 14.119 -5.931 1.00 4.20 C ATOM 1292 NH1 ARG B 76 8.904 14.297 -4.638 1.00 64.25 N ATOM 1293 NH2 ARG B 76 9.521 14.168 -6.858 1.00 51.23 N ATOM 0 H ARG B 76 3.315 15.397 -4.176 1.00 23.44 H new ATOM 0 HA ARG B 76 6.001 16.087 -3.830 1.00 2.23 H new ATOM 0 HB2 ARG B 76 4.250 16.466 -6.295 1.00 24.15 H new ATOM 0 HB3 ARG B 76 5.999 16.358 -6.279 1.00 24.15 H new ATOM 0 HG2 ARG B 76 4.114 14.137 -5.414 1.00 71.12 H new ATOM 0 HG3 ARG B 76 4.884 14.245 -6.985 1.00 71.12 H new ATOM 0 HD2 ARG B 76 6.477 14.217 -4.415 1.00 32.20 H new ATOM 0 HD3 ARG B 76 5.987 12.742 -5.223 1.00 32.20 H new ATOM 0 HE ARG B 76 7.146 13.837 -7.285 1.00 64.13 H new ATOM 0 HH11 ARG B 76 8.173 14.275 -3.927 1.00 64.25 H new ATOM 0 HH12 ARG B 76 9.875 14.454 -4.366 1.00 64.25 H new ATOM 0 HH21 ARG B 76 9.271 14.049 -7.840 1.00 51.23 H new ATOM 0 HH22 ARG B 76 10.494 14.325 -6.595 1.00 51.23 H new ATOM 1307 N GLU B 77 4.022 18.651 -4.294 1.00 3.43 N ATOM 1308 CA GLU B 77 3.934 20.088 -4.089 1.00 32.25 C ATOM 1309 C GLU B 77 4.201 20.508 -2.615 1.00 23.22 C ATOM 1310 O GLU B 77 4.845 21.528 -2.366 1.00 24.24 O ATOM 1311 CB GLU B 77 2.602 20.628 -4.606 1.00 73.21 C ATOM 1312 CG GLU B 77 2.420 20.449 -6.112 1.00 31.54 C ATOM 1313 CD GLU B 77 3.406 21.263 -6.940 1.00 75.21 C ATOM 1314 OE1 GLU B 77 4.589 20.871 -7.080 1.00 73.43 O ATOM 1315 OE2 GLU B 77 3.007 22.314 -7.481 1.00 52.20 O ATOM 0 H GLU B 77 3.124 18.195 -4.459 1.00 3.43 H new ATOM 0 HA GLU B 77 4.733 20.544 -4.674 1.00 32.25 H new ATOM 0 HB2 GLU B 77 1.787 20.124 -4.086 1.00 73.21 H new ATOM 0 HB3 GLU B 77 2.528 21.688 -4.362 1.00 73.21 H new ATOM 0 HG2 GLU B 77 2.531 19.394 -6.361 1.00 31.54 H new ATOM 0 HG3 GLU B 77 1.404 20.735 -6.385 1.00 31.54 H new ATOM 1322 N LYS B 78 3.690 19.705 -1.649 1.00 12.34 N ATOM 1323 CA LYS B 78 3.799 20.010 -0.181 1.00 0.30 C ATOM 1324 C LYS B 78 5.252 20.174 0.270 1.00 41.03 C ATOM 1325 O LYS B 78 5.574 21.029 1.117 1.00 70.21 O ATOM 1326 CB LYS B 78 3.157 18.878 0.651 1.00 31.15 C ATOM 1327 CG LYS B 78 1.668 18.592 0.402 1.00 63.14 C ATOM 1328 CD LYS B 78 0.715 19.648 0.978 1.00 63.03 C ATOM 1329 CE LYS B 78 0.794 20.998 0.278 1.00 13.30 C ATOM 1330 NZ LYS B 78 -0.173 21.947 0.844 1.00 22.43 N ATOM 0 H LYS B 78 3.195 18.836 -1.851 1.00 12.34 H new ATOM 0 HA LYS B 78 3.275 20.952 -0.018 1.00 0.30 H new ATOM 0 HB2 LYS B 78 3.715 17.961 0.463 1.00 31.15 H new ATOM 0 HB3 LYS B 78 3.285 19.118 1.706 1.00 31.15 H new ATOM 0 HG2 LYS B 78 1.500 18.516 -0.672 1.00 63.14 H new ATOM 0 HG3 LYS B 78 1.420 17.622 0.833 1.00 63.14 H new ATOM 0 HD2 LYS B 78 -0.307 19.275 0.912 1.00 63.03 H new ATOM 0 HD3 LYS B 78 0.937 19.785 2.036 1.00 63.03 H new ATOM 0 HE2 LYS B 78 1.802 21.402 0.373 1.00 13.30 H new ATOM 0 HE3 LYS B 78 0.601 20.870 -0.787 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 -0.097 22.858 0.348 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -1.136 21.571 0.731 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 0.028 22.086 1.855 1.00 22.43 H new ATOM 1344 N LYS B 79 6.094 19.373 -0.272 1.00 11.23 N ATOM 1345 CA LYS B 79 7.515 19.471 -0.108 1.00 71.54 C ATOM 1346 C LYS B 79 8.039 19.171 -1.452 1.00 62.41 C ATOM 1347 O LYS B 79 7.569 18.218 -2.066 1.00 22.21 O ATOM 1348 CB LYS B 79 8.064 18.504 0.960 1.00 24.24 C ATOM 1349 CG LYS B 79 7.635 17.046 0.829 1.00 24.13 C ATOM 1350 CD LYS B 79 8.422 16.169 1.786 1.00 4.22 C ATOM 1351 CE LYS B 79 8.274 16.616 3.234 1.00 44.25 C ATOM 1352 NZ LYS B 79 9.159 15.850 4.133 1.00 54.41 N ATOM 0 H LYS B 79 5.810 18.596 -0.868 1.00 11.23 H new ATOM 0 HA LYS B 79 7.820 20.452 0.256 1.00 71.54 H new ATOM 0 HB2 LYS B 79 9.153 18.545 0.933 1.00 24.24 H new ATOM 0 HB3 LYS B 79 7.756 18.866 1.941 1.00 24.24 H new ATOM 0 HG2 LYS B 79 6.569 16.955 1.037 1.00 24.13 H new ATOM 0 HG3 LYS B 79 7.790 16.706 -0.195 1.00 24.13 H new ATOM 0 HD2 LYS B 79 8.085 15.137 1.690 1.00 4.22 H new ATOM 0 HD3 LYS B 79 9.476 16.187 1.508 1.00 4.22 H new ATOM 0 HE2 LYS B 79 8.506 17.678 3.313 1.00 44.25 H new ATOM 0 HE3 LYS B 79 7.238 16.492 3.550 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 9.032 16.181 5.111 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 8.921 14.839 4.076 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 10.149 15.989 3.847 1.00 54.41 H new ATOM 1366 N LYS B 80 9.046 19.849 -1.917 1.00 71.43 N ATOM 1367 CA LYS B 80 9.247 19.794 -3.319 1.00 32.42 C ATOM 1368 C LYS B 80 10.589 19.243 -3.657 1.00 13.24 C ATOM 1369 O LYS B 80 11.619 19.923 -3.654 1.00 5.54 O ATOM 1370 CB LYS B 80 8.909 21.100 -4.053 1.00 73.24 C ATOM 1371 CG LYS B 80 9.687 22.338 -3.641 1.00 40.21 C ATOM 1372 CD LYS B 80 9.374 23.491 -4.581 1.00 43.22 C ATOM 1373 CE LYS B 80 9.707 23.106 -6.022 1.00 70.42 C ATOM 1374 NZ LYS B 80 9.436 24.184 -6.992 1.00 23.43 N ATOM 0 H LYS B 80 9.702 20.413 -1.377 1.00 71.43 H new ATOM 0 HA LYS B 80 8.513 19.087 -3.706 1.00 32.42 H new ATOM 0 HB2 LYS B 80 9.065 20.940 -5.120 1.00 73.24 H new ATOM 0 HB3 LYS B 80 7.847 21.304 -3.913 1.00 73.24 H new ATOM 0 HG2 LYS B 80 9.431 22.614 -2.618 1.00 40.21 H new ATOM 0 HG3 LYS B 80 10.756 22.127 -3.656 1.00 40.21 H new ATOM 0 HD2 LYS B 80 8.320 23.757 -4.503 1.00 43.22 H new ATOM 0 HD3 LYS B 80 9.947 24.372 -4.291 1.00 43.22 H new ATOM 0 HE2 LYS B 80 10.759 22.828 -6.083 1.00 70.42 H new ATOM 0 HE3 LYS B 80 9.128 22.224 -6.298 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 9.682 23.860 -7.949 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 8.427 24.434 -6.960 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 10.007 25.019 -6.751 1.00 23.43 H new ATOM 1388 N ILE B 81 10.556 18.005 -3.926 1.00 13.13 N ATOM 1389 CA ILE B 81 11.698 17.236 -4.240 1.00 43.54 C ATOM 1390 C ILE B 81 11.527 16.857 -5.691 1.00 51.30 C ATOM 1391 O ILE B 81 10.397 16.720 -6.140 1.00 65.41 O ATOM 1392 CB ILE B 81 11.739 15.969 -3.324 1.00 70.43 C ATOM 1393 CG1 ILE B 81 11.811 16.390 -1.840 1.00 24.32 C ATOM 1394 CG2 ILE B 81 12.900 15.062 -3.676 1.00 62.43 C ATOM 1395 CD1 ILE B 81 11.816 15.233 -0.856 1.00 1.24 C ATOM 0 H ILE B 81 9.691 17.465 -3.936 1.00 13.13 H new ATOM 0 HA ILE B 81 12.632 17.775 -4.080 1.00 43.54 H new ATOM 0 HB ILE B 81 10.821 15.405 -3.491 1.00 70.43 H new ATOM 0 HG12 ILE B 81 12.712 16.984 -1.687 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.962 17.036 -1.617 1.00 24.32 H new ATOM 0 HG21 ILE B 81 12.895 14.193 -3.018 1.00 62.43 H new ATOM 0 HG22 ILE B 81 12.805 14.734 -4.711 1.00 62.43 H new ATOM 0 HG23 ILE B 81 13.837 15.605 -3.552 1.00 62.43 H new ATOM 0 HD11 ILE B 81 11.868 15.621 0.161 1.00 1.24 H new ATOM 0 HD12 ILE B 81 10.903 14.650 -0.976 1.00 1.24 H new ATOM 0 HD13 ILE B 81 12.680 14.597 -1.047 1.00 1.24 H new ATOM 1407 N SER B 82 12.582 16.748 -6.428 1.00 2.42 N ATOM 1408 CA SER B 82 12.479 16.404 -7.819 1.00 41.31 C ATOM 1409 C SER B 82 12.365 14.878 -7.993 1.00 13.21 C ATOM 1410 O SER B 82 12.638 14.110 -7.044 1.00 35.13 O ATOM 1411 CB SER B 82 13.673 16.971 -8.544 1.00 43.33 C ATOM 1412 OG SER B 82 13.747 18.374 -8.330 1.00 71.34 O ATOM 0 H SER B 82 13.535 16.892 -6.093 1.00 2.42 H new ATOM 0 HA SER B 82 11.574 16.834 -8.248 1.00 41.31 H new ATOM 0 HB2 SER B 82 14.586 16.492 -8.190 1.00 43.33 H new ATOM 0 HB3 SER B 82 13.595 16.761 -9.611 1.00 43.33 H new ATOM 0 HG SER B 82 14.526 18.736 -8.802 1.00 71.34 H new ATOM 1418 N GLN B 83 11.901 14.439 -9.155 1.00 45.12 N ATOM 1419 CA GLN B 83 11.713 13.017 -9.431 1.00 65.34 C ATOM 1420 C GLN B 83 13.016 12.238 -9.415 1.00 13.44 C ATOM 1421 O GLN B 83 13.039 11.104 -8.951 1.00 12.11 O ATOM 1422 CB GLN B 83 10.937 12.771 -10.732 1.00 30.22 C ATOM 1423 CG GLN B 83 11.556 13.392 -11.961 1.00 4.43 C ATOM 1424 CD GLN B 83 10.766 13.112 -13.207 1.00 53.31 C ATOM 1425 OE1 GLN B 83 9.856 13.858 -13.561 1.00 72.33 O ATOM 1426 NE2 GLN B 83 11.107 12.060 -13.889 1.00 45.23 N ATOM 0 H GLN B 83 11.645 15.052 -9.929 1.00 45.12 H new ATOM 0 HA GLN B 83 11.104 12.637 -8.611 1.00 65.34 H new ATOM 0 HB2 GLN B 83 10.849 11.696 -10.889 1.00 30.22 H new ATOM 0 HB3 GLN B 83 9.925 13.160 -10.615 1.00 30.22 H new ATOM 0 HG2 GLN B 83 11.635 14.470 -11.819 1.00 4.43 H new ATOM 0 HG3 GLN B 83 12.570 13.012 -12.085 1.00 4.43 H new ATOM 0 HE21 GLN B 83 11.868 11.465 -13.562 1.00 45.23 H new ATOM 0 HE22 GLN B 83 10.613 11.829 -14.751 1.00 45.23 H new ATOM 1435 N SER B 84 14.104 12.849 -9.889 1.00 55.44 N ATOM 1436 CA SER B 84 15.405 12.190 -9.896 1.00 52.11 C ATOM 1437 C SER B 84 15.838 11.820 -8.479 1.00 62.21 C ATOM 1438 O SER B 84 16.420 10.760 -8.259 1.00 10.02 O ATOM 1439 CB SER B 84 16.444 13.086 -10.556 1.00 45.03 C ATOM 1440 OG SER B 84 16.048 13.413 -11.879 1.00 21.34 O ATOM 0 H SER B 84 14.107 13.795 -10.271 1.00 55.44 H new ATOM 0 HA SER B 84 15.320 11.269 -10.472 1.00 52.11 H new ATOM 0 HB2 SER B 84 16.571 13.998 -9.972 1.00 45.03 H new ATOM 0 HB3 SER B 84 17.410 12.581 -10.573 1.00 45.03 H new ATOM 0 HG SER B 84 16.725 13.991 -12.290 1.00 21.34 H new ATOM 1446 N GLU B 85 15.484 12.670 -7.523 1.00 50.43 N ATOM 1447 CA GLU B 85 15.827 12.439 -6.140 1.00 3.23 C ATOM 1448 C GLU B 85 15.089 11.225 -5.603 1.00 41.23 C ATOM 1449 O GLU B 85 15.686 10.382 -4.947 1.00 11.14 O ATOM 1450 CB GLU B 85 15.520 13.660 -5.289 1.00 33.34 C ATOM 1451 CG GLU B 85 16.205 14.930 -5.749 1.00 42.23 C ATOM 1452 CD GLU B 85 17.701 14.793 -5.802 1.00 44.10 C ATOM 1453 OE1 GLU B 85 18.373 14.988 -4.771 1.00 64.25 O ATOM 1454 OE2 GLU B 85 18.241 14.503 -6.880 1.00 70.32 O ATOM 0 H GLU B 85 14.957 13.527 -7.689 1.00 50.43 H new ATOM 0 HA GLU B 85 16.899 12.249 -6.088 1.00 3.23 H new ATOM 0 HB2 GLU B 85 14.442 13.824 -5.285 1.00 33.34 H new ATOM 0 HB3 GLU B 85 15.815 13.454 -4.260 1.00 33.34 H new ATOM 0 HG2 GLU B 85 15.833 15.201 -6.737 1.00 42.23 H new ATOM 0 HG3 GLU B 85 15.942 15.745 -5.075 1.00 42.23 H new ATOM 1461 N LEU B 86 13.791 11.112 -5.908 1.00 73.22 N ATOM 1462 CA LEU B 86 13.041 9.948 -5.456 1.00 10.22 C ATOM 1463 C LEU B 86 13.506 8.709 -6.186 1.00 65.33 C ATOM 1464 O LEU B 86 13.576 7.650 -5.605 1.00 30.50 O ATOM 1465 CB LEU B 86 11.512 10.091 -5.606 1.00 32.54 C ATOM 1466 CG LEU B 86 10.787 11.148 -4.753 1.00 41.02 C ATOM 1467 CD1 LEU B 86 9.291 10.909 -4.816 1.00 52.52 C ATOM 1468 CD2 LEU B 86 11.273 11.130 -3.308 1.00 23.21 C ATOM 0 H LEU B 86 13.257 11.792 -6.449 1.00 73.22 H new ATOM 0 HA LEU B 86 13.243 9.862 -4.388 1.00 10.22 H new ATOM 0 HB2 LEU B 86 11.300 10.308 -6.653 1.00 32.54 H new ATOM 0 HB3 LEU B 86 11.065 9.122 -5.384 1.00 32.54 H new ATOM 0 HG LEU B 86 11.014 12.134 -5.159 1.00 41.02 H new ATOM 0 HD11 LEU B 86 8.777 11.657 -4.212 1.00 52.52 H new ATOM 0 HD12 LEU B 86 8.954 10.983 -5.850 1.00 52.52 H new ATOM 0 HD13 LEU B 86 9.065 9.915 -4.431 1.00 52.52 H new ATOM 0 HD21 LEU B 86 10.740 11.889 -2.735 1.00 23.21 H new ATOM 0 HD22 LEU B 86 11.085 10.148 -2.873 1.00 23.21 H new ATOM 0 HD23 LEU B 86 12.342 11.340 -3.281 1.00 23.21 H new ATOM 1480 N ALA B 87 13.844 8.864 -7.462 1.00 4.44 N ATOM 1481 CA ALA B 87 14.359 7.769 -8.275 1.00 14.42 C ATOM 1482 C ALA B 87 15.617 7.199 -7.651 1.00 35.03 C ATOM 1483 O ALA B 87 15.780 5.982 -7.568 1.00 72.55 O ATOM 1484 CB ALA B 87 14.647 8.245 -9.683 1.00 1.41 C ATOM 0 H ALA B 87 13.769 9.751 -7.960 1.00 4.44 H new ATOM 0 HA ALA B 87 13.602 6.986 -8.320 1.00 14.42 H new ATOM 0 HB1 ALA B 87 15.031 7.415 -10.276 1.00 1.41 H new ATOM 0 HB2 ALA B 87 13.729 8.620 -10.135 1.00 1.41 H new ATOM 0 HB3 ALA B 87 15.389 9.043 -9.653 1.00 1.41 H new ATOM 1490 N ALA B 88 16.489 8.083 -7.198 1.00 4.14 N ATOM 1491 CA ALA B 88 17.705 7.700 -6.513 1.00 53.23 C ATOM 1492 C ALA B 88 17.382 6.943 -5.229 1.00 34.22 C ATOM 1493 O ALA B 88 17.953 5.880 -4.962 1.00 30.41 O ATOM 1494 CB ALA B 88 18.525 8.936 -6.193 1.00 24.13 C ATOM 0 H ALA B 88 16.370 9.091 -7.297 1.00 4.14 H new ATOM 0 HA ALA B 88 18.281 7.044 -7.165 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.439 8.643 -5.677 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.780 9.453 -7.118 1.00 24.13 H new ATOM 0 HB3 ALA B 88 17.945 9.602 -5.553 1.00 24.13 H new ATOM 1500 N LEU B 89 16.416 7.458 -4.489 1.00 71.12 N ATOM 1501 CA LEU B 89 16.017 6.899 -3.203 1.00 42.20 C ATOM 1502 C LEU B 89 15.321 5.545 -3.363 1.00 63.22 C ATOM 1503 O LEU B 89 15.508 4.622 -2.551 1.00 30.24 O ATOM 1504 CB LEU B 89 15.110 7.885 -2.461 1.00 60.54 C ATOM 1505 CG LEU B 89 15.755 9.215 -2.057 1.00 63.34 C ATOM 1506 CD1 LEU B 89 14.721 10.142 -1.442 1.00 60.14 C ATOM 1507 CD2 LEU B 89 16.895 8.979 -1.077 1.00 50.33 C ATOM 0 H LEU B 89 15.881 8.282 -4.763 1.00 71.12 H new ATOM 0 HA LEU B 89 16.920 6.732 -2.616 1.00 42.20 H new ATOM 0 HB2 LEU B 89 14.247 8.099 -3.091 1.00 60.54 H new ATOM 0 HB3 LEU B 89 14.735 7.397 -1.561 1.00 60.54 H new ATOM 0 HG LEU B 89 16.158 9.686 -2.954 1.00 63.34 H new ATOM 0 HD11 LEU B 89 15.196 11.082 -1.161 1.00 60.14 H new ATOM 0 HD12 LEU B 89 13.931 10.338 -2.167 1.00 60.14 H new ATOM 0 HD13 LEU B 89 14.293 9.673 -0.556 1.00 60.14 H new ATOM 0 HD21 LEU B 89 17.341 9.934 -0.801 1.00 50.33 H new ATOM 0 HD22 LEU B 89 16.511 8.487 -0.184 1.00 50.33 H new ATOM 0 HD23 LEU B 89 17.651 8.347 -1.543 1.00 50.33 H new ATOM 1519 N LEU B 90 14.533 5.408 -4.415 1.00 61.11 N ATOM 1520 CA LEU B 90 13.837 4.164 -4.686 1.00 33.50 C ATOM 1521 C LEU B 90 14.745 3.207 -5.425 1.00 13.04 C ATOM 1522 O LEU B 90 14.374 2.058 -5.658 1.00 54.12 O ATOM 1523 CB LEU B 90 12.611 4.416 -5.572 1.00 1.13 C ATOM 1524 CG LEU B 90 11.573 5.421 -5.093 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.433 5.497 -6.085 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.061 5.065 -3.725 1.00 43.42 C ATOM 0 H LEU B 90 14.359 6.146 -5.097 1.00 61.11 H new ATOM 0 HA LEU B 90 13.532 3.741 -3.729 1.00 33.50 H new ATOM 0 HB2 LEU B 90 12.967 4.745 -6.548 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.106 3.462 -5.722 1.00 1.13 H new ATOM 0 HG LEU B 90 12.049 6.399 -5.023 1.00 1.25 H new ATOM 0 HD11 LEU B 90 9.694 6.218 -5.736 