USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 916 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: A 59 GLN : amide:sc= -4.27! C(o=-4.3!,f=-4.6!) USER MOD Set 1.2: A 96 TYR OH : rot -173:sc= 0.0123 USER MOD Single : A 3 SER OG : rot 180:sc= -0.122 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.67 K(o=0.67,f=-4.7!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.4) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 29:sc= 0.296 USER MOD Single : A 22 ASN : amide:sc= -0.485 K(o=-0.49,f=-3.1!) USER MOD Single : A 23 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.15) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= 0.649 (180deg=0.232) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -20:sc= -1.49 USER MOD Single : A 50 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.021) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0845 USER MOD Single : A 57 HIS : no HE2:sc= -2.55 K(o=-2.5,f=-3.6) USER MOD Single : A 63 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.1!) USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= -0.478 (180deg=-3.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 71 ASN : amide:sc= -0.0213 X(o=-0.021,f=-0.2) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.022 (180deg=-0.195) USER MOD Single : A 74 LYS NZ :NH3+ 174:sc= -0.184 (180deg=-0.26) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 CYS SG : rot 160:sc= -1.66 USER MOD Single : A 82 HIS : no HD1:sc= 0.0741 X(o=0.074,f=-0.31) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -1.39! C(o=-2.6!,f=-1.4!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 76:sc= -0.209 USER MOD Single : A 98 SER OG : rot -20:sc= 0.137 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 105 MET CE :methyl 158:sc= -3.22 (180deg=-6.71!) USER MOD Single : A 107 CYS SG : rot 30:sc= 0.327 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.124 K(o=-0.12,f=-1) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 40.087 0.737 18.931 1.00 72.44 N ATOM 2 CA PRO A 2 38.692 0.429 19.260 1.00 30.41 C ATOM 3 C PRO A 2 37.730 0.839 18.151 1.00 51.44 C ATOM 4 O PRO A 2 37.715 1.994 17.725 1.00 45.24 O ATOM 5 CB PRO A 2 38.435 1.254 20.523 1.00 3.23 C ATOM 6 CG PRO A 2 39.406 2.381 20.443 1.00 42.30 C ATOM 7 CD PRO A 2 40.626 1.829 19.758 1.00 54.44 C ATOM 0 HA PRO A 2 38.532 -0.641 19.393 1.00 30.41 H new ATOM 0 HB2 PRO A 2 37.408 1.618 20.556 1.00 3.23 H new ATOM 0 HB3 PRO A 2 38.592 0.659 21.423 1.00 3.23 H new ATOM 0 HG2 PRO A 2 38.988 3.217 19.882 1.00 42.30 H new ATOM 0 HG3 PRO A 2 39.652 2.755 21.437 1.00 42.30 H new ATOM 0 HD2 PRO A 2 41.123 2.586 19.151 1.00 54.44 H new ATOM 0 HD3 PRO A 2 41.360 1.464 20.477 1.00 54.44 H new ATOM 15 N SER A 3 36.927 -0.113 17.687 1.00 21.11 N ATOM 16 CA SER A 3 35.964 0.149 16.624 1.00 13.43 C ATOM 17 C SER A 3 34.937 -0.975 16.532 1.00 14.13 C ATOM 18 O SER A 3 35.178 -2.092 16.991 1.00 12.31 O ATOM 19 CB SER A 3 36.683 0.310 15.283 1.00 33.35 C ATOM 20 OG SER A 3 35.845 -0.072 14.206 1.00 15.15 O ATOM 0 H SER A 3 36.924 -1.073 18.031 1.00 21.11 H new ATOM 0 HA SER A 3 35.442 1.076 16.861 1.00 13.43 H new ATOM 0 HB2 SER A 3 36.994 1.347 15.156 1.00 33.35 H new ATOM 0 HB3 SER A 3 37.588 -0.297 15.277 1.00 33.35 H new ATOM 0 HG SER A 3 36.327 0.042 13.360 1.00 15.15 H new ATOM 26 N LYS A 4 33.789 -0.672 15.936 1.00 52.34 N ATOM 27 CA LYS A 4 32.723 -1.655 15.781 1.00 43.13 C ATOM 28 C LYS A 4 31.963 -1.433 14.477 1.00 1.41 C ATOM 29 O LYS A 4 31.985 -0.339 13.912 1.00 1.10 O ATOM 30 CB LYS A 4 31.757 -1.582 16.966 1.00 44.45 C ATOM 31 CG LYS A 4 32.037 -2.615 18.043 1.00 4.43 C ATOM 32 CD LYS A 4 31.854 -4.030 17.520 1.00 3.55 C ATOM 33 CE LYS A 4 31.288 -4.950 18.591 1.00 64.33 C ATOM 34 NZ LYS A 4 29.807 -4.834 18.696 1.00 65.13 N ATOM 0 H LYS A 4 33.573 0.248 15.552 1.00 52.34 H new ATOM 0 HA LYS A 4 33.178 -2.645 15.752 1.00 43.13 H new ATOM 0 HB2 LYS A 4 31.810 -0.586 17.407 1.00 44.45 H new ATOM 0 HB3 LYS A 4 30.738 -1.716 16.602 1.00 44.45 H new ATOM 0 HG2 LYS A 4 33.055 -2.491 18.411 1.00 4.43 H new ATOM 0 HG3 LYS A 4 31.370 -2.450 18.889 1.00 4.43 H new ATOM 0 HD2 LYS A 4 31.186 -4.017 16.659 1.00 3.55 H new ATOM 0 HD3 LYS A 4 32.812 -4.418 17.174 1.00 3.55 H new ATOM 0 HE2 LYS A 4 31.556 -5.981 18.362 1.00 64.33 H new ATOM 0 HE3 LYS A 4 31.740 -4.709 19.553 1.00 64.33 H new ATOM 0 HZ1 LYS A 4 29.460 -5.477 19.437 1.00 65.13 H new ATOM 0 HZ2 LYS A 4 29.552 -3.856 18.939 1.00 65.13 H new ATOM 0 HZ3 LYS A 4 29.373 -5.089 17.786 1.00 65.13 H new ATOM 48 N LYS A 5 31.290 -2.476 14.005 1.00 73.12 N ATOM 49 CA LYS A 5 30.520 -2.395 12.769 1.00 12.03 C ATOM 50 C LYS A 5 29.321 -3.336 12.813 1.00 75.53 C ATOM 51 O LYS A 5 29.187 -4.145 13.731 1.00 41.54 O ATOM 52 CB LYS A 5 31.406 -2.736 11.569 1.00 52.42 C ATOM 53 CG LYS A 5 31.144 -1.863 10.353 1.00 25.41 C ATOM 54 CD LYS A 5 30.743 -2.695 9.146 1.00 2.22 C ATOM 55 CE LYS A 5 31.959 -3.145 8.351 1.00 72.24 C ATOM 56 NZ LYS A 5 31.904 -2.674 6.939 1.00 14.01 N ATOM 0 H LYS A 5 31.262 -3.389 14.460 1.00 73.12 H new ATOM 0 HA LYS A 5 30.154 -1.374 12.664 1.00 12.03 H new ATOM 0 HB2 LYS A 5 32.452 -2.636 11.860 1.00 52.42 H new ATOM 0 HB3 LYS A 5 31.250 -3.780 11.297 1.00 52.42 H new ATOM 0 HG2 LYS A 5 30.354 -1.147 10.581 1.00 25.41 H new ATOM 0 HG3 LYS A 5 32.039 -1.287 10.118 1.00 25.41 H new ATOM 0 HD2 LYS A 5 30.179 -3.568 9.475 1.00 2.22 H new ATOM 0 HD3 LYS A 5 30.082 -2.112 8.504 1.00 2.22 H new ATOM 0 HE2 LYS A 5 32.864 -2.765 8.825 1.00 72.24 H new ATOM 0 HE3 LYS A 5 32.022 -4.233 8.369 1.00 72.24 H new ATOM 0 HZ1 LYS A 5 32.750 -3.001 6.431 