1.00 24.05 H new ATOM 0 HD12 LEU B 90 10.816 5.811 -7.056 1.00 24.05 H new ATOM 0 HD13 LEU B 90 9.967 4.516 -6.179 1.00 24.05 H new ATOM 0 HD21 LEU B 90 10.321 5.801 -3.410 1.00 43.42 H new ATOM 0 HD22 LEU B 90 10.600 4.078 -3.755 1.00 43.42 H new ATOM 0 HD23 LEU B 90 11.890 5.058 -3.017 1.00 43.42 H new ATOM 1538 N GLU B 91 15.935 3.691 -5.785 1.00 45.33 N ATOM 1539 CA GLU B 91 16.945 2.917 -6.505 1.00 22.43 C ATOM 1540 C GLU B 91 16.418 2.445 -7.863 1.00 63.31 C ATOM 1541 O GLU B 91 16.756 1.345 -8.335 1.00 72.53 O ATOM 1542 CB GLU B 91 17.410 1.723 -5.669 1.00 34.10 C ATOM 1543 CG GLU B 91 18.033 2.094 -4.339 1.00 74.02 C ATOM 1544 CD GLU B 91 18.509 0.883 -3.606 1.00 63.23 C ATOM 1545 OE1 GLU B 91 19.606 0.389 -3.921 1.00 73.13 O ATOM 1546 OE2 GLU B 91 17.793 0.373 -2.733 1.00 54.24 O ATOM 0 H GLU B 91 16.228 4.647 -5.581 1.00 45.33 H new ATOM 0 HA GLU B 91 17.799 3.570 -6.683 1.00 22.43 H new ATOM 0 HB2 GLU B 91 16.557 1.069 -5.487 1.00 34.10 H new ATOM 0 HB3 GLU B 91 18.134 1.150 -6.248 1.00 34.10 H new ATOM 0 HG2 GLU B 91 18.869 2.774 -4.504 1.00 74.02 H new ATOM 0 HG3 GLU B 91 17.304 2.627 -3.729 1.00 74.02 H new ATOM 1553 N VAL B 92 15.652 3.291 -8.516 1.00 33.53 N ATOM 1554 CA VAL B 92 15.049 2.962 -9.795 1.00 2.41 C ATOM 1555 C VAL B 92 15.236 4.111 -10.758 1.00 32.32 C ATOM 1556 O VAL B 92 15.839 5.130 -10.409 1.00 23.34 O ATOM 1557 CB VAL B 92 13.526 2.616 -9.693 1.00 63.23 C ATOM 1558 CG1 VAL B 92 13.294 1.374 -8.852 1.00 12.32 C ATOM 1559 CG2 VAL B 92 12.724 3.794 -9.150 1.00 4.10 C ATOM 0 H VAL B 92 15.428 4.227 -8.178 1.00 33.53 H new ATOM 0 HA VAL B 92 15.556 2.067 -10.156 1.00 2.41 H new ATOM 0 HB VAL B 92 13.174 2.407 -10.703 1.00 63.23 H new ATOM 0 HG11 VAL B 92 12.226 1.163 -8.802 1.00 12.32 H new ATOM 0 HG12 VAL B 92 13.811 0.527 -9.303 1.00 12.32 H new ATOM 0 HG13 VAL B 92 13.679 1.539 -7.846 1.00 12.32 H new ATOM 0 HG21 VAL B 92 11.670 3.521 -9.092 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.087 4.054 -8.156 1.00 4.10 H new ATOM 0 HG23 VAL B 92 12.840 4.650 -9.814 1.00 4.10 H new ATOM 1569 N SER B 93 14.729 3.953 -11.943 1.00 35.42 N ATOM 1570 CA SER B 93 14.842 4.960 -12.948 1.00 0.14 C ATOM 1571 C SER B 93 13.840 6.102 -12.714 1.00 54.44 C ATOM 1572 O SER B 93 12.763 5.907 -12.115 1.00 24.14 O ATOM 1573 CB SER B 93 14.635 4.315 -14.307 1.00 23.34 C ATOM 1574 OG SER B 93 15.508 3.203 -14.440 1.00 1.11 O ATOM 0 H SER B 93 14.224 3.118 -12.239 1.00 35.42 H new ATOM 0 HA SER B 93 15.836 5.404 -12.904 1.00 0.14 H new ATOM 0 HB2 SER B 93 13.599 3.993 -14.415 1.00 23.34 H new ATOM 0 HB3 SER B 93 14.828 5.039 -15.099 1.00 23.34 H new ATOM 0 HG SER B 93 15.374 2.785 -15.316 1.00 1.11 H new ATOM 1580 N ARG B 94 14.210 7.280 -13.167 1.00 33.45 N ATOM 1581 CA ARG B 94 13.381 8.477 -13.087 1.00 2.32 C ATOM 1582 C ARG B 94 12.065 8.240 -13.821 1.00 72.10 C ATOM 1583 O ARG B 94 11.001 8.647 -13.364 1.00 61.25 O ATOM 1584 CB ARG B 94 14.132 9.651 -13.706 1.00 73.14 C ATOM 1585 CG ARG B 94 15.491 9.896 -13.070 1.00 54.32 C ATOM 1586 CD ARG B 94 16.275 10.947 -13.819 1.00 53.33 C ATOM 1587 NE ARG B 94 16.525 10.574 -15.218 1.00 21.14 N ATOM 1588 CZ ARG B 94 16.391 11.408 -16.253 1.00 13.43 C ATOM 1589 NH1 ARG B 94 15.889 12.620 -16.067 1.00 20.31 N ATOM 1590 NH2 ARG B 94 16.722 11.017 -17.472 1.00 44.34 N ATOM 0 H ARG B 94 15.113 7.442 -13.612 1.00 33.45 H new ATOM 0 HA ARG B 94 13.162 8.705 -12.044 1.00 2.32 H new ATOM 0 HB2 ARG B 94 14.265 9.467 -14.772 1.00 73.14 H new ATOM 0 HB3 ARG B 94 13.526 10.552 -13.611 1.00 73.14 H new ATOM 0 HG2 ARG B 94 15.357 10.210 -12.035 1.00 54.32 H new ATOM 0 HG3 ARG B 94 16.057 8.965 -13.050 1.00 54.32 H new ATOM 0 HD2 ARG B 94 15.730 11.891 -13.790 1.00 53.33 H new ATOM 0 HD3 ARG B 94 17.227 11.113 -13.315 1.00 53.33 H new ATOM 0 HE ARG B 94 16.820 9.617 -15.411 1.00 21.14 H new ATOM 0 HH11 ARG B 94 15.605 12.917 -15.133 1.00 20.31 H new ATOM 0 HH12 ARG B 94 15.787 13.257 -16.857 1.00 20.31 H new ATOM 0 HH21 ARG B 94 17.081 10.075 -17.625 1.00 44.34 H new ATOM 0 HH22 ARG B 94 16.618 11.658 -18.259 1.00 44.34 H new ATOM 1604 N GLN B 95 12.162 7.542 -14.934 1.00 63.51 N ATOM 1605 CA GLN B 95 11.013 7.139 -15.731 1.00 73.10 C ATOM 1606 C GLN B 95 10.079 6.215 -14.916 1.00 21.43 C ATOM 1607 O GLN B 95 8.859 6.234 -15.091 1.00 63.01 O ATOM 1608 CB GLN B 95 11.508 6.450 -17.021 1.00 14.11 C ATOM 1609 CG GLN B 95 10.427 5.836 -17.908 1.00 34.33 C ATOM 1610 CD GLN B 95 9.359 6.813 -18.359 1.00 13.43 C ATOM 1611 OE1 GLN B 95 9.603 8.019 -18.530 1.00 35.21 O ATOM 1612 NE2 GLN B 95 8.165 6.312 -18.540 1.00 24.53 N ATOM 0 H GLN B 95 13.054 7.232 -15.319 1.00 63.51 H new ATOM 0 HA GLN B 95 10.432 8.019 -16.006 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.062 7.181 -17.610 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.212 5.665 -16.743 1.00 14.11 H new ATOM 0 HG2 GLN B 95 10.900 5.401 -18.789 1.00 34.33 H new ATOM 0 HG3 GLN B 95 9.950 5.019 -17.366 1.00 34.33 H new ATOM 0 HE21 GLN B 95 8.002 5.316 -18.390 1.00 24.53 H new ATOM 0 HE22 GLN B 95 7.397 6.917 -18.831 1.00 24.53 H new ATOM 1621 N THR B 96 10.654 5.435 -14.023 1.00 21.22 N ATOM 1622 CA THR B 96 9.893 4.534 -13.196 1.00 0.23 C ATOM 1623 C THR B 96 9.102 5.306 -12.122 1.00 24.14 C ATOM 1624 O THR B 96 7.889 5.139 -12.007 1.00 5.35 O ATOM 1625 CB THR B 96 10.830 3.502 -12.543 1.00 71.41 C ATOM 1626 OG1 THR B 96 11.603 2.865 -13.578 1.00 40.00 O ATOM 1627 CG2 THR B 96 10.043 2.451 -11.780 1.00 50.43 C ATOM 0 H THR B 96 11.660 5.411 -13.854 1.00 21.22 H new ATOM 0 HA THR B 96 9.175 4.009 -13.826 1.00 0.23 H new ATOM 0 HB THR B 96 11.482 4.014 -11.836 1.00 71.41 H new ATOM 0 HG1 THR B 96 12.206 2.205 -13.177 1.00 40.00 H new ATOM 0 HG21 THR B 96 10.732 1.736 -11.330 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.457 2.932 -10.997 1.00 50.43 H new ATOM 0 HG23 THR B 96 9.374 1.929 -12.465 1.00 50.43 H new ATOM 1635 N ILE B 97 9.787 6.176 -11.370 1.00 3.24 N ATOM 1636 CA ILE B 97 9.126 6.968 -10.320 1.00 15.23 C ATOM 1637 C ILE B 97 8.094 7.926 -10.936 1.00 54.43 C ATOM 1638 O ILE B 97 6.986 8.066 -10.421 1.00 12.25 O ATOM 1639 CB ILE B 97 10.184 7.695 -9.382 1.00 61.33 C ATOM 1640 CG1 ILE B 97 9.550 8.433 -8.157 1.00 13.20 C ATOM 1641 CG2 ILE B 97 11.089 8.633 -10.160 1.00 12.10 C ATOM 1642 CD1 ILE B 97 8.884 9.777 -8.437 1.00 15.23 C ATOM 0 H ILE B 97 10.788 6.350 -11.465 1.00 3.24 H new ATOM 0 HA ILE B 97 8.574 6.292 -9.667 1.00 15.23 H new ATOM 0 HB ILE B 97 10.791 6.887 -8.974 1.00 61.33 H new ATOM 0 HG12 ILE B 97 8.808 7.772 -7.708 1.00 13.20 H new ATOM 0 HG13 ILE B 97 10.330 8.588 -7.412 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.795 9.107 -9.478 1.00 12.10 H new ATOM 0 HG22 ILE B 97 11.637 8.068 -10.914 1.00 12.10 H new ATOM 0 HG23 ILE B 97 10.486 9.399 -10.648 1.00 12.10 H new ATOM 0 HD11 ILE B 97 8.484 10.185 -7.509 1.00 15.23 H new ATOM 0 HD12 ILE B 97 9.619 10.468 -8.851 1.00 15.23 H new ATOM 0 HD13 ILE B 