1.00 14.01 H new ATOM 0 HZ2 LYS A 5 31.054 -3.057 6.478 1.00 14.01 H new ATOM 0 HZ3 LYS A 5 31.869 -1.635 6.921 1.00 14.01 H new ATOM 70 N ASN A 6 28.451 -3.227 11.813 1.00 3.22 N ATOM 71 CA ASN A 6 27.263 -4.069 11.737 1.00 24.45 C ATOM 72 C ASN A 6 27.322 -4.983 10.517 1.00 33.43 C ATOM 73 O ASN A 6 28.352 -5.083 9.852 1.00 54.13 O ATOM 74 CB ASN A 6 26.002 -3.205 11.681 1.00 22.03 C ATOM 75 CG ASN A 6 24.861 -3.794 12.488 1.00 22.11 C ATOM 76 OD1 ASN A 6 24.229 -4.765 12.072 1.00 31.24 O ATOM 77 ND2 ASN A 6 24.593 -3.207 13.649 1.00 55.05 N ATOM 0 H ASN A 6 28.547 -2.563 11.044 1.00 3.22 H new ATOM 0 HA ASN A 6 27.230 -4.689 12.633 1.00 24.45 H new ATOM 0 HB2 ASN A 6 26.231 -2.208 12.056 1.00 22.03 H new ATOM 0 HB3 ASN A 6 25.689 -3.091 10.643 1.00 22.03 H new ATOM 0 HD21 ASN A 6 23.837 -3.559 14.236 1.00 55.05 H new ATOM 0 HD22 ASN A 6 25.144 -2.404 13.954 1.00 55.05 H new ATOM 84 N GLY A 7 26.207 -5.649 10.229 1.00 24.44 N ATOM 85 CA GLY A 7 26.153 -6.546 9.090 1.00 75.13 C ATOM 86 C GLY A 7 24.763 -7.108 8.860 1.00 4.32 C ATOM 87 O GLY A 7 24.135 -7.623 9.785 1.00 74.24 O ATOM 0 H GLY A 7 25.341 -5.583 10.764 1.00 24.44 H new ATOM 0 HA2 GLY A 7 26.479 -6.014 8.196 1.00 75.13 H new ATOM 0 HA3 GLY A 7 26.853 -7.367 9.245 1.00 75.13 H new ATOM 91 N ARG A 8 24.283 -7.007 7.625 1.00 14.24 N ATOM 92 CA ARG A 8 22.958 -7.506 7.278 1.00 33.32 C ATOM 93 C ARG A 8 22.777 -7.563 5.764 1.00 5.30 C ATOM 94 O ARG A 8 23.310 -6.727 5.034 1.00 63.21 O ATOM 95 CB ARG A 8 21.876 -6.620 7.898 1.00 3.45 C ATOM 96 CG ARG A 8 21.949 -5.168 7.453 1.00 72.44 C ATOM 97 CD ARG A 8 20.696 -4.755 6.697 1.00 52.52 C ATOM 98 NE ARG A 8 20.396 -3.336 6.870 1.00 50.33 N ATOM 99 CZ ARG A 8 21.129 -2.360 6.344 1.00 20.34 C ATOM 100 NH1 ARG A 8 22.199 -2.649 5.617 1.00 61.12 N ATOM 101 NH2 ARG A 8 20.792 -1.093 6.546 1.00 12.03 N ATOM 0 H ARG A 8 24.792 -6.584 6.848 1.00 14.24 H new ATOM 0 HA ARG A 8 22.863 -8.516 7.677 1.00 33.32 H new ATOM 0 HB2 ARG A 8 20.897 -7.022 7.639 1.00 3.45 H new ATOM 0 HB3 ARG A 8 21.961 -6.663 8.984 1.00 3.45 H new ATOM 0 HG2 ARG A 8 22.079 -4.525 8.324 1.00 72.44 H new ATOM 0 HG3 ARG A 8 22.823 -5.024 6.818 1.00 72.44 H new ATOM 0 HD2 ARG A 8 20.824 -4.972 5.637 1.00 52.52 H new ATOM 0 HD3 ARG A 8 19.851 -5.349 7.044 1.00 52.52 H new ATOM 0 HE ARG A 8 19.579 -3.080 7.425 1.00 50.33 H new ATOM 0 HH11 ARG A 8 22.461 -3.622 5.460 1.00 61.12 H new ATOM 0 HH12 ARG A 8 22.760 -1.898 5.214 1.00 61.12 H new ATOM 0 HH21 ARG A 8 19.970 -0.867 7.105 1.00 12.03 H new ATOM 0 HH22 ARG A 8 21.355 -0.345 6.142 1.00 12.03 H new ATOM 115 N SER A 9 22.023 -8.554 5.300 1.00 44.15 N ATOM 116 CA SER A 9 21.776 -8.722 3.872 1.00 25.23 C ATOM 117 C SER A 9 20.301 -9.007 3.606 1.00 25.21 C ATOM 118 O SER A 9 19.690 -9.844 4.269 1.00 13.31 O ATOM 119 CB SER A 9 22.636 -9.859 3.315 1.00 12.30 C ATOM 120 OG SER A 9 22.998 -9.611 1.968 1.00 50.34 O ATOM 0 H SER A 9 21.573 -9.253 5.891 1.00 44.15 H new ATOM 0 HA SER A 9 22.045 -7.793 3.369 1.00 25.23 H new ATOM 0 HB2 SER A 9 23.535 -9.970 3.922 1.00 12.30 H new ATOM 0 HB3 SER A 9 22.088 -10.799 3.381 1.00 12.30 H new ATOM 0 HG SER A 9 23.548 -10.351 1.636 1.00 50.34 H new ATOM 126 N GLY A 10 19.736 -8.304 2.629 1.00 20.04 N ATOM 127 CA GLY A 10 18.338 -8.495 2.292 1.00 54.32 C ATOM 128 C GLY A 10 17.667 -7.209 1.850 1.00 43.02 C ATOM 129 O GLY A 10 18.309 -6.169 1.699 1.00 62.33 O ATOM 0 H GLY A 10 20.221 -7.606 2.065 1.00 20.04 H new ATOM 0 HA2 GLY A 10 18.257 -9.235 1.496 1.00 54.32 H new ATOM 0 HA3 GLY A 10 17.811 -8.898 3.157 1.00 54.32 H new ATOM 133 N PRO A 11 16.345 -7.270 1.633 1.00 20.53 N ATOM 134 CA PRO A 11 15.559 -6.111 1.202 1.00 72.04 C ATOM 135 C PRO A 11 15.429 -5.058 2.297 1.00 64.01 C ATOM 136 O PRO A 11 15.375 -5.386 3.482 1.00 71.23 O ATOM 137 CB PRO A 11 14.190 -6.713 0.874 1.00 10.21 C ATOM 138 CG PRO A 11 14.111 -7.948 1.703 1.00 12.13 C ATOM 139 CD PRO A 11 15.516 -8.477 1.794 1.00 54.42 C ATOM 0 HA PRO A 11 16.024 -5.593 0.364 1.00 72.04 H new ATOM 0 HB2 PRO A 11 13.384 -6.020 1.118 1.00 10.21 H new ATOM 0 HB3 PRO A 11 14.103 -6.943 -0.188 1.00 10.21 H new ATOM 0 HG2 PRO A 11 13.712 -7.728 2.693 1.00 12.13 H new ATOM 0 HG3 PRO A 11 13.446 -8.682 1.247 1.00 12.13 H new ATOM 0 HD2 PRO A 11 15.700 -8.967 2.750 1.00 54.42 H new ATOM 0 HD3 PRO A 11 15.720 -9.212 1.015 1.00 54.42 H new ATOM 147 N GLN A 12 15.381 -3.793 1.892 1.00 15.04 N ATOM 148 CA GLN A 12 15.258 -2.692 2.841 1.00 73.41 C ATOM 149 C GLN A 12 13.855 -2.095 2.803 1.00 42.45 C ATOM 150 O GLN A 12 13.105 -2.270 1.842 1.00 43.11 O ATOM 151 CB GLN A 12 16.295 -1.610 2.536 1.00 72.12 C ATOM 152 CG GLN A 12 17.476 -1.613 3.493 1.00 41.55 C ATOM 153 CD GLN A 12 18.810 -1.651 2.773 1.00 51.31 C ATOM 154 OE1 GLN A 12 19.202 -0.686 2.116 1.00 12.30 O ATOM 155 NE2 GLN A 12 19.516 -2.769 2.893 1.00 11.11 N ATOM 0 H GLN A 12 15.425 -3.505 0.915 1.00 15.04 H new ATOM 0 HA GLN A 12 15.438 -3.085 3.841 1.00 73.41 H new ATOM 0 HB2 GLN A 12 16.662 -1.746 1.519 1.00 72.12 H new ATOM 0 HB3 GLN A 12 15.811 -0.634 2.572 1.00 72.12 H new ATOM 0 HG2 GLN A 12 17.432 -0.724 4.122 1.00 41.55 H new ATOM 0 HG3 GLN A 12 17.400 -2.475 4.155 1.00 41.55 H new ATOM 0 HE21 GLN A 12 19.153 -3.544 3.447 1.00 11.11 H new ATOM 0 HE22 GLN A 12 20.421 -2.853 2.431 1.00 11.11 H new ATOM 164 N PRO A 13 13.490 -1.371 3.872 1.00 61.44 N ATOM 165 CA PRO A 13 12.175 -0.733 3.984 1.00 44.21 C ATOM 166 C PRO A 13 12.013 0.435 3.016 1.00 25.44 C ATOM 167 O PRO A 13 12.960 1.182 2.766 1.00 55.13 O ATOM 168 CB PRO A 13 12.145 -0.236 5.431 1.00 11.04 C ATOM 169 CG PRO A 13 13.577 -0.058 5.801 