97 8.073 9.639 -9.152 1.00 15.23 H new ATOM 1654 N ASN B 98 8.452 8.539 -12.055 1.00 30.33 N ATOM 1655 CA ASN B 98 7.541 9.422 -12.788 1.00 60.42 C ATOM 1656 C ASN B 98 6.316 8.642 -13.250 1.00 3.24 C ATOM 1657 O ASN B 98 5.187 9.140 -13.224 1.00 13.11 O ATOM 1658 CB ASN B 98 8.250 10.079 -13.971 1.00 64.50 C ATOM 1659 CG ASN B 98 7.376 11.073 -14.699 1.00 24.43 C ATOM 1660 OD1 ASN B 98 6.719 10.748 -15.679 1.00 33.15 O ATOM 1661 ND2 ASN B 98 7.356 12.274 -14.216 1.00 74.02 N ATOM 0 H ASN B 98 9.373 8.443 -12.482 1.00 30.33 H new ATOM 0 HA ASN B 98 7.214 10.217 -12.118 1.00 60.42 H new ATOM 0 HB2 ASN B 98 9.148 10.584 -13.615 1.00 64.50 H new ATOM 0 HB3 ASN B 98 8.574 9.307 -14.669 1.00 64.50 H new ATOM 0 HD21 ASN B 98 6.777 12.990 -14.654 1.00 74.02 H new ATOM 0 HD22 ASN B 98 7.919 12.504 -13.397 1.00 74.02 H new ATOM 1668 N GLY B 99 6.556 7.401 -13.638 1.00 32.15 N ATOM 1669 CA GLY B 99 5.492 6.511 -14.030 1.00 62.40 C ATOM 1670 C GLY B 99 4.531 6.268 -12.876 1.00 51.22 C ATOM 1671 O GLY B 99 3.328 6.102 -13.083 1.00 73.51 O ATOM 0 H GLY B 99 7.488 6.990 -13.688 1.00 32.15 H new ATOM 0 HA2 GLY B 99 4.951 6.936 -14.875 1.00 62.40 H new ATOM 0 HA3 GLY B 99 5.911 5.562 -14.364 1.00 62.40 H new ATOM 1675 N ILE B 100 5.060 6.244 -11.661 1.00 55.13 N ATOM 1676 CA ILE B 100 4.261 6.092 -10.461 1.00 14.23 C ATOM 1677 C ILE B 100 3.456 7.368 -10.208 1.00 12.31 C ATOM 1678 O ILE B 100 2.253 7.294 -9.939 1.00 62.21 O ATOM 1679 CB ILE B 100 5.148 5.763 -9.209 1.00 13.40 C ATOM 1680 CG1 ILE B 100 5.907 4.434 -9.399 1.00 21.05 C ATOM 1681 CG2 ILE B 100 4.320 5.728 -7.920 1.00 62.42 C ATOM 1682 CD1 ILE B 100 5.013 3.215 -9.568 1.00 51.13 C ATOM 0 H ILE B 100 6.061 6.330 -11.483 1.00 55.13 H new ATOM 0 HA ILE B 100 3.582 5.253 -10.617 1.00 14.23 H new ATOM 0 HB ILE B 100 5.878 6.567 -9.114 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.551 4.520 -10.274 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.557 4.275 -8.539 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.970 5.497 -7.076 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.852 6.699 -7.762 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.549 4.963 -8.004 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.630 2.326 -9.696 1.00 51.13 H new ATOM 0 HD12 ILE B 100 4.386 3.098 -8.684 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.381 3.347 -10.446 1.00 51.13 H new ATOM 1694 N GLU B 101 4.112 8.542 -10.332 1.00 42.35 N ATOM 1695 CA GLU B 101 3.433 9.845 -10.136 1.00 14.13 C ATOM 1696 C GLU B 101 2.271 10.006 -11.105 1.00 62.12 C ATOM 1697 O GLU B 101 1.225 10.543 -10.752 1.00 33.44 O ATOM 1698 CB GLU B 101 4.383 11.029 -10.380 1.00 72.22 C ATOM 1699 CG GLU B 101 5.646 11.068 -9.546 1.00 22.14 C ATOM 1700 CD GLU B 101 6.417 12.359 -9.760 1.00 2.35 C ATOM 1701 OE1 GLU B 101 6.810 12.669 -10.917 1.00 14.03 O ATOM 1702 OE2 GLU B 101 6.600 13.135 -8.786 1.00 12.42 O ATOM 0 H GLU B 101 5.102 8.616 -10.565 1.00 42.35 H new ATOM 0 HA GLU B 101 3.085 9.848 -9.103 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.669 11.025 -11.432 1.00 72.22 H new ATOM 0 HB3 GLU B 101 3.830 11.952 -10.204 1.00 72.22 H new ATOM 0 HG2 GLU B 101 5.390 10.967 -8.491 1.00 22.14 H new ATOM 0 HG3 GLU B 101 6.279 10.219 -9.803 1.00 22.14 H new ATOM 1709 N LYS B 102 2.441 9.509 -12.304 1.00 72.42 N ATOM 1710 CA LYS B 102 1.411 9.611 -13.315 1.00 3.42 C ATOM 1711 C LYS B 102 0.509 8.388 -13.334 1.00 64.33 C ATOM 1712 O LYS B 102 -0.289 8.227 -14.250 1.00 74.05 O ATOM 1713 CB LYS B 102 2.027 9.853 -14.687 1.00 71.34 C ATOM 1714 CG LYS B 102 2.783 11.162 -14.771 1.00 73.40 C ATOM 1715 CD LYS B 102 3.317 11.397 -16.155 1.00 3.32 C ATOM 1716 CE LYS B 102 4.158 12.656 -16.197 1.00 11.20 C ATOM 1717 NZ LYS B 102 4.688 12.936 -17.544 1.00 30.21 N ATOM 0 H LYS B 102 3.287 9.027 -12.608 1.00 72.42 H new ATOM 0 HA LYS B 102 0.786 10.467 -13.059 1.00 3.42 H new ATOM 0 HB2 LYS B 102 2.704 9.033 -14.926 1.00 71.34 H new ATOM 0 HB3 LYS B 102 1.239 9.845 -15.440 1.00 71.34 H new ATOM 0 HG2 LYS B 102 2.124 11.983 -14.489 1.00 73.40 H new ATOM 0 HG3 LYS B 102 3.607 11.155 -14.058 1.00 73.40 H new ATOM 0 HD2 LYS B 102 3.916 10.542 -16.469 1.00 3.32 H new ATOM 0 HD3 LYS B 102 2.490 11.482 -16.860 1.00 3.32 H new ATOM 0 HE2 LYS B 102 3.557 13.502 -15.863 1.00 11.20 H new ATOM 0 HE3 LYS B 102 4.988 12.559 -15.497 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 5.256 13.807 -17.519 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 5.284 12.142 -17.854 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 3.898 13.057 -18.210 1.00 30.21 H new ATOM 1731 N ASN B 103 0.643 7.536 -12.287 1.00 21.34 N ATOM 1732 CA ASN B 103 -0.130 6.259 -12.087 1.00 41.10 C ATOM 1733 C ASN B 103 -0.126 5.372 -13.332 1.00 30.41 C ATOM 1734 O ASN B 103 -0.951 4.481 -13.482 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.597 6.491 -11.573 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.561 7.157 -12.570 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -3.182 6.485 -13.396 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -2.729 8.460 -12.465 1.00 15.22 N ATOM 0 H ASN B 103 1.306 7.712 -11.532 1.00 21.34 H new ATOM 0 HA ASN B 103 0.402 5.730 -11.297 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -2.016 5.528 -11.281 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -1.553 7.106 -10.674 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -3.388 8.940 -13.078 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -2.200 8.988 -11.771 1.00 15.22 H new ATOM 1745 N LYS B 104 0.900 5.525 -14.123 1.00 23.05 N ATOM 1746 CA LYS B 104 0.997 4.920 -15.418 1.00 71.21 C ATOM 1747 C LYS B 104 1.756 3.615 -15.317 1.00 63.12 C ATOM 1748 O LYS B 104 1.589 2.704 -16.127 1.00 54.40 O ATOM 1749 CB LYS B 104 1.741 5.900 -16.326 1.00 54.41 C ATOM 1750 CG LYS B 104 1.944 5.433 -17.738 1.00 51.33 C ATOM 1751 CD LYS B 104 2.795 6.411 -18.510 1.00 14.11 C ATOM 1752 CE LYS B 104 3.085 5.900 -19.903 1.00 53.22 C ATOM 1753 NZ LYS B 104 3.754 4.583 -19.879 1.00 30.43 N ATOM 0 H LYS B 104 1.713 6.090 -13.876 1.00 23.05 H new ATOM 0 HA LYS B 104 0.008 4.704 -15.823 1.00 71.21 H new ATOM 0 HB2 LYS B 104 1.191 6.841 -16.347 1.00 54.41 H new ATOM 0 HB3 LYS B 104 2.716 6.110 -15.886 1.00 54.41 H new ATOM 0 HG2 LYS B 104 2.420 4.452 -17.736 1.00 51.33 H new ATOM 0 HG3 LYS B 104 0.978 5.318 -18.230 1.00 51.33 H new ATOM 0 HD2 LYS B 104 2.285 7.372 -18.571 1.00 14.11 H new ATOM 0 HD3 LYS B 104 3.732 6.580 -17.979 1.00 14.11 H new ATOM 0 HE2 LYS B 104 2.153 5.823 -20.463 1.00 53.22 H new ATOM 0 HE3 LYS B 104 3.715 6.617 -20.429 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 4.514 4.567 -20.589 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 4.158 4.416 -18.935 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 3.062 3.838 -20.096 1.00 30.43 H new ATOM 1767 N TYR B 105 2.560 3.519 -14.300 1.00 74.05 N ATOM 1768 CA TYR B 105 3.415 2.371 -14.104 1.00 12.53 C ATOM 1769 C TYR B 105 2.701 1.305 -13.269 1.00 13.41 C ATOM 1770 O TYR B 105 3.218 0.198 -13.099 1.00 2.12 O ATOM 1771 CB TYR B 105 4.695 2.836 -13.389 1.00 73.50 C ATOM 1772 CG TYR B 105 5.823 1.849 -13.425 1.00 32.23 C ATOM 1773 CD1 TYR B 105 6.526 1.672 -14.590 1.00 62.14 C ATOM 1774 CD2 TYR B 105 6.184 1.098 -12.310 1.00 33.20 C ATOM 1775 CE1 TYR B 105 7.568 0.765 -14.670 1.00 3.04 C ATOM 1776 CE2 TYR B 105 7.218 0.197 -12.372 1.00 1.32 C ATOM 1777 CZ TYR B 105 7.910 0.028 -13.549 1.00 33.11 C ATOM 1778 OH TYR B 105 8.945 -0.899 -13.609 1.00 24.32 O ATOM 0 H TYR B 105 2.647 4.233 -13.577 1.00 74.05 H new ATOM 0 HA TYR B 105 3.664 1.929 -15.069 1.00 12.53 H new ATOM 0 HB2 TYR B 105 5.031 3.768 -13.843 1.00 73.50 H new ATOM 0 HB3 TYR B 105 4.455 3.056 -12.349 1.00 73.50 H new ATOM 0 HD1 TYR B 105 6.261 2.252 -15.462 1.00 62.14 H new ATOM 0 HD2 TYR B 105 5.643 1.226 -11.384 1.00 33.20 H new ATOM 0 HE1 TYR B 105 8.108 0.634 -15.596 1.00 3.04 H new ATOM 0 HE2 TYR B 105 7.488 -0.378 -11.498 1.00 1.32 H new ATOM 0 HH TYR B 105 9.052 -1.326 -12.734 1.00 24.32 H new ATOM 1788 N ASN B 106 1.481 1.641 -12.807 1.00 43.42 N ATOM 1789 CA ASN B 106 0.712 0.833 -11.825 1.00 41.25 C ATOM 1790 C ASN B 106 1.446 0.873 -10.494 1.00 40.41 C ATOM 1791 O ASN B 106 2.590 0.433 -10.416 1.00 21.44 O ATOM 1792 CB ASN B 106 0.487 -0.640 -12.266 1.00 44.44 C ATOM 1793 CG ASN B 106 -0.268 -1.468 -11.212 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -1.125 -0.960 -10.501 1.00 64.13 O ATOM 1795 ND2 ASN B 106 0.045 -2.744 -11.112 1.00 53.45 N ATOM 0 H ASN B 106 0.993 2.486 -13.104 1.00 43.42 H new ATOM 0 HA ASN B 106 -0.282 1.272 -11.745 1.00 41.25 H new ATOM 0 HB2 ASN B 106 -0.073 -0.653 -13.201 1.00 44.44 H new ATOM 0 HB3 ASN B 106 1.452 -1.106 -12.465 1.00 44.44 H new ATOM 0 HD21 ASN B 106 -0.431 -3.334 -10.429 1.00 53.45 H new ATOM 0 HD22 ASN B 106 0.763 -3.142 -11.717 1.00 53.45 H new ATOM 1802 N PRO B 107 0.820 1.450 -9.450 1.00 2.41 N ATOM 1803 CA PRO B 107 1.439 1.618 -8.132 1.00 33.40 C ATOM 1804 C PRO B 107 2.118 0.355 -7.576 1.00 61.13 C ATOM 1805 O PRO B 107 1.463 -0.539 -7.013 1.00 2.50 O ATOM 1806 CB PRO B 107 0.277 2.051 -7.234 1.00 23.24 C ATOM 1807 CG PRO B 107 -0.677 2.716 -8.162 1.00 52.51 C ATOM 1808 CD PRO B 107 -0.560 1.985 -9.471 1.00 12.41 C ATOM 0 HA PRO B 107 2.255 2.338 -8.186 1.00 33.40 H new ATOM 0 HB2 PRO B 107 -0.182 1.196 -6.737 1.00 23.24 H new ATOM 0 HB3 PRO B 107 0.611 2.732 -6.452 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -1.695 2.666 -7.777 1.00 52.51 H new ATOM 0 HG3 PRO B 107 -0.433 3.772 -8.282 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -1.298 1.187 -9.552 1.00 12.41 H new ATOM 0 HD3 PRO B 107 -0.718 2.652 -10.318 1.00 12.41 H new ATOM 1816 N SER B 108 3.416 0.259 -7.815 1.00 32.11 N ATOM 1817 CA SER B 108 4.221 -0.775 -7.257 1.00 31.54 C ATOM 1818 C SER B 108 4.310 -0.484 -5.781 1.00 35.33 C ATOM 1819 O SER B 108 4.794 0.594 -5.390 1.00 31.14 O ATOM 1820 CB SER B 108 5.594 -0.733 -7.909 1.00 33.24 C ATOM 1821 OG SER B 108 5.463 -0.748 -9.326 1.00 63.24 O ATOM 0 H SER B 108 3.929 0.910 -8.409 1.00 32.11 H new ATOM 0 HA SER B 108 3.805 -1.768 -7.424 1.00 31.54 H new ATOM 0 HB2 SER B 108 6.127 0.164 -7.595 1.00 33.24 H new ATOM 0 HB3 SER B 108 6.187 -1.587 -7.582 1.00 33.24 H new ATOM 0 HG SER B 108 6.352 -0.719 -9.737 1.00 63.24 H new ATOM 1827 N LEU B 109 3.859 -1.418 -4.974 1.00 41.22 N ATOM 1828 CA LEU B 109 3.665 -1.176 -3.575 1.00 3.42 C ATOM 1829 C LEU B 109 4.952 -0.816 -2.871 1.00 71.35 C ATOM 1830 O LEU B 109 4.976 0.170 -2.183 1.00 31.14 O ATOM 1831 CB LEU B 109 2.883 -2.338 -2.895 1.00 34.44 C ATOM 1832 CG LEU B 109 2.414 -2.144 -1.417 1.00 23.40 C ATOM 1833 CD1 LEU B 109 3.542 -2.384 -0.418 1.00 22.03 C ATOM 1834 CD2 LEU B 109 1.819 -0.738 -1.222 1.00 44.53 C ATOM 0 H LEU B 109 3.619 -2.363 -5.275 1.00 41.22 H new ATOM 0 HA LEU B 109 3.032 -0.294 -3.479 1.00 3.42 H new ATOM 0 HB2 LEU B 109 2.001 -2.545 -3.500 1.00 34.44 H new ATOM 0 HB3 LEU B 109 3.511 -3.228 -2.931 1.00 34.44 H new ATOM 0 HG LEU B 109 1.643 -2.890 -1.223 1.00 23.40 H new ATOM 0 HD11 LEU B 109 3.168 -2.237 0.595 1.00 22.03 H new ATOM 0 HD12 LEU B 109 3.911 -3.404 -0.524 1.00 22.03 H new ATOM 0 HD13 LEU B 109 4.354 -1.682 -0.610 1.00 22.03 H new ATOM 0 HD21 LEU B 109 1.497 -0.619 -0.187 1.00 44.53 H new ATOM 0 HD22 LEU B 109 2.574 0.012 -1.455 1.00 44.53 H new ATOM 0 HD23 LEU B 109 0.963 -0.610 -1.885 1.00 44.53 H new ATOM 1846 N GLN B 110 6.026 -1.565 -3.084 1.00 2.30 N ATOM 1847 CA GLN B 110 7.286 -1.281 -2.387 1.00 25.44 C ATOM 1848 C GLN B 110 7.834 0.108 -2.754 1.00 14.52 C ATOM 1849 O GLN B 110 8.255 0.854 -1.882 1.00 12.34 O ATOM 1850 CB GLN B 110 8.342 -2.366 -2.653 1.00 43.20 C ATOM 1851 CG GLN B 110 9.631 -2.184 -1.846 1.00 23.12 C ATOM 1852 CD GLN B 110 9.437 -2.344 -0.337 1.00 1.11 C ATOM 1853 OE1 GLN B 110 10.116 -1.699 0.464 1.00 21.35 O ATOM 1854 NE2 GLN B 110 8.578 -3.249 0.067 1.00 45.30 N ATOM 0 H GLN B 110 6.058 -2.361 -3.721 1.00 2.30 H new ATOM 0 HA GLN B 110 7.064 -1.286 -1.320 1.00 25.44 H new ATOM 0 HB2 GLN B 110 7.914 -3.341 -2.421 1.00 43.20 H new ATOM 0 HB3 GLN B 110 8.587 -2.369 -3.715 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.369 -2.909 -2.188 1.00 23.12 H new ATOM 0 HG3 GLN B 110 10.040 -1.194 -2.048 1.00 23.12 H new ATOM 0 HE21 GLN B 110 8.027 -3.770 -0.615 1.00 45.30 H new ATOM 0 HE22 GLN B 110 8.461 -3.432 1.064 1.00 45.30 H new ATOM 1863 N LEU B 111 7.792 0.460 -4.032 1.00 33.52 N ATOM 1864 CA LEU B 111 8.271 1.779 -4.468 1.00 33.42 C ATOM 1865 C LEU B 111 7.426 2.893 -3.859 1.00 12.12 C ATOM 1866 O LEU B 111 7.955 3.850 -3.304 1.00 53.21 O ATOM 1867 CB LEU B 111 8.285 1.889 -5.995 1.00 75.22 C ATOM 1868 CG LEU B 111 9.239 0.941 -6.720 1.00 12.11 C ATOM 1869 CD1 LEU B 111 9.129 1.120 -8.224 1.00 72.44 C ATOM 1870 CD2 LEU B 111 10.671 1.164 -6.255 1.00 1.23 C ATOM 0 H LEU B 111 7.438 -0.135 -4.781 1.00 33.52 H new ATOM 0 HA LEU B 111 9.296 1.891 -4.113 1.00 33.42 H new ATOM 0 HB2 LEU B 111 7.275 1.709 -6.363 1.00 75.22 H new ATOM 0 HB3 LEU B 111 8.545 2.913 -6.265 1.00 75.22 H new ATOM 0 HG LEU B 111 8.957 -0.083 -6.477 1.00 12.11 H new ATOM 0 HD11 LEU B 111 9.816 0.436 -8.723 1.00 72.44 H new ATOM 0 HD12 LEU B 111 8.109 0.906 -8.542 1.00 72.44 H new ATOM 0 HD13 LEU B 111 9.383 2.147 -8.488 1.00 72.44 H new ATOM 0 HD21 LEU B 111 11.336 0.480 -6.783 1.00 1.23 H new ATOM 0 HD22 LEU B 111 10.966 2.192 -6.466 1.00 1.23 H new ATOM 0 HD23 LEU B 111 10.738 0.980 -5.183 1.00 1.23 H new ATOM 1882 N ALA B 112 6.118 2.709 -3.910 1.00 72.35 N ATOM 1883 CA ALA B 112 5.156 3.665 -3.366 1.00 41.10 C ATOM 1884 C ALA B 112 5.340 3.789 -1.859 1.00 44.34 C ATOM 1885 O ALA B 112 5.257 4.876 -1.286 1.00 24.52 O ATOM 1886 CB ALA B 112 3.734 3.240 -3.696 1.00 4.33 C ATOM 0 H ALA B 112 5.686 1.887 -4.332 1.00 72.35 H new ATOM 0 HA ALA B 112 5.334 4.638 -3.823 1.00 41.10 H new ATOM 0 HB1 ALA B 112 3.032 