1.00 20.11 C ATOM 170 CD PRO A 13 14.333 -1.121 5.053 1.00 70.02 C ATOM 0 HA PRO A 13 11.366 -1.420 3.738 1.00 44.21 H new ATOM 0 HB2 PRO A 13 11.595 0.701 5.516 1.00 11.04 H new ATOM 0 HB3 PRO A 13 11.653 -0.955 6.086 1.00 11.04 H new ATOM 0 HG2 PRO A 13 13.930 0.937 5.528 1.00 20.11 H new ATOM 0 HG3 PRO A 13 13.718 -0.163 6.877 1.00 20.11 H new ATOM 0 HD2 PRO A 13 15.330 -0.782 4.771 1.00 70.02 H new ATOM 0 HD3 PRO A 13 14.461 -2.022 5.654 1.00 70.02 H new ATOM 178 N HIS A 14 10.809 0.586 2.476 1.00 53.45 N ATOM 179 CA HIS A 14 10.523 1.665 1.536 1.00 71.43 C ATOM 180 C HIS A 14 9.299 2.461 1.979 1.00 42.15 C ATOM 181 O HIS A 14 8.677 2.151 2.995 1.00 63.43 O ATOM 182 CB HIS A 14 10.298 1.100 0.133 1.00 43.44 C ATOM 183 CG HIS A 14 11.309 0.070 -0.268 1.00 32.15 C ATOM 184 ND1 HIS A 14 10.984 -1.248 -0.512 1.00 11.32 N ATOM 185 CD2 HIS A 14 12.644 0.170 -0.467 1.00 72.14 C ATOM 186 CE1 HIS A 14 12.076 -1.914 -0.843 1.00 14.02 C ATOM 187 NE2 HIS A 14 13.097 -1.076 -0.824 1.00 33.52 N ATOM 0 H HIS A 14 10.016 -0.024 2.672 1.00 53.45 H new ATOM 0 HA HIS A 14 11.383 2.335 1.517 1.00 71.43 H new ATOM 0 HB2 HIS A 14 9.303 0.659 0.084 1.00 43.44 H new ATOM 0 HB3 HIS A 14 10.320 1.918 -0.587 1.00 43.44 H new ATOM 0 HD2 HIS A 14 13.242 1.064 -0.364 1.00 72.14 H new ATOM 0 HE1 HIS A 14 12.125 -2.965 -1.088 1.00 14.02 H new ATOM 0 HE2 HIS A 14 14.065 -1.316 -1.040 1.00 33.52 H new ATOM 195 N LYS A 15 8.959 3.490 1.210 1.00 41.03 N ATOM 196 CA LYS A 15 7.810 4.332 1.521 1.00 30.42 C ATOM 197 C LYS A 15 6.635 4.009 0.604 1.00 51.44 C ATOM 198 O LYS A 15 5.617 4.702 0.617 1.00 70.22 O ATOM 199 CB LYS A 15 8.184 5.810 1.389 1.00 34.21 C ATOM 200 CG LYS A 15 8.846 6.154 0.066 1.00 33.12 C ATOM 201 CD LYS A 15 10.258 6.676 0.269 1.00 63.12 C ATOM 202 CE LYS A 15 10.302 8.196 0.228 1.00 20.22 C ATOM 203 NZ LYS A 15 11.452 8.696 -0.575 1.00 52.30 N ATOM 0 H LYS A 15 9.464 3.761 0.366 1.00 41.03 H new ATOM 0 HA LYS A 15 7.511 4.130 2.550 1.00 30.42 H new ATOM 0 HB2 LYS A 15 7.285 6.415 1.504 1.00 34.21 H new ATOM 0 HB3 LYS A 15 8.856 6.080 2.203 1.00 34.21 H new ATOM 0 HG2 LYS A 15 8.872 5.269 -0.570 1.00 33.12 H new ATOM 0 HG3 LYS A 15 8.251 6.904 -0.456 1.00 33.12 H new ATOM 0 HD2 LYS A 15 10.642 6.326 1.227 1.00 63.12 H new ATOM 0 HD3 LYS A 15 10.911 6.271 -0.504 1.00 63.12 H new ATOM 0 HE2 LYS A 15 9.372 8.575 -0.195 1.00 20.22 H new ATOM 0 HE3 LYS A 15 10.372 8.585 1.244 1.00 20.22 H new ATOM 0 HZ1 LYS A 15 11.447 9.736 -0.579 1.00 52.30 H new ATOM 0 HZ2 LYS A 15 12.341 8.356 -0.157 1.00 52.30 H new ATOM 0 HZ3 LYS A 15 11.372 8.346 -1.551 1.00 52.30 H new ATOM 217 N ARG A 16 6.782 2.954 -0.191 1.00 3.22 N ATOM 218 CA ARG A 16 5.733 2.541 -1.114 1.00 71.34 C ATOM 219 C ARG A 16 5.407 1.060 -0.939 1.00 51.34 C ATOM 220 O ARG A 16 6.286 0.205 -1.041 1.00 24.11 O ATOM 221 CB ARG A 16 6.158 2.813 -2.558 1.00 64.14 C ATOM 222 CG ARG A 16 6.780 4.185 -2.762 1.00 25.33 C ATOM 223 CD ARG A 16 8.263 4.082 -3.086 1.00 75.23 C ATOM 224 NE ARG A 16 8.833 5.374 -3.457 1.00 13.33 N ATOM 225 CZ ARG A 16 10.137 5.592 -3.589 1.00 75.51 C ATOM 226 NH1 ARG A 16 11.000 4.607 -3.383 1.00 3.12 N ATOM 227 NH2 ARG A 16 10.579 6.796 -3.929 1.00 74.41 N ATOM 0 H ARG A 16 7.618 2.370 -0.214 1.00 3.22 H new ATOM 0 HA ARG A 16 4.838 3.122 -0.890 1.00 71.34 H new ATOM 0 HB2 ARG A 16 6.872 2.050 -2.867 1.00 64.14 H new ATOM 0 HB3 ARG A 16 5.288 2.718 -3.208 1.00 64.14 H new ATOM 0 HG2 ARG A 16 6.265 4.703 -3.571 1.00 25.33 H new ATOM 0 HG3 ARG A 16 6.644 4.785 -1.862 1.00 25.33 H new ATOM 0 HD2 ARG A 16 8.796 3.685 -2.222 1.00 75.23 H new ATOM 0 HD3 ARG A 16 8.407 3.374 -3.902 1.00 75.23 H new ATOM 0 HE ARG A 16 8.195 6.152 -3.624 1.00 13.33 H new ATOM 0 HH11 ARG A 16 10.663 3.680 -3.123 1.00 3.12 H new ATOM 0 HH12 ARG A 16 12.001 4.776 -3.485 1.00 3.12 H new ATOM 0 HH21 ARG A 16 9.917 7.556 -4.089 1.00 74.41 H new ATOM 0 HH22 ARG A 16 11.580 6.962 -4.030 1.00 74.41 H new ATOM 241 N TRP A 17 4.139 0.766 -0.676 1.00 11.53 N ATOM 242 CA TRP A 17 3.697 -0.611 -0.486 1.00 2.40 C ATOM 243 C TRP A 17 2.277 -0.803 -1.006 1.00 30.21 C ATOM 244 O TRP A 17 1.398 0.023 -0.761 1.00 2.41 O ATOM 245 CB TRP A 17 3.768 -0.991 0.994 1.00 72.12 C ATOM 246 CG TRP A 17 5.167 -1.210 1.485 1.00 71.43 C ATOM 247 CD1 TRP A 17 5.948 -0.317 2.160 1.00 10.31 C ATOM 248 CD2 TRP A 17 5.951 -2.399 1.336 1.00 34.32 C ATOM 249 NE1 TRP A 17 7.170 -0.878 2.440 1.00 22.45 N ATOM 250 CE2 TRP A 17 7.197 -2.156 1.946 1.00 13.34 C ATOM 251 CE3 TRP A 17 5.721 -3.646 0.749 1.00 34.42 C ATOM 252 CZ2 TRP A 17 8.207 -3.113 1.984 1.00 73.32 C ATOM 253 CZ3 TRP A 17 6.724 -4.596 0.787 1.00 42.41 C ATOM 254 CH2 TRP A 17 7.954 -4.326 1.401 1.00 2.52 C ATOM 0 H TRP A 17 3.399 1.462 -0.589 1.00 11.53 H new ATOM 0 HA TRP A 17 4.362 -1.262 -1.053 1.00 2.40 H new ATOM 0 HB2 TRP A 17 3.302 -0.204 1.587 1.00 72.12 H new ATOM 0 HB3 TRP A 17 3.187 -1.899 1.157 1.00 72.12 H new ATOM 0 HD1 TRP A 17 5.649 0.684 2.434 1.00 10.31 H new ATOM 0 HE1 TRP A 17 7.934 -0.418 2.935 1.00 22.45 H new ATOM 0 HE3 TRP A 17 4.776 -3.864 0.274 1.00 34.42 H new ATOM 0 HZ2 TRP A 17 9.156 -2.906 2.456 1.00 73.32 H new ATOM 0 HZ3 TRP A 17 6.557 -5.563 0.336 1.00 42.41 H new ATOM 0 HH2 TRP A 17 8.718 -5.090 1.415 1.00 2.52 H new ATOM 265 N VAL A 18 2.058 -1.900 -1.725 1.00 41.40 N ATOM 266 CA VAL A 18 0.743 -2.201 -2.278 1.00 64.15 C ATOM 267 C VAL A 18 0.092 -3.367 -1.543 1.00 54.31 C ATOM 268 O VAL A 18 0.769 -4.156 -0.885 1.00 22.14 O ATOM 269 CB VAL A 18 0.830 -2.539 -3.779 1.00 11.13 C ATOM 270 CG1 VAL A 18 1.410 -1.368 -4.557 1.00 64.12 C ATOM 271 CG2 VAL A 18 1.658 -3.796 -3.994 1.00 65.33 C ATOM 0 H VAL A 18 2.774 -2.594 -1.938 1.00 41.40 H new ATOM 0 HA VAL A 18 0.133 -1.307 -2.149 1.00 64.15 H new ATOM 0 HB VAL A 18 -0.177 -2.727 -4.151 1.00 11.13 H new ATOM 0 HG11 VAL A 18 1.464 -1.625 -5.615 1.00 64.12 H new ATOM 0 HG12 VAL A 18 0.772 -0.494 -4.428 1.00 64.12 H new ATOM 0 HG13 VAL A 18 2.410 -1.145 -4.186 1.00 64.12 H new ATOM 0 HG21 VAL A 18 1.709 -4.020 -5.059 1.00 65.33 H new ATOM 0 HG22 VAL A 18 2.665 -3.639 -3.608 1.00 65.33 H new ATOM 0 HG23 VAL A 18 1.194 -4.631 -3.469 1.00 65.33 H new ATOM 281 N PHE A 19 -1.228 -3.469 -1.660 1.00 31.20 N ATOM 282 CA PHE A 19 -1.973 -4.539 -1.006 1.00 2.23 C ATOM 283 C PHE A 19 -3.019 -5.128 -1.947 1.00 53.42 C ATOM 284 O PHE A 19 -3.635 -4.411 -2.737 1.00 12.21 O ATOM 285 CB PHE A 19 -2.649 -4.016 0.263 1.00 2.15 C ATOM 286 CG PHE A 19 -3.431 -2.752 0.049 1.00 43.52 C ATOM 287 CD1 PHE A 19 -2.791 -1.523 0.015 1.00 60.02 C ATOM 288 CD2 PHE A 19 -4.806 -2.792 -0.118 1.00 44.45 C ATOM 289 CE1 PHE A 19 -3.507 -0.358 -0.183 1.00 15.40 C ATOM 290 CE2 PHE A 19 -5.527 -1.630 -0.317 1.00 12.30 C ATOM 291 CZ PHE A 19 -4.878 -0.411 -0.348 1.00 64.20 C ATOM 0 H PHE A 19 -1.804 -2.824 -2.201 1.00 31.20 H new ATOM 0 HA PHE A 19 -1.269 -5.326 -0.737 1.00 2.23 H new ATOM 0 HB2 PHE A 19 -3.316 -4.785 0.653 1.00 2.15 H new ATOM 0 HB3 PHE A 19 -1.888 -3.839 1.023 1.00 2.15 H new ATOM 0 HD1 PHE A 19 -1.720 -1.475 0.145 1.00 60.02 H new ATOM 0 HD2 PHE A 19 -5.320 -3.742 -0.092 1.00 44.45 H new ATOM 0 HE1 PHE A 19 -2.996 0.593 -0.209 1.00 15.40 H new ATOM 0 HE2 PHE A 19 -6.598 -1.675 -0.448 1.00 12.30 H new ATOM 0 HZ PHE A 19 -5.441 0.498 -0.501 1.00 64.20 H new ATOM 301 N THR A 20 -3.215 -6.440 -1.858 1.00 54.43 N ATOM 302 CA THR A 20 -4.185 -7.126 -2.702 1.00 70.41 C ATOM 303 C THR A 20 -4.767 -8.344 -1.993 1.00 4.24 C ATOM 304 O THR A 20 -4.030 -9.192 -1.487 1.00 44.52 O ATOM 305 CB THR A 20 -3.553 -7.575 -4.033 1.00 70.42 C ATOM 306 OG1 THR A 20 -2.449 -8.451 -3.780 1.00 64.04 O ATOM 307 CG2 THR A 20 -3.081 -6.375 -4.840 1.00 61.30 C ATOM 0 H THR A 20 -2.715 -7.048 -1.210 1.00 54.43 H new ATOM 0 HA THR A 20 -4.983 -6.413 -2.909 1.00 70.41 H new ATOM 0 HB THR A 20 -4.311 -8.105 -4.610 1.00 70.42 H new ATOM 0 HG1 THR A 20 -2.595 -8.925 -2.935 1.00 64.04 H new ATOM 0 HG21 THR A 20 -2.638 -6.717 -5.776 1.00 61.30 H new ATOM 0 HG22 THR A 20 -3.929 -5.725 -5.056 1.00 61.30 H new ATOM 0 HG23 THR A 20 -2.337 -5.822 -4.267 1.00 61.30 H new ATOM 315 N LEU A 21 -6.092 -8.426 -1.959 1.00 10.45 N ATOM 316 CA LEU A 21 -6.773 -9.541 -1.311 1.00 33.21 C ATOM 317 C LEU A 21 -7.986 -9.984 -2.123 1.00 63.54 C ATOM 318 O LEU A 21 -8.746 -9.157 -2.624 1.00 42.12 O ATOM 319 CB LEU A 21 -7.208 -9.148 0.102 1.00 31.00 C ATOM 320 CG LEU A 21 -7.781 -10.273 0.965 1.00 3.34 C ATOM 321 CD1 LEU A 21 -6.780 -10.690 2.032 1.00 45.44 C ATOM 322 CD2 LEU A 21 -9.093 -9.840 1.603 1.00 22.13 C ATOM 0 H LEU A 21 -6.716 -7.734 -2.373 1.00 10.45 H new ATOM 0 HA LEU A 21 -6.074 -10.375 -1.251 1.00 33.21 H new ATOM 0 HB2 LEU A 21 -6.349 -8.722 0.620 1.00 31.00 H new ATOM 0 HB3 LEU A 21 -7.957 -8.360 0.024 1.00 31.00 H new ATOM 0 HG LEU A 21 -7.977 -11.133 0.324 1.00 3.34 H new ATOM 0 HD11 LEU A 21 -7.205 -11.491 2.636 1.00 45.44 H new ATOM 0 HD12 LEU A 21 -5.865 -11.041 1.555 1.00 45.44 H new ATOM 0 HD13 LEU A 21 -6.552 -9.836 2.670 1.00 45.44 H new ATOM 0 HD21 LEU A 21 -9.486 -10.653 2.213 1.00 22.13 H new ATOM 0 HD22 LEU A 21 -8.921 -8.965 2.230 1.00 22.13 H new ATOM 0 HD23 LEU A 21 -9.812 -9.591 0.823 1.00 22.13 H new ATOM 334 N ASN A 22 -8.161 -11.296 -2.248 1.00 22.10 N ATOM 335 CA ASN A 22 -9.282 -11.850 -2.998 1.00 51.33 C ATOM 336 C ASN A 22 -10.521 -11.969 -2.116 1.00 11.01 C ATOM 337 O ASN A 22 -10.444 -12.433 -0.979 1.00 64.34 O ATOM 338 CB ASN A 22 -8.914 -13.221 -3.568 1.00 71.20 C ATOM 339 CG ASN A 22 -10.011 -13.797 -4.443 1.00 21.24 C ATOM 340 OD1 ASN A 22 -11.128 -14.032 -3.982 1.00 54.42 O ATOM 341 ND2 ASN A 22 -9.695 -14.028 -5.712 1.00 34.54 N ATOM 0 H ASN A 22 -7.541 -11.995 -1.839 1.00 22.10 H new ATOM 0 HA ASN A 22 -9.507 -11.171 -3.820 1.00 51.33 H new ATOM 0 HB2 ASN A 22 -7.996 -13.135 -4.150 1.00 71.20 H new ATOM 0 HB3 ASN A 22 -8.708 -13.909 -2.748 1.00 71.20 H new ATOM 0 HD21 ASN A 22 -10.391 -14.416 -6.348 1.00 34.54 H new ATOM 0 HD22 ASN A 22 -8.756 -13.818 -6.050 1.00 34.54 H new ATOM 348 N ASN A 23 -11.663 -11.547 -2.649 1.00 11.33 N ATOM 349 CA ASN A 23 -12.919 -11.606 -1.910 1.00 72.20 C ATOM 350 C ASN A 23 -12.777 -10.948 -0.541 1.00 42.10 C ATOM 351 O ASN A 23 -12.829 -11.604 0.499 1.00 33.14 O ATOM 352 CB ASN A 23 -13.370 -13.059 -1.745 1.00 61.04 C ATOM 353 CG ASN A 23 -14.708 -13.173 -1.042 1.00 13.05 C ATOM 354 OD1 ASN A 23 -14.865 -13.956 -0.105 1.00 22.14 O ATOM 355 ND2 ASN A 23 -15.682 -12.390 -1.491 1.00 42.25 N ATOM 0 H ASN A 23 -11.745 -11.161 -3.589 1.00 11.33 H new ATOM 0 HA ASN A 23 -13.672 -11.061 -2.479 1.00 72.20 H new ATOM 0 HB2 ASN A 23 -13.437 -13.529 -2.726 1.00 61.04 H new ATOM 0 HB3 ASN A 23 -12.617 -13.608 -1.179 1.00 61.04 H new ATOM 0 HD21 ASN A 23 -16.604 -12.423 -1.056 1.00 42.25 H new ATOM 0 HD22 ASN A 23 -15.508 -11.756 -2.270 1.00 42.25 H new ATOM 362 N PRO A 24 -12.593 -9.619 -0.540 1.00 22.34 N ATOM 363 CA PRO A 24 -12.440 -8.843 0.694 1.00 13.42 C ATOM 364 C PRO A 24 -13.737 -8.762 1.493 1.00 61.33 C ATOM 365 O PRO A 24 -14.825 -8.688 0.922 1.00 60.01 O ATOM 366 CB PRO A 24 -12.035 -7.455 0.192 1.00 50.43 C ATOM 367 CG PRO A 24 -12.586 -7.376 -1.190 1.00 14.00 C ATOM 368 CD PRO A 24 -12.520 -8.773 -1.742 1.00 50.15 C ATOM 0 HA PRO A 24 -11.716 -9.295 1.372 1.00 