3.964 -3.282 1.00 4.33 H new ATOM 0 HB2 ALA B 112 3.610 3.192 -4.778 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.538 2.258 -3.265 1.00 4.33 H new ATOM 1892 N LEU B 113 5.617 2.658 -1.252 1.00 33.43 N ATOM 1893 CA LEU B 113 5.792 2.494 0.175 1.00 23.45 C ATOM 1894 C LEU B 113 6.962 3.342 0.653 1.00 50.21 C ATOM 1895 O LEU B 113 6.900 3.990 1.699 1.00 21.23 O ATOM 1896 CB LEU B 113 6.138 1.036 0.404 1.00 32.41 C ATOM 1897 CG LEU B 113 5.890 0.455 1.752 1.00 61.44 C ATOM 1898 CD1 LEU B 113 4.401 0.390 1.997 1.00 11.43 C ATOM 1899 CD2 LEU B 113 6.502 -0.925 1.816 1.00 70.53 C ATOM 0 H LEU B 113 5.732 1.784 -1.764 1.00 33.43 H new ATOM 0 HA LEU B 113 4.891 2.794 0.711 1.00 23.45 H new ATOM 0 HB2 LEU B 113 5.580 0.444 -0.321 1.00 32.41 H new ATOM 0 HB3 LEU B 113 7.196 0.905 0.175 1.00 32.41 H new ATOM 0 HG LEU B 113 6.345 1.077 2.522 1.00 61.44 H new ATOM 0 HD11 LEU B 113 4.213 -0.035 2.983 1.00 11.43 H new ATOM 0 HD12 LEU B 113 3.980 1.394 1.948 1.00 11.43 H new ATOM 0 HD13 LEU B 113 3.934 -0.236 1.237 1.00 11.43 H new ATOM 0 HD21 LEU B 113 6.324 -1.357 2.801 1.00 70.53 H new ATOM 0 HD22 LEU B 113 6.049 -1.560 1.054 1.00 70.53 H new ATOM 0 HD23 LEU B 113 7.575 -0.856 1.639 1.00 70.53 H new ATOM 1911 N LYS B 114 8.035 3.334 -0.125 1.00 52.33 N ATOM 1912 CA LYS B 114 9.212 4.096 0.225 1.00 54.10 C ATOM 1913 C LYS B 114 8.916 5.563 0.112 1.00 25.41 C ATOM 1914 O LYS B 114 9.326 6.353 0.952 1.00 42.33 O ATOM 1915 CB LYS B 114 10.389 3.795 -0.672 1.00 63.32 C ATOM 1916 CG LYS B 114 10.721 2.344 -0.861 1.00 23.52 C ATOM 1917 CD LYS B 114 12.141 2.188 -1.361 1.00 64.34 C ATOM 1918 CE LYS B 114 13.083 2.723 -0.289 1.00 3.10 C ATOM 1919 NZ LYS B 114 14.515 2.528 -0.569 1.00 33.32 N ATOM 0 H LYS B 114 8.109 2.810 -0.997 1.00 52.33 H new ATOM 0 HA LYS B 114 9.472 3.815 1.246 1.00 54.10 H new ATOM 0 HB2 LYS B 114 10.195 4.233 -1.651 1.00 63.32 H new ATOM 0 HB3 LYS B 114 11.267 4.298 -0.266 1.00 63.32 H new ATOM 0 HG2 LYS B 114 10.600 1.811 0.082 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.027 1.895 -1.572 1.00 23.52 H new ATOM 0 HD2 LYS B 114 12.358 1.140 -1.570 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.278 2.734 -2.294 1.00 64.34 H new ATOM 0 HE2 LYS B 114 12.895 3.789 -0.160 1.00 3.10 H new ATOM 0 HE3 LYS B 114 12.844 2.240 0.658 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 15.065 2.699 0.297 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 14.676 1.553 -0.894 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 14.818 3.194 -1.308 1.00 33.32 H new ATOM 1933 N ILE B 115 8.181 5.910 -0.922 1.00 54.11 N ATOM 1934 CA ILE B 115 7.814 7.298 -1.203 1.00 1.24 C ATOM 1935 C ILE B 115 6.995 7.865 -0.041 1.00 2.41 C ATOM 1936 O ILE B 115 7.212 9.005 0.385 1.00 64.12 O ATOM 1937 CB ILE B 115 6.997 7.425 -2.528 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.814 6.901 -3.715 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.567 8.869 -2.775 1.00 5.22 C ATOM 1940 CD1 ILE B 115 7.094 6.975 -5.054 1.00 35.31 C ATOM 0 H ILE B 115 7.815 5.241 -1.600 1.00 54.11 H new ATOM 0 HA ILE B 115 8.737 7.866 -1.321 1.00 1.24 H new ATOM 0 HB ILE B 115 6.098 6.818 -2.426 1.00 62.52 H new ATOM 0 HG12 ILE B 115 8.741 7.471 -3.782 1.00 62.35 H new ATOM 0 HG13 ILE B 115 8.090 5.865 -3.521 1.00 62.35 H new ATOM 0 HG21 ILE B 115 6.000 8.926 -3.704 1.00 5.22 H new ATOM 0 HG22 ILE B 115 5.943 9.209 -1.948 1.00 5.22 H new ATOM 0 HG23 ILE B 115 7.450 9.504 -2.849 1.00 5.22 H new ATOM 0 HD11 ILE B 115 7.743 6.585 -5.838 1.00 35.31 H new ATOM 0 HD12 ILE B 115 6.181 6.381 -5.009 1.00 35.31 H new ATOM 0 HD13 ILE B 115 6.842 8.012 -5.275 1.00 35.31 H new ATOM 1952 N ALA B 116 6.115 7.029 0.497 1.00 44.20 N ATOM 1953 CA ALA B 116 5.281 7.376 1.641 1.00 11.21 C ATOM 1954 C ALA B 116 6.155 7.749 2.823 1.00 70.10 C ATOM 1955 O ALA B 116 5.915 8.734 3.515 1.00 34.45 O ATOM 1956 CB ALA B 116 4.413 6.191 2.016 1.00 53.40 C ATOM 0 H ALA B 116 5.959 6.083 0.148 1.00 44.20 H new ATOM 0 HA ALA B 116 4.650 8.224 1.376 1.00 11.21 H new ATOM 0 HB1 ALA B 116 3.790 6.452 2.872 1.00 53.40 H new ATOM 0 HB2 ALA B 116 3.777 5.924 1.172 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.047 5.343 2.274 1.00 53.40 H new ATOM 1962 N TYR B 117 7.179 6.965 3.007 1.00 50.04 N ATOM 1963 CA TYR B 117 8.134 7.135 4.061 1.00 11.22 C ATOM 1964 C TYR B 117 9.022 8.385 3.841 1.00 40.54 C ATOM 1965 O TYR B 117 9.158 9.213 4.743 1.00 51.22 O ATOM 1966 CB TYR B 117 8.964 5.848 4.165 1.00 31.54 C ATOM 1967 CG TYR B 117 10.157 5.909 5.075 1.00 42.44 C ATOM 1968 CD1 TYR B 117 10.041 5.709 6.441 1.00 73.13 C ATOM 1969 CD2 TYR B 117 11.409 6.154 4.549 1.00 52.31 C ATOM 1970 CE1 TYR B 117 11.151 5.754 7.260 1.00 33.41 C ATOM 1971 CE2 TYR B 117 12.521 6.197 5.345 1.00 14.05 C ATOM 1972 CZ TYR B 117 12.391 5.998 6.708 1.00 45.04 C ATOM 1973 OH TYR B 117 13.513 6.016 7.519 1.00 12.24 O ATOM 0 H TYR B 117 7.377 6.164 2.407 1.00 50.04 H new ATOM 0 HA TYR B 117 7.614 7.310 5.003 1.00 11.22 H new ATOM 0 HB2 TYR B 117 8.312 5.044 4.506 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.307 5.578 3.166 1.00 31.54 H new ATOM 0 HD1 TYR B 117 9.069 5.515 6.871 1.00 73.13 H new ATOM 0 HD2 TYR B 117 11.513 6.315 3.486 1.00 52.31 H new ATOM 0 HE1 TYR B 117 11.049 5.599 8.324 1.00 33.41 H new ATOM 0 HE2 TYR B 117 13.493 6.385 4.913 1.00 14.05 H new ATOM 0 HH TYR B 117 14.307 6.201 6.975 1.00 12.24 H new ATOM 1983 N TYR B 118 9.607 8.525 2.646 1.00 52.41 N ATOM 1984 CA TYR B 118 10.519 9.653 2.351 1.00 3.45 C ATOM 1985 C TYR B 118 9.810 10.995 2.379 1.00 25.43 C ATOM 1986 O TYR B 118 10.401 12.005 2.737 1.00 40.30 O ATOM 1987 CB TYR B 118 11.214 9.512 0.993 1.00 51.32 C ATOM 1988 CG TYR B 118 12.195 8.374 0.861 1.00 74.11 C ATOM 1989 CD1 TYR B 118 13.385 8.355 1.573 1.00 25.42 C ATOM 1990 CD2 TYR B 118 11.954 7.352 -0.021 1.00 1.22 C ATOM 1991 CE1 TYR B 118 14.298 7.332 1.396 1.00 72.42 C ATOM 1992 CE2 TYR B 118 12.845 6.331 -0.194 1.00 0.00 C ATOM 1993 CZ TYR B 118 14.014 6.324 0.508 1.00 75.33 C ATOM 1994 OH TYR B 118 14.911 5.310 0.299 1.00 10.50 O ATOM 0 H TYR B 118 9.471 7.880 1.868 1.00 52.41 H new ATOM 0 HA TYR B 118 11.266 9.617 3.144 1.00 3.45 H new ATOM 0 HB2 TYR B 118 10.448 9.394 0.227 1.00 51.32 H new ATOM 0 HB3 TYR B 118 11.739 10.443 0.779 1.00 51.32 H new ATOM 0 HD1 TYR B 118 13.601 9.148 2.274 1.00 25.42 H new ATOM 0 HD2 TYR B 118 11.038 7.354 -0.593 1.00 1.22 H new ATOM 0 HE1 TYR B 118 15.225 7.326 1.950 1.00 72.42 H new ATOM 0 HE2 TYR B 118 12.624 5.531 -0.885 1.00 0.00 H new ATOM 0 HH TYR B 118 15.029 5.171 -0.664 1.00 10.50 H new ATOM 2004 N LEU B 119 8.561 11.005 1.993 1.00 43.52 N ATOM 2005 CA LEU B 119 7.795 12.241 1.968 1.00 35.04 C ATOM 2006 C LEU B 119 7.020 12.425 3.260 1.00 52.42 C ATOM 2007 O LEU B 119 6.494 13.510 3.531 1.00 34.31 O ATOM 2008 CB LEU B 119 6.859 12.292 0.751 1.00 34.25 C ATOM 2009 CG LEU B 119 7.539 12.244 -0.630 1.00 75.05 C ATOM 2010 CD1 LEU B 119 6.508 