13.42 H new ATOM 0 HB2 PRO A 24 -12.445 -6.669 0.827 1.00 50.43 H new ATOM 0 HB3 PRO A 24 -10.952 -7.334 0.194 1.00 50.43 H new ATOM 0 HG2 PRO A 24 -13.612 -7.008 -1.181 1.00 14.00 H new ATOM 0 HG3 PRO A 24 -12.006 -6.686 -1.803 1.00 14.00 H new ATOM 0 HD2 PRO A 24 -13.345 -8.974 -2.426 1.00 50.15 H new ATOM 0 HD3 PRO A 24 -11.597 -8.942 -2.297 1.00 50.15 H new ATOM 376 N SER A 25 -13.613 -8.777 2.816 1.00 35.40 N ATOM 377 CA SER A 25 -14.777 -8.710 3.693 1.00 5.31 C ATOM 378 C SER A 25 -15.090 -7.265 4.069 1.00 51.31 C ATOM 379 O SER A 25 -14.296 -6.360 3.814 1.00 24.24 O ATOM 380 CB SER A 25 -14.537 -9.537 4.958 1.00 50.05 C ATOM 381 OG SER A 25 -15.368 -10.685 4.981 1.00 43.21 O ATOM 0 H SER A 25 -12.719 -8.835 3.304 1.00 35.40 H new ATOM 0 HA SER A 25 -15.631 -9.121 3.155 1.00 5.31 H new ATOM 0 HB2 SER A 25 -13.491 -9.840 5.005 1.00 50.05 H new ATOM 0 HB3 SER A 25 -14.732 -8.925 5.839 1.00 50.05 H new ATOM 0 HG SER A 25 -15.195 -11.198 5.798 1.00 43.21 H new ATOM 387 N GLU A 26 -16.254 -7.057 4.676 1.00 54.00 N ATOM 388 CA GLU A 26 -16.674 -5.722 5.086 1.00 22.02 C ATOM 389 C GLU A 26 -15.795 -5.200 6.219 1.00 42.30 C ATOM 390 O GLU A 26 -15.585 -3.994 6.351 1.00 54.31 O ATOM 391 CB GLU A 26 -18.139 -5.737 5.528 1.00 43.31 C ATOM 392 CG GLU A 26 -19.068 -4.998 4.579 1.00 21.13 C ATOM 393 CD GLU A 26 -20.233 -4.343 5.296 1.00 63.12 C ATOM 394 OE1 GLU A 26 -20.913 -5.038 6.079 1.00 30.23 O ATOM 395 OE2 GLU A 26 -20.464 -3.136 5.073 1.00 32.53 O ATOM 0 H GLU A 26 -16.923 -7.795 4.895 1.00 54.00 H new ATOM 0 HA GLU A 26 -16.567 -5.056 4.230 1.00 22.02 H new ATOM 0 HB2 GLU A 26 -18.472 -6.771 5.618 1.00 43.31 H new ATOM 0 HB3 GLU A 26 -18.215 -5.290 6.519 1.00 43.31 H new ATOM 0 HG2 GLU A 26 -18.502 -4.237 4.042 1.00 21.13 H new ATOM 0 HG3 GLU A 26 -19.450 -5.696 3.834 1.00 21.13 H new ATOM 402 N ASP A 27 -15.284 -6.116 7.034 1.00 41.01 N ATOM 403 CA ASP A 27 -14.427 -5.749 8.156 1.00 71.35 C ATOM 404 C ASP A 27 -13.028 -5.379 7.672 1.00 13.05 C ATOM 405 O ASP A 27 -12.455 -4.381 8.108 1.00 33.24 O ATOM 406 CB ASP A 27 -14.345 -6.900 9.160 1.00 14.20 C ATOM 407 CG ASP A 27 -14.539 -6.435 10.590 1.00 50.21 C ATOM 408 OD1 ASP A 27 -13.634 -5.758 11.121 1.00 52.42 O ATOM 409 OD2 ASP A 27 -15.595 -6.749 11.178 1.00 11.35 O ATOM 0 H ASP A 27 -15.448 -7.118 6.939 1.00 41.01 H new ATOM 0 HA ASP A 27 -14.864 -4.880 8.647 1.00 71.35 H new ATOM 0 HB2 ASP A 27 -15.103 -7.645 8.917 1.00 14.20 H new ATOM 0 HB3 ASP A 27 -13.376 -7.390 9.069 1.00 14.20 H new ATOM 414 N GLU A 28 -12.485 -6.191 6.771 1.00 41.33 N ATOM 415 CA GLU A 28 -11.152 -5.948 6.231 1.00 73.54 C ATOM 416 C GLU A 28 -11.101 -4.619 5.484 1.00 54.24 C ATOM 417 O GLU A 28 -10.206 -3.804 5.706 1.00 42.21 O ATOM 418 CB GLU A 28 -10.742 -7.088 5.295 1.00 52.41 C ATOM 419 CG GLU A 28 -9.341 -7.615 5.556 1.00 53.14 C ATOM 420 CD GLU A 28 -8.267 -6.764 4.907 1.00 53.54 C ATOM 421 OE1 GLU A 28 -7.928 -5.703 5.471 1.00 13.25 O ATOM 422 OE2 GLU A 28 -7.766 -7.159 3.833 1.00 3.13 O ATOM 0 H GLU A 28 -12.946 -7.022 6.400 1.00 41.33 H new ATOM 0 HA GLU A 28 -10.452 -5.902 7.066 1.00 73.54 H new ATOM 0 HB2 GLU A 28 -11.454 -7.906 5.399 1.00 52.41 H new ATOM 0 HB3 GLU A 28 -10.804 -6.740 4.264 1.00 52.41 H new ATOM 0 HG2 GLU A 28 -9.167 -7.656 6.631 1.00 53.14 H new ATOM 0 HG3 GLU A 28 -9.265 -8.636 5.182 1.00 53.14 H new ATOM 429 N ARG A 29 -12.068 -4.408 4.597 1.00 54.42 N ATOM 430 CA ARG A 29 -12.133 -3.178 3.815 1.00 35.54 C ATOM 431 C ARG A 29 -12.374 -1.972 4.718 1.00 22.25 C ATOM 432 O ARG A 29 -11.901 -0.870 4.440 1.00 73.03 O ATOM 433 CB ARG A 29 -13.244 -3.274 2.767 1.00 4.52 C ATOM 434 CG ARG A 29 -12.962 -4.290 1.672 1.00 12.34 C ATOM 435 CD ARG A 29 -14.249 -4.821 1.061 1.00 33.14 C ATOM 436 NE ARG A 29 -15.057 -3.756 0.473 1.00 3.44 N ATOM 437 CZ ARG A 29 -16.280 -3.942 -0.009 1.00 53.31 C ATOM 438 NH1 ARG A 29 -16.835 -5.146 0.027 1.00 44.42 N ATOM 439 NH2 ARG A 29 -16.952 -2.922 -0.528 1.00 72.14 N ATOM 0 H ARG A 29 -12.817 -5.072 4.402 1.00 54.42 H new ATOM 0 HA ARG A 29 -11.176 -3.046 3.310 1.00 35.54 H new ATOM 0 HB2 ARG A 29 -14.178 -3.537 3.263 1.00 4.52 H new ATOM 0 HB3 ARG A 29 -13.389 -2.294 2.313 1.00 4.52 H new ATOM 0 HG2 ARG A 29 -12.352 -3.829 0.895 1.00 12.34 H new ATOM 0 HG3 ARG A 29 -12.384 -5.118 2.082 1.00 12.34 H new ATOM 0 HD2 ARG A 29 -14.009 -5.559 0.295 1.00 33.14 H new ATOM 0 HD3 ARG A 29 -14.829 -5.335 1.828 1.00 33.14 H new ATOM 0 HE ARG A 29 -14.660 -2.817 0.430 1.00 3.44 H new ATOM 0 HH11 ARG A 29 -16.322 -5.932 0.426 1.00 44.42 H new ATOM 0 HH12 ARG A 29 -17.775 -5.286 -0.344 1.00 44.42 H new ATOM 0 HH21 ARG A 29 -16.529 -1.994 -0.557 1.00 72.14 H new ATOM 0 HH22 ARG A 29 -17.892 -3.066 -0.898 1.00 72.14 H new ATOM 453 N LYS A 30 -13.112 -2.189 5.802 1.00 52.53 N ATOM 454 CA LYS A 30 -13.416 -1.121 6.747 1.00 3.31 C ATOM 455 C LYS A 30 -12.169 -0.711 7.524 1.00 24.21 C ATOM 456 O LYS A 30 -11.940 0.473 7.773 1.00 71.22 O ATOM 457 CB LYS A 30 -14.511 -1.567 7.718 1.00 22.53 C ATOM 458 CG LYS A 30 -14.811 -0.551 8.806 1.00 4.13 C ATOM 459 CD LYS A 30 -16.267 -0.607 9.236 1.00 51.35 C ATOM 460 CE LYS A 30 -17.146 0.250 8.337 1.00 11.24 C ATOM 461 NZ LYS A 30 -17.867 1.302 9.107 1.00 60.21 N ATOM 0 H LYS A 30 -13.511 -3.095 6.048 1.00 52.53 H new ATOM 0 HA LYS A 30 -13.770 -0.259 6.181 1.00 3.31 H new ATOM 0 HB2 LYS A 30 -15.424 -1.765 7.156 1.00 22.53 H new ATOM 0 HB3 LYS A 30 -14.212 -2.507 8.183 1.00 22.53 H new ATOM 0 HG2 LYS A 30 -14.169 -0.738 9.667 1.00 4.13 H new ATOM 0 HG3 LYS A 30 -14.576 0.450 8.445 1.00 4.13 H new ATOM 0 HD2 LYS A 30 -16.616 -1.639 9.211 1.00 51.35 H new ATOM 0 HD3 LYS A 30 -16.357 -0.265 10.267 1.00 51.35 H new ATOM 0 HE2 LYS A 30 -16.532 0.719 7.569 1.00 11.24 H new ATOM 0 HE3 LYS A 30 -17.869 -0.384 7.824 1.00 11.24 H new ATOM 0 HZ1 LYS A 30 -18.455 1.865 8.459 1.00 60.21 H new ATOM 0 HZ2 LYS A 30 -18.473 0.854 9.824 1.00 60.21 H new ATOM 0 HZ3 LYS A 30 -17.177 1.923 9.576 1.00 60.21 H new ATOM 475 N LYS A 31 -11.363 -1.697 7.904 1.00 34.51 N ATOM 476 CA LYS A 31 -10.137 -1.440 8.650 1.00 34.53 C ATOM 477 C LYS A 31 -9.172 -0.588 7.833 1.00 2.25 C ATOM 478 O LYS A 31 -8.690 0.443 8.304 1.00 42.25 O ATOM 479 CB LYS A 31 -9.466 -2.760 9.039 1.00 52.14 C ATOM 480 CG LYS A 31 -8.070 -2.587 9.610 1.00 45.22 C ATOM 481 CD LYS A 31 -7.506 -3.905 10.115 1.00 15.52 C ATOM 482 CE LYS A 31 -6.041 -4.064 9.742 1.00 63.23 C ATOM 483 NZ LYS A 31 -5.153 -3.252 10.619 1.00 30.35 N ATOM 0 H LYS A 31 -11.537 -2.683 7.707 1.00 34.51 H new ATOM 0 HA LYS A 31 -10.400 -0.893 9.555 1.00 34.53 H new ATOM 0 HB2 LYS A 31 -10.089 -3.272 9.773 1.00 52.14 H new ATOM 0 HB3 LYS A 31 -9.413 -3.404 8.161 1.00 52.14 H new ATOM 0 HG2 LYS A 31 -7.411 -2.178 8.844 1.00 45.22 H new ATOM 0 HG3 LYS A 31 -8.097 -1.865 10.426 1.00 45.22 H new ATOM 0 HD2 LYS A 31 -7.614 -3.957 11.198 1.00 15.52 H new ATOM 0 HD3 LYS A 31 -8.081 -4.732 9.697 1.00 15.52 H new ATOM 0 HE2 LYS A 31 -5.760 -5.115 9.814 1.00 63.23 H new ATOM 0 HE3 LYS A 31 -5.896 -3.766 8.704 1.00 63.23 H new ATOM 0 HZ1 LYS A 31 -4.268 -3.039 10.115 1.00 30.35 H new ATOM 0 HZ2 LYS A 31 -5.631 -2.363 10.870 1.00 30.35 H new ATOM 0 HZ3 LYS A 31 -4.938 -3.786 11.485 1.00 30.35 H new ATOM 497 N ILE A 32 -8.895 -1.024 6.609 1.00 11.32 N ATOM 498 CA ILE A 32 -7.989 -0.298 5.727 1.00 34.41 C ATOM 499 C ILE A 32 -8.568 1.058 5.339 1.00 35.04 C ATOM 500 O ILE A 32 -7.849 2.054 5.267 1.00 25.03 O ATOM 501 CB ILE A 32 -7.688 -1.100 4.447 1.00 21.12 C ATOM 502 CG1 ILE A 32 -6.660 -2.196 4.736 1.00 72.20 C ATOM 503 CG2 ILE A 32 -7.188 -0.175 3.348 1.00 54.42 C ATOM 504 CD1 ILE A 32 -6.388 -3.097 3.551 1.00 12.24 C ATOM 0 H ILE A 32 -9.285 -1.876 6.205 1.00 11.32 H new ATOM 0 HA ILE A 32 -7.062 -0.149 6.280 1.00 34.41 H new ATOM 0 HB ILE A 32 -8.610 -1.572 4.107 1.00 21.12 H new ATOM 0 HG12 ILE A 32 -5.725 -1.732 5.052 1.00 72.20 H new ATOM 0 HG13 ILE A 32 -7.012 -2.803 5.570 1.00 72.20 H new ATOM 0 HG21 ILE A 32 -6.980 -0.756 2.450 1.00 54.42 H new ATOM 0 HG22 ILE A 32 -7.950 0.573 3.127 1.00 54.42 H new ATOM 0 HG23 ILE A 32 -6.276 0.322 3.678 1.00 54.42 H new ATOM 0 HD11 ILE A 32 -5.650 -3.850 3.828 1.00 12.24 H new ATOM 0 HD12 ILE A 32 -7.312 -3.589 3.248 1.00 12.24 H new ATOM 0 HD13 ILE A 32 -6.005 -2.502 2.722 1.00 12.24 H new ATOM 516 N ARG A 33 -9.874 1.089 5.092 1.00 0.15 N ATOM 517 CA ARG A 33 -10.550 2.323 4.713 1.00 55.52 C ATOM 518 C ARG A 33 -10.647 3.278 5.900 1.00 61.24 C ATOM 519 O ARG A 33 -10.827 4.483 5.726 1.00 2.35 O ATOM 520 CB ARG A 33 -11.950 2.019 4.175 1.00 63.51 C ATOM 521 CG ARG A 33 -12.771 3.262 3.874 1.00 62.32 C ATOM 522 CD ARG A 33 -13.971 2.938 2.997 1.00 4.14 C ATOM 523 NE ARG A 33 -15.214 2.906 3.762 1.00 14.42 N ATOM 524 CZ ARG A 33 -16.420 2.940 3.206 1.00 72.41 C ATOM 525 NH1 ARG A 33 -16.544 3.005 1.887 1.00 31.44 N ATOM 526 NH2 ARG A 33 -17.505 2.907 3.969 1.00 53.11 N ATOM 0 H ARG A 33 -10.484 0.274 5.148 1.00 0.15 H new ATOM 0 HA ARG A 33 -9.963 2.802 3.930 1.00 55.52 H new ATOM 0 HB2 ARG A 33 -11.859 1.425 3.266 1.00 63.51 H new ATOM 0 HB3 ARG A 33 -12.485 1.408 4.903 1.00 63.51 H new ATOM 0 HG2 ARG A 33 -13.112 3.709 4.808 1.00 62.32 H new ATOM 0 HG3 ARG A 33 -12.144 4.002 3.376 1.00 62.32 H new ATOM 0 HD2 ARG A 33 -14.052 3.682 2.204 1.00 4.14 H new ATOM 0 HD3 ARG A 33 -13.817 1.973 2.514 1.00 4.14 H new ATOM 0 HE ARG A 33 -15.153 2.855 4.779 1.00 14.42 H new ATOM 0 HH11 ARG A 33 -15.712 3.029 1.297 1.00 31.44 H new ATOM 0 HH12 ARG A 33 -17.471 3.031 1.463 1.00 31.44 H new ATOM 0 HH21 ARG A 33 -17.414 2.855 4.984 1.00 53.11 H new ATOM 0 HH22 ARG A 33 -18.430 2.933 3.541 1.00 53.11 H new ATOM 540 N ASP A 34 -10.527 2.730 7.104 1.00 63.13 N ATOM 541 CA ASP A 34 -10.600 3.532 8.319 1.00 3.05 C ATOM 542 C ASP A 34 -9.204 3.827 8.861 1.00 72.42 C ATOM 543 O ASP A 34 -9.053 4.352 9.964 1.00 0.25 O ATOM 544 CB ASP A 34 -11.431 2.812 9.382 1.00 21.41 C ATOM 545 CG ASP A 34 -11.782 3.711 10.551 1.00 51.33 C ATOM 546 OD1 ASP A 34 -12.660 4.584 10.385 1.00 42.51 O ATOM 547 OD2 ASP A 34 -11.180 3.542 11.631 1.00 20.23 O ATOM 0 H ASP A 34 -10.379 1.734 7.264 1.00 63.13 H new ATOM 0 HA ASP A 34 -11.082 4.478 8.071 1.00 3.05 H new ATOM 0 HB2 ASP A 34 -12.348 2.436 8.929 1.00 21.41 H new ATOM 0 HB3 ASP A 34 -10.878 1.947 9.747 1.00 21.41 H new ATOM 552 N LEU A 35 -8.187 3.484 8.078 1.00 72.21 N ATOM 553 CA LEU A 35 -6.803 3.710 8.479 1.00 40.42 C ATOM 554 C LEU A 35 -6.490 5.202 8.538 1.00 54.21 C ATOM 555 O LEU A 35 -7.184 6.031 7.947 1.00 24.42 O ATOM 556 CB LEU A 35 -5.849 3.016 7.505 1.00 12.11 C ATOM 557 CG LEU A 35 -5.586 1.533 7.766 1.00 72.40 C ATOM 558 CD1 LEU A 35 -4.751 0.933 6.645 1.00 2.44 C ATOM 559 CD2 LEU A 35 -4.896 1.341 9.109 1.00 53.42 C ATOM 0 H LEU A 35 -8.295 3.048 7.162 1.00 72.21 H new ATOM 0 HA LEU A 35 -6.666 3.289 9.475 1.00 40.42 H new ATOM 0 HB2 LEU A 35 -6.251 3.121 6.497 1.00 12.11 H new ATOM 0 HB3 LEU A 35 -4.895 3.543 7.525 1.00 12.11 H new ATOM 0 HG LEU A 35 -6.544 1.014 7.795 1.00 72.40 H new ATOM 0 HD11 LEU A 35 -4.574 -0.123 6.848 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -5.283 1.036 5.699 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -3.796 1.455 6.583 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -4.717 