12.318 -1.740 1.00 73.24 C ATOM 2011 CD2 LEU B 119 8.562 13.359 -0.780 1.00 30.33 C ATOM 0 H LEU B 119 8.046 10.178 1.691 1.00 43.52 H new ATOM 0 HA LEU B 119 8.500 13.067 1.877 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.162 11.457 0.819 1.00 34.25 H new ATOM 0 HB3 LEU B 119 6.268 13.206 0.811 1.00 34.25 H new ATOM 0 HG LEU B 119 8.064 11.292 -0.708 1.00 75.05 H new ATOM 0 HD11 LEU B 119 7.011 12.283 -2.706 1.00 73.24 H new ATOM 0 HD12 LEU B 119 5.822 11.475 -1.656 1.00 73.24 H new ATOM 0 HD13 LEU B 119 5.949 13.250 -1.656 1.00 73.24 H new ATOM 0 HD21 LEU B 119 9.025 13.298 -1.765 1.00 30.33 H new ATOM 0 HD22 LEU B 119 8.067 14.324 -0.670 1.00 30.33 H new ATOM 0 HD23 LEU B 119 9.329 13.255 -0.012 1.00 30.33 H new ATOM 2022 N ASN B 120 7.022 11.375 4.072 1.00 23.44 N ATOM 2023 CA ASN B 120 6.290 11.295 5.335 1.00 34.54 C ATOM 2024 C ASN B 120 4.813 11.615 5.140 1.00 23.31 C ATOM 2025 O ASN B 120 4.316 12.685 5.519 1.00 53.04 O ATOM 2026 CB ASN B 120 6.920 12.148 6.464 1.00 0.13 C ATOM 2027 CG ASN B 120 6.164 12.032 7.788 1.00 2.32 C ATOM 2028 OD1 ASN B 120 5.568 10.994 8.094 1.00 41.33 O ATOM 2029 ND2 ASN B 120 6.173 13.084 8.568 1.00 61.11 N ATOM 0 H ASN B 120 7.550 10.527 3.865 1.00 23.44 H new ATOM 0 HA ASN B 120 6.368 10.260 5.669 1.00 34.54 H new ATOM 0 HB2 ASN B 120 7.954 11.838 6.613 1.00 0.13 H new ATOM 0 HB3 ASN B 120 6.942 13.193 6.154 1.00 0.13 H new ATOM 0 HD21 ASN B 120 5.678 13.062 9.459 1.00 61.11 H new ATOM 0 HD22 ASN B 120 6.676 13.925 8.284 1.00 61.11 H new ATOM 2036 N THR B 121 4.143 10.736 4.468 1.00 45.02 N ATOM 2037 CA THR B 121 2.743 10.841 4.198 1.00 24.13 C ATOM 2038 C THR B 121 2.229 9.424 3.971 1.00 75.14 C ATOM 2039 O THR B 121 2.782 8.704 3.159 1.00 45.22 O ATOM 2040 CB THR B 121 2.476 11.710 2.933 1.00 33.24 C ATOM 2041 OG1 THR B 121 3.015 13.039 3.120 1.00 22.11 O ATOM 2042 CG2 THR B 121 0.988 11.817 2.649 1.00 53.13 C ATOM 0 H THR B 121 4.569 9.895 4.078 1.00 45.02 H new ATOM 0 HA THR B 121 2.234 11.322 5.033 1.00 24.13 H new ATOM 0 HB THR B 121 2.965 11.226 2.087 1.00 33.24 H new ATOM 0 HG1 THR B 121 3.394 13.114 4.020 1.00 22.11 H new ATOM 0 HG21 THR B 121 0.830 12.429 1.761 1.00 53.13 H new ATOM 0 HG22 THR B 121 0.577 10.821 2.481 1.00 53.13 H new ATOM 0 HG23 THR B 121 0.487 12.278 3.501 1.00 53.13 H new ATOM 2050 N PRO B 122 1.208 8.993 4.722 1.00 2.53 N ATOM 2051 CA PRO B 122 0.659 7.642 4.605 1.00 62.14 C ATOM 2052 C PRO B 122 0.103 7.372 3.207 1.00 22.43 C ATOM 2053 O PRO B 122 -0.404 8.289 2.542 1.00 73.34 O ATOM 2054 CB PRO B 122 -0.471 7.609 5.635 1.00 52.13 C ATOM 2055 CG PRO B 122 -0.207 8.754 6.545 1.00 3.21 C ATOM 2056 CD PRO B 122 0.503 9.787 5.726 1.00 22.03 C ATOM 0 HA PRO B 122 1.422 6.882 4.774 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -1.444 7.705 5.154 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -0.478 6.666 6.181 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -1.138 9.151 6.950 1.00 3.21 H new ATOM 0 HG3 PRO B 122 0.403 8.444 7.393 1.00 3.21 H new ATOM 0 HD2 PRO B 122 -0.196 10.487 5.268 1.00 22.03 H new ATOM 0 HD3 PRO B 122 1.193 10.375 6.331 1.00 22.03 H new ATOM 2064 N LEU B 123 0.163 6.111 2.796 1.00 62.42 N ATOM 2065 CA LEU B 123 -0.247 5.678 1.463 1.00 13.13 C ATOM 2066 C LEU B 123 -1.666 6.097 1.131 1.00 71.12 C ATOM 2067 O LEU B 123 -1.935 6.515 0.011 1.00 53.41 O ATOM 2068 CB LEU B 123 -0.117 4.162 1.325 1.00 34.12 C ATOM 2069 CG LEU B 123 1.295 3.589 1.368 1.00 42.20 C ATOM 2070 CD1 LEU B 123 1.243 2.074 1.412 1.00 13.21 C ATOM 2071 CD2 LEU B 123 2.103 4.064 0.172 1.00 35.04 C ATOM 0 H LEU B 123 0.502 5.350 3.385 1.00 62.42 H new ATOM 0 HA LEU B 123 0.421 6.170 0.756 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -0.697 3.697 2.122 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -0.576 3.866 0.382 1.00 34.12 H new ATOM 0 HG LEU B 123 1.788 3.946 2.272 1.00 42.20 H new ATOM 0 HD11 LEU B 123 2.257 1.676 1.442 1.00 13.21 H new ATOM 0 HD12 LEU B 123 0.701 1.754 2.302 1.00 13.21 H new ATOM 0 HD13 LEU B 123 0.734 1.701 0.523 1.00 13.21 H new ATOM 0 HD21 LEU B 123 3.108 3.644 0.222 1.00 35.04 H new ATOM 0 HD22 LEU B 123 1.618 3.737 -0.748 1.00 35.04 H new ATOM 0 HD23 LEU B 123 2.164 5.152 0.183 1.00 35.04 H new ATOM 2082 N GLU B 124 -2.559 5.989 2.104 1.00 41.15 N ATOM 2083 CA GLU B 124 -3.971 6.346 1.929 1.00 25.13 C ATOM 2084 C GLU B 124 -4.169 7.804 1.534 1.00 23.31 C ATOM 2085 O GLU B 124 -5.102 8.133 0.806 1.00 41.22 O ATOM 2086 CB GLU B 124 -4.742 6.017 3.198 1.00 25.40 C ATOM 2087 CG GLU B 124 -4.735 4.535 3.515 1.00 63.30 C ATOM 2088 CD GLU B 124 -5.271 4.226 4.872 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -6.502 4.128 5.039 1.00 53.22 O ATOM 2090 OE2 GLU B 124 -4.465 4.089 5.807 1.00 71.30 O ATOM 0 H GLU B 124 -2.331 5.652 3.039 1.00 41.15 H new ATOM 0 HA GLU B 124 -4.359 5.753 1.101 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -4.309 6.566 4.034 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -5.772 6.357 3.092 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.327 4.007 2.768 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -3.715 4.158 3.439 1.00 63.30 H new ATOM 2097 N ASP B 125 -3.339 8.680 2.056 1.00 34.01 N ATOM 2098 CA ASP B 125 -3.411 10.091 1.690 1.00 63.41 C ATOM 2099 C ASP B 125 -2.888 10.297 0.265 1.00 42.14 C ATOM 2100 O ASP B 125 -3.396 11.112 -0.496 1.00 72.41 O ATOM 2101 CB ASP B 125 -2.642 10.956 2.679 1.00 22.41 C ATOM 2102 CG ASP B 125 -2.889 12.436 2.463 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -3.966 12.933 2.873 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -2.007 13.145 1.952 1.00 14.52 O ATOM 0 H ASP B 125 -2.609 8.450 2.731 1.00 34.01 H new ATOM 0 HA ASP B 125 -4.456 10.399 1.725 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -2.931 10.686 3.695 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -1.576 10.750 2.585 1.00 22.41 H new ATOM 2109 N ILE B 126 -1.894 9.502 -0.074 1.00 25.13 N ATOM 2110 CA ILE B 126 -1.207 9.562 -1.359 1.00 73.13 C ATOM 2111 C ILE B 126 -2.095 9.046 -2.507 1.00 51.12 C ATOM 2112 O ILE B 126 -2.331 9.747 -3.510 1.00 44.15 O ATOM 2113 CB ILE B 126 0.125 8.759 -1.303 1.00 50.03 C ATOM 2114 CG1 ILE B 126 1.091 9.391 -0.292 1.00 75.01 C ATOM 2115 CG2 ILE B 126 0.769 8.657 -2.673 1.00 14.41 C ATOM 2116 CD1 ILE B 126 2.415 8.667 -0.163 1.00 50.54 C ATOM 0 H ILE B 126 -1.529 8.779 0.546 1.00 25.13 H new ATOM 0 HA ILE B 126 -0.982 10.609 -1.561 1.00 73.13 H new ATOM 0 HB ILE B 126 -0.108 7.746 -0.973 1.00 50.03 H new ATOM 0 HG12 ILE B 126 1.281 10.424 -0.585 1.00 75.01 H new ATOM 0 HG13 ILE B 126 0.609 9.420 0.685 1.00 75.01 H new ATOM 0 HG21 ILE B 126 1.697 8.090 -2.598 1.00 14.41 H new ATOM 0 HG22 ILE B 126 0.089 8.150 -3.358 1.00 14.41 H new ATOM 0 HG23 ILE B 126 0.984 9.657 -3.049 1.00 14.41 H new ATOM 0 HD11 ILE B 126 3.039 9.177 0.571 1.00 50.54 H new ATOM 0 HD12 ILE B 126 2.239 7.641 0.161 1.00 50.54 H new ATOM 0 HD13 ILE B 126 2.922 