0.279 9.278 1.00 53.42 H new ATOM 0 HD22 LEU A 35 -3.945 1.874 9.109 1.00 53.42 H new ATOM 0 HD23 LEU A 35 -5.531 1.732 9.904 1.00 53.42 H new ATOM 571 N PRO A 36 -5.420 5.554 9.266 1.00 14.50 N ATOM 572 CA PRO A 36 -4.990 6.948 9.417 1.00 23.53 C ATOM 573 C PRO A 36 -4.421 7.522 8.124 1.00 15.33 C ATOM 574 O PRO A 36 -3.425 7.025 7.598 1.00 35.11 O ATOM 575 CB PRO A 36 -3.901 6.868 10.491 1.00 73.43 C ATOM 576 CG PRO A 36 -3.378 5.476 10.397 1.00 35.22 C ATOM 577 CD PRO A 36 -4.548 4.620 9.997 1.00 33.01 C ATOM 0 HA PRO A 36 -5.820 7.605 9.679 1.00 23.53 H new ATOM 0 HB2 PRO A 36 -3.113 7.600 10.311 1.00 73.43 H new ATOM 0 HB3 PRO A 36 -4.306 7.073 11.482 1.00 73.43 H new ATOM 0 HG2 PRO A 36 -2.576 5.409 9.662 1.00 35.22 H new ATOM 0 HG3 PRO A 36 -2.964 5.150 11.351 1.00 35.22 H new ATOM 0 HD2 PRO A 36 -4.238 3.784 9.369 1.00 33.01 H new ATOM 0 HD3 PRO A 36 -5.052 4.196 10.866 1.00 33.01 H new ATOM 585 N ILE A 37 -5.060 8.572 7.618 1.00 71.41 N ATOM 586 CA ILE A 37 -4.616 9.214 6.387 1.00 14.31 C ATOM 587 C ILE A 37 -3.298 9.951 6.596 1.00 1.33 C ATOM 588 O ILE A 37 -2.468 10.029 5.691 1.00 41.03 O ATOM 589 CB ILE A 37 -5.669 10.208 5.860 1.00 63.43 C ATOM 590 CG1 ILE A 37 -6.094 11.171 6.970 1.00 44.34 C ATOM 591 CG2 ILE A 37 -6.874 9.460 5.310 1.00 71.32 C ATOM 592 CD1 ILE A 37 -7.017 12.271 6.494 1.00 1.11 C ATOM 0 H ILE A 37 -5.886 8.996 8.041 1.00 71.41 H new ATOM 0 HA ILE A 37 -4.474 8.422 5.651 1.00 14.31 H new ATOM 0 HB ILE A 37 -5.226 10.789 5.051 1.00 63.43 H new ATOM 0 HG12 ILE A 37 -6.591 10.607 7.759 1.00 44.34 H new ATOM 0 HG13 ILE A 37 -5.204 11.620 7.411 1.00 44.34 H new ATOM 0 HG21 ILE A 37 -7.609 10.175 4.941 1.00 71.32 H new ATOM 0 HG22 ILE A 37 -6.558 8.811 4.493 1.00 71.32 H new ATOM 0 HG23 ILE A 37 -7.320 8.857 6.101 1.00 71.32 H new ATOM 0 HD11 ILE A 37 -7.278 12.916 7.333 1.00 1.11 H new ATOM 0 HD12 ILE A 37 -6.516 12.860 5.726 1.00 1.11 H new ATOM 0 HD13 ILE A 37 -7.924 11.831 6.079 1.00 1.11 H new ATOM 604 N SER A 38 -3.111 10.490 7.797 1.00 33.22 N ATOM 605 CA SER A 38 -1.894 11.223 8.126 1.00 71.45 C ATOM 606 C SER A 38 -0.692 10.284 8.176 1.00 50.42 C ATOM 607 O SER A 38 0.456 10.721 8.082 1.00 11.34 O ATOM 608 CB SER A 38 -2.052 11.940 9.467 1.00 1.15 C ATOM 609 OG SER A 38 -2.223 11.012 10.525 1.00 41.31 O ATOM 0 H SER A 38 -3.787 10.433 8.558 1.00 33.22 H new ATOM 0 HA SER A 38 -1.722 11.964 7.345 1.00 71.45 H new ATOM 0 HB2 SER A 38 -1.174 12.557 9.659 1.00 1.15 H new ATOM 0 HB3 SER A 38 -2.910 12.611 9.425 1.00 1.15 H new ATOM 0 HG SER A 38 -2.320 11.496 11.372 1.00 41.31 H new ATOM 615 N LEU A 39 -0.964 8.993 8.324 1.00 22.42 N ATOM 616 CA LEU A 39 0.094 7.990 8.387 1.00 4.41 C ATOM 617 C LEU A 39 0.698 7.749 7.007 1.00 22.44 C ATOM 618 O LEU A 39 1.868 7.385 6.885 1.00 21.12 O ATOM 619 CB LEU A 39 -0.451 6.679 8.955 1.00 73.15 C ATOM 620 CG LEU A 39 0.510 5.875 9.830 1.00 23.23 C ATOM 621 CD1 LEU A 39 -0.235 5.232 10.990 1.00 45.00 C ATOM 622 CD2 LEU A 39 1.228 4.818 9.003 1.00 34.24 C ATOM 0 H LEU A 39 -1.908 8.615 8.403 1.00 22.42 H new ATOM 0 HA LEU A 39 0.877 8.365 9.046 1.00 4.41 H new ATOM 0 HB2 LEU A 39 -1.343 6.903 9.541 1.00 73.15 H new ATOM 0 HB3 LEU A 39 -0.766 6.049 8.123 1.00 73.15 H new ATOM 0 HG LEU A 39 1.256 6.557 10.238 1.00 23.23 H new ATOM 0 HD11 LEU A 39 0.465 4.664 11.602 1.00 45.00 H new ATOM 0 HD12 LEU A 39 -0.701 6.008 11.598 1.00 45.00 H new ATOM 0 HD13 LEU A 39 -1.004 4.563 10.603 1.00 45.00 H new ATOM 0 HD21 LEU A 39 1.908 4.255 9.643 1.00 34.24 H new ATOM 0 HD22 LEU A 39 0.496 4.139 8.566 1.00 34.24 H new ATOM 0 HD23 LEU A 39 1.795 5.302 8.207 1.00 34.24 H new ATOM 634 N PHE A 40 -0.107 7.955 5.970 1.00 1.05 N ATOM 635 CA PHE A 40 0.348 7.761 4.599 1.00 61.33 C ATOM 636 C PHE A 40 0.161 9.034 3.778 1.00 25.34 C ATOM 637 O PHE A 40 -0.959 9.514 3.603 1.00 23.33 O ATOM 638 CB PHE A 40 -0.411 6.604 3.946 1.00 75.00 C ATOM 639 CG PHE A 40 -0.640 5.441 4.868 1.00 31.33 C ATOM 640 CD1 PHE A 40 -1.741 5.412 5.709 1.00 52.12 C ATOM 641 CD2 PHE A 40 0.246 4.376 4.894 1.00 33.33 C ATOM 642 CE1 PHE A 40 -1.953 4.343 6.559 1.00 54.30 C ATOM 643 CE2 PHE A 40 0.039 3.304 5.742 1.00 34.21 C ATOM 644 CZ PHE A 40 -1.063 3.287 6.575 1.00 51.32 C ATOM 0 H PHE A 40 -1.078 8.256 6.053 1.00 1.05 H new ATOM 0 HA PHE A 40 1.411 7.520 4.626 1.00 61.33 H new ATOM 0 HB2 PHE A 40 -1.374 6.968 3.587 1.00 75.00 H new ATOM 0 HB3 PHE A 40 0.145 6.262 3.073 1.00 75.00 H new ATOM 0 HD1 PHE A 40 -2.441 6.234 5.700 1.00 52.12 H new ATOM 0 HD2 PHE A 40 1.109 4.383 4.244 1.00 33.33 H new ATOM 0 HE1 PHE A 40 -2.814 4.333 7.210 1.00 54.30 H new ATOM 0 HE2 PHE A 40 0.738 2.481 5.753 1.00 34.21 H new ATOM 0 HZ PHE A 40 -1.228 2.450 7.237 1.00 51.32 H new ATOM 654 N ASP A 41 1.267 9.575 3.279 1.00 53.44 N ATOM 655 CA ASP A 41 1.226 10.792 2.476 1.00 4.52 C ATOM 656 C ASP A 41 0.267 10.637 1.300 1.00 21.53 C ATOM 657 O ASP A 41 -0.271 11.620 0.790 1.00 24.32 O ATOM 658 CB ASP A 41 2.626 11.139 1.966 1.00 10.11 C ATOM 659 CG ASP A 41 3.262 12.272 2.747 1.00 45.34 C ATOM 660 OD1 ASP A 41 2.560 13.265 3.030 1.00 32.44 O ATOM 661 OD2 ASP A 41 4.464 12.167 3.073 1.00 55.21 O ATOM 0 H ASP A 41 2.202 9.191 3.416 1.00 53.44 H new ATOM 0 HA ASP A 41 0.866 11.603 3.109 1.00 4.52 H new ATOM 0 HB2 ASP A 41 3.262 10.256 2.029 1.00 10.11 H new ATOM 0 HB3 ASP A 41 2.568 11.415 0.913 1.00 10.11 H new ATOM 666 N TYR A 42 0.058 9.396 0.875 1.00 61.23 N ATOM 667 CA TYR A 42 -0.834 9.111 -0.243 1.00 45.34 C ATOM 668 C TYR A 42 -1.512 7.756 -0.068 1.00 12.31 C ATOM 669 O TYR A 42 -0.848 6.731 0.088 1.00 1.51 O ATOM 670 CB TYR A 42 -0.058 9.139 -1.561 1.00 63.34 C ATOM 671 CG TYR A 42 -0.902 8.796 -2.768 1.00 42.42 C ATOM 672 CD1 TYR A 42 -2.197 9.285 -2.896 1.00 25.43 C ATOM 673 CD2 TYR A 42 -0.405 7.984 -3.780 1.00 55.43 C ATOM 674 CE1 TYR A 42 -2.972 8.974 -3.996 1.00 41.11 C ATOM 675 CE2 TYR A 42 -1.173 7.670 -4.885 1.00 31.11 C ATOM 676 CZ TYR A 42 -2.456 8.167 -4.988 1.00 64.12 C ATOM 677 OH TYR A 42 -3.224 7.855 -6.086 1.00 61.33 O ATOM 0 H TYR A 42 0.494 8.571 1.288 1.00 61.23 H new ATOM 0 HA TYR A 42 -1.604 9.882 -0.266 1.00 45.34 H new ATOM 0 HB2 TYR A 42 0.372 10.131 -1.699 1.00 63.34 H new ATOM 0 HB3 TYR A 42 0.774 8.437 -1.498 1.00 63.34 H new ATOM 0 HD1 TYR A 42 -2.604 9.919 -2.122 1.00 25.43 H new ATOM 0 HD2 TYR A 42 0.598 7.592 -3.702 1.00 55.43 H new ATOM 0 HE1 TYR A 42 -3.977 9.361 -4.079 1.00 41.11 H new ATOM 0 HE2 TYR A 42 -0.771 7.039 -5.664 1.00 31.11 H new ATOM 0 HH TYR A 42 -4.170 7.998 -5.875 1.00 61.33 H new ATOM 687 N PHE A 43 -2.841 7.759 -0.095 1.00 42.53 N ATOM 688 CA PHE A 43 -3.612 6.531 0.061 1.00 43.51 C ATOM 689 C PHE A 43 -4.709 6.440 -0.996 1.00 21.05 C ATOM 690 O PHE A 43 -5.623 7.265 -1.030 1.00 24.24 O ATOM 691 CB PHE A 43 -4.228 6.466 1.460 1.00 72.32 C ATOM 692 CG PHE A 43 -4.237 5.083 2.047 1.00 44.23 C ATOM 693 CD1 PHE A 43 -4.283 3.968 1.226 1.00 71.01 C ATOM 694 CD2 PHE A 43 -4.199 4.899 3.419 1.00 25.15 C ATOM 695 CE1 PHE A 43 -4.291 2.694 1.763 1.00 44.33 C ATOM 696 CE2 PHE A 43 -4.205 3.628 3.962 1.00 73.20 C ATOM 697 CZ PHE A 43 -4.253 2.524 3.133 1.00 43.13 C ATOM 0 H PHE A 43 -3.406 8.598 -0.223 1.00 42.53 H new ATOM 0 HA PHE A 43 -2.935 5.686 -0.070 1.00 43.51 H new ATOM 0 HB2 PHE A 43 -3.674 7.130 2.123 1.00 72.32 H new ATOM 0 HB3 PHE A 43 -5.251 6.840 1.416 1.00 72.32 H new ATOM 0 HD1 PHE A 43 -4.313 4.095 0.154 1.00 71.01 H new ATOM 0 HD2 PHE A 43 -4.164 5.758 4.072 1.00 25.15 H new ATOM 0 HE1 PHE A 43 -4.327 1.833 1.112 1.00 44.33 H new ATOM 0 HE2 PHE A 43 -4.172 3.498 5.034 1.00 73.20 H new ATOM 0 HZ PHE A 43 -4.261 1.530 3.555 1.00 43.13 H new ATOM 707 N ILE A 44 -4.611 5.432 -1.856 1.00 1.22 N ATOM 708 CA ILE A 44 -5.594 5.232 -2.913 1.00 15.32 C ATOM 709 C ILE A 44 -5.985 3.763 -3.030 1.00 23.21 C ATOM 710 O ILE A 44 -5.150 2.909 -3.329 1.00 45.42 O ATOM 711 CB ILE A 44 -5.065 5.721 -4.274 1.00 54.30 C ATOM 712 CG1 ILE A 44 -5.959 5.211 -5.406 1.00 60.13 C ATOM 713 CG2 ILE A 44 -3.629 5.265 -4.479 1.00 23.41 C ATOM 714 CD1 ILE A 44 -6.160 6.217 -6.518 1.00 1.12 C ATOM 0 H ILE A 44 -3.861 4.741 -1.841 1.00 1.22 H new ATOM 0 HA ILE A 44 -6.472 5.818 -2.642 1.00 15.32 H new ATOM 0 HB ILE A 44 -5.084 6.811 -4.284 1.00 54.30 H new ATOM 0 HG12 ILE A 44 -5.522 4.304 -5.823 1.00 60.13 H new ATOM 0 HG13 ILE A 44 -6.931 4.937 -4.995 1.00 60.13 H new ATOM 0 HG21 ILE A 44 -3.269 5.618 -5.445 1.00 23.41 H new ATOM 0 HG22 ILE A 44 -3.001 5.673 -3.687 1.00 23.41 H new ATOM 0 HG23 ILE A 44 -3.586 4.176 -4.452 1.00 23.41 H new ATOM 0 HD11 ILE A 44 -6.804 5.787 -7.285 1.00 1.12 H new ATOM 0 HD12 ILE A 44 -6.626 7.116 -6.115 1.00 1.12 H new ATOM 0 HD13 ILE A 44 -5.195 6.473 -6.956 1.00 1.12 H new ATOM 726 N VAL A 45 -7.261 3.474 -2.793 1.00 44.33 N ATOM 727 CA VAL A 45 -7.763 2.108 -2.875 1.00 14.20 C ATOM 728 C VAL A 45 -8.893 1.998 -3.893 1.00 45.14 C ATOM 729 O VAL A 45 -9.780 2.848 -3.946 1.00 51.42 O ATOM 730 CB VAL A 45 -8.270 1.614 -1.507 1.00 55.01 C ATOM 731 CG1 VAL A 45 -8.298 0.094 -1.465 1.00 62.20 C ATOM 732 CG2 VAL A 45 -7.406 2.171 -0.386 1.00 54.30 C ATOM 0 H VAL A 45 -7.965 4.168 -2.543 1.00 44.33 H new ATOM 0 HA VAL A 45 -6.929 1.483 -3.193 1.00 14.20 H new ATOM 0 HB VAL A 45 -9.288 1.976 -1.364 1.00 55.01 H new ATOM 0 HG11 VAL A 45 -8.659 -0.236 -0.491 1.00 62.20 H new ATOM 0 HG12 VAL A 45 -8.963 -0.279 -2.244 1.00 62.20 H new ATOM 0 HG13 VAL A 45 -7.292 -0.293 -1.630 1.00 62.20 H new ATOM 0 HG21 VAL A 45 -7.779 1.812 0.573 1.00 54.30 H new ATOM 0 HG22 VAL A 45 -6.376 1.841 -0.522 1.00 54.30 H new ATOM 0 HG23 VAL A 45 -7.443 3.260 -0.405 1.00 54.30 H new ATOM 742 N GLY A 46 -8.853 0.943 -4.702 1.00 5.12 N ATOM 743 CA GLY A 46 -9.878 0.740 -5.708 1.00 52.42 C ATOM 744 C GLY A 46 -10.493 -0.643 -5.639 1.00 32.33 C ATOM 745 O GLY A 46 -9.788 -1.634 -5.451 1.00 45.24 O ATOM 0 H GLY A 46 -8.128 0.226 -4.678 1.00 5.12 H new ATOM 0 HA2 GLY A 46 -10.660 1.489 -5.581 1.00 52.42 H new ATOM 0 HA3 GLY A 46 -9.447 0.894 -6.697 1.00 52.42 H new ATOM 749 N GLU A 47 -11.812 -0.711 -5.788 1.00 74.35 N ATOM 750 CA GLU A 47 -12.522 -1.984 -5.739 1.00 65.40 C ATOM 751 C GLU A 47 -12.620 -2.607 -7.129 1.00 14.51 C ATOM 752 O GLU A 47 -12.954 -1.929 -8.100 1.00 71.14 O ATOM 753 CB GLU A 47 -13.922 -1.791 -5.154 1.00 71.00 C ATOM 754 CG GLU A 47 -14.161 -2.574 -3.874 1.00 64.41 C ATOM 755 CD GLU A 47 -14.630 -3.992 -4.137 1.00 24.33 C ATOM 756 OE1 GLU A 47 -15.698 -4.158 -4.761 1.00 71.40 O ATOM 757 OE2 GLU A 47 -13.927 -4.936 -3.718 1.00 20.04 O ATOM 0 H GLU A 47 -12.411 0.100 -5.944 1.00 74.35 H new ATOM 0 HA GLU A 47 -11.958 -2.660 -5.096 1.00 65.40 H new ATOM 0 HB2 GLU A 47 -14.081 -0.731 -4.956 1.00 71.00 H new ATOM 0 HB3 GLU A 47 -14.661 -2.091 -5.897 1.00 71.00 H new ATOM 0 HG2 GLU A 47 -13.240 -2.602 -3.292 1.00 64.41 H new ATOM 0 HG3 GLU A 47 -14.905 -2.056 -3.269 1.00 64.41 H new ATOM 764 N GLU A 48 -12.327 -3.900 -7.214 1.00 70.31 N ATOM 765 CA GLU A 48 -12.382 -4.613 -8.485 1.00 25.31 C ATOM 766 C GLU A 48 -13.642 -5.468 -8.576 1.00 14.13 C ATOM 767 O GLU A 48 -13.755 -6.500 -7.916 1.00 22.03 O ATOM 768 CB GLU A 48 -11.142 -5.494 -8.655 1.00 21.04 C ATOM 769 CG GLU A 48 -11.219 -6.429 -9.849 1.00 63.45 C ATOM 770 CD GLU A 48 -11.355 