8.660 -1.128 1.00 50.54 H new ATOM 2128 N PHE B 127 -2.561 7.832 -2.373 1.00 35.15 N ATOM 2129 CA PHE B 127 -3.381 7.233 -3.389 1.00 22.52 C ATOM 2130 C PHE B 127 -4.791 7.045 -2.889 1.00 61.31 C ATOM 2131 O PHE B 127 -5.014 6.688 -1.735 1.00 64.35 O ATOM 2132 CB PHE B 127 -2.813 5.866 -3.849 1.00 0.12 C ATOM 2133 CG PHE B 127 -1.466 5.914 -4.507 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -1.326 6.381 -5.801 1.00 71.31 C ATOM 2135 CD2 PHE B 127 -0.340 5.464 -3.836 1.00 50.52 C ATOM 2136 CE1 PHE B 127 -0.090 6.401 -6.413 1.00 50.13 C ATOM 2137 CE2 PHE B 127 0.899 5.486 -4.442 1.00 53.10 C ATOM 2138 CZ PHE B 127 1.024 5.956 -5.733 1.00 22.32 C ATOM 0 H PHE B 127 -2.384 7.237 -1.564 1.00 35.15 H new ATOM 0 HA PHE B 127 -3.383 7.911 -4.242 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -2.751 5.208 -2.982 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -3.521 5.413 -4.543 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -2.194 6.734 -6.338 1.00 71.31 H new ATOM 0 HD2 PHE B 127 -0.434 5.092 -2.827 1.00 50.52 H new ATOM 0 HE1 PHE B 127 0.005 6.765 -7.425 1.00 50.13 H new ATOM 0 HE2 PHE B 127 1.769 5.136 -3.907 1.00 53.10 H new ATOM 0 HZ PHE B 127 1.993 5.975 -6.210 1.00 22.32 H new ATOM 2148 N GLN B 128 -5.727 7.277 -3.755 1.00 72.24 N ATOM 2149 CA GLN B 128 -7.101 7.067 -3.458 1.00 2.15 C ATOM 2150 C GLN B 128 -7.521 5.812 -4.167 1.00 41.21 C ATOM 2151 O GLN B 128 -7.329 5.671 -5.370 1.00 54.12 O ATOM 2152 CB GLN B 128 -7.965 8.256 -3.902 1.00 43.12 C ATOM 2153 CG GLN B 128 -9.452 8.071 -3.610 1.00 54.21 C ATOM 2154 CD GLN B 128 -10.297 9.241 -4.051 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -10.529 10.178 -3.299 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -10.772 9.198 -5.261 1.00 41.41 N ATOM 0 H GLN B 128 -5.552 7.622 -4.699 1.00 72.24 H new ATOM 0 HA GLN B 128 -7.239 6.971 -2.381 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -7.614 9.158 -3.400 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -7.830 8.414 -4.972 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -9.804 7.169 -4.110 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -9.588 7.916 -2.540 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -10.561 8.403 -5.864 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -11.356 9.959 -5.607 1.00 41.41 H new ATOM 2165 N TRP B 129 -8.056 4.922 -3.442 1.00 13.44 N ATOM 2166 CA TRP B 129 -8.454 3.650 -3.948 1.00 61.35 C ATOM 2167 C TRP B 129 -9.910 3.419 -3.713 1.00 61.52 C ATOM 2168 O TRP B 129 -10.395 3.481 -2.577 1.00 24.43 O ATOM 2169 CB TRP B 129 -7.599 2.537 -3.351 1.00 14.01 C ATOM 2170 CG TRP B 129 -6.998 2.887 -2.025 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -7.650 3.135 -0.850 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -5.610 3.018 -1.751 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -6.745 3.430 0.127 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -5.481 3.355 -0.402 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -4.462 2.882 -2.526 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -4.248 3.554 0.191 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -3.237 3.079 -1.933 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -3.140 3.412 -0.590 1.00 31.53 C ATOM 0 H TRP B 129 -8.242 5.047 -2.447 1.00 13.44 H new ATOM 0 HA TRP B 129 -8.292 3.641 -5.026 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -8.210 1.642 -3.238 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -6.799 2.291 -4.049 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -8.721 3.102 -0.715 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -6.971 3.668 1.093 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -4.532 2.627 -3.573 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -4.166 3.813 1.236 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -2.338 2.973 -2.521 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -2.164 3.562 -0.153 1.00 31.53 H new ATOM 2189 N GLN B 130 -10.601 3.193 -4.778 1.00 35.50 N ATOM 2190 CA GLN B 130 -12.009 2.982 -4.748 1.00 11.44 C ATOM 2191 C GLN B 130 -12.314 1.631 -5.370 1.00 30.22 C ATOM 2192 O GLN B 130 -12.270 1.489 -6.591 1.00 33.31 O ATOM 2193 CB GLN B 130 -12.717 4.088 -5.535 1.00 44.22 C ATOM 2194 CG GLN B 130 -12.413 5.516 -5.066 1.00 32.13 C ATOM 2195 CD GLN B 130 -12.951 5.846 -3.680 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -13.047 4.993 -2.796 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -13.322 7.075 -3.481 1.00 53.21 N ATOM 0 H GLN B 130 -10.195 3.149 -5.713 1.00 35.50 H new ATOM 0 HA GLN B 130 -12.364 3.003 -3.718 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -12.439 4.000 -6.585 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -13.793 3.924 -5.475 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -11.333 5.665 -5.069 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -12.834 6.220 -5.784 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -13.232 7.762 -4.229 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -13.703 7.353 -2.576 1.00 53.21 H new ATOM 2206 N PRO B 131 -12.511 0.595 -4.548 1.00 63.05 N ATOM 2207 CA PRO B 131 -12.880 -0.738 -5.035 1.00 13.14 C ATOM 2208 C PRO B 131 -14.360 -0.791 -5.409 1.00 44.11 C ATOM 2209 O PRO B 131 -14.772 -1.522 -6.308 1.00 4.41 O ATOM 2210 CB PRO B 131 -12.606 -1.660 -3.821 1.00 11.15 C ATOM 2211 CG PRO B 131 -11.905 -0.802 -2.809 1.00 34.32 C ATOM 2212 CD PRO B 131 -12.326 0.606 -3.091 1.00 62.43 C ATOM 0 HA PRO B 131 -12.326 -1.024 -5.929 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -13.535 -2.062 -3.417 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -11.988 -2.511 -4.107 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -12.178 -1.094 -1.795 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -10.823 -0.909 -2.891 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -13.245 0.868 -2.567 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -11.568 1.326 -2.783 1.00 62.43 H new ATOM 2220 N GLU B 132 -15.133 0.008 -4.718 1.00 22.55 N ATOM 2221 CA GLU B 132 -16.556 0.057 -4.914 1.00 60.44 C ATOM 2222 C GLU B 132 -16.934 1.305 -5.680 1.00 3.22 C ATOM 2223 O GLU B 132 -16.983 1.249 -6.925 1.00 11.44 O ATOM 2224 CB GLU B 132 -17.290 -0.027 -3.574 1.00 14.51 C ATOM 2225 CG GLU B 132 -17.002 -1.313 -2.817 1.00 33.32 C ATOM 2226 CD GLU B 132 -17.773 -1.428 -1.534 1.00 75.24 C ATOM 2227 OE1 GLU B 132 -18.957 -1.820 -1.574 1.00 31.01 O ATOM 2228 OE2 GLU B 132 -17.205 -1.177 -0.446 1.00 24.43 O ATOM 2229 OXT GLU B 132 -17.166 2.350 -5.059 1.00 0.00 O ATOM 0 H GLU B 132 -14.789 0.646 -4.000 1.00 22.55 H new ATOM 0 HA GLU B 132 -16.861 -0.806 -5.506 1.00 60.44 H new ATOM 0 HB2 GLU B 132 -17.004 0.824 -2.956 1.00 14.51 H new ATOM 0 HB3 GLU B 132 -18.363 0.053 -3.748 1.00 14.51 H new ATOM 0 HG2 GLU B 132 -17.241 -2.164 -3.455 1.00 33.32 H new ATOM 0 HG3 GLU B 132 -15.935 -1.368 -2.599 1.00 33.32 H new TER 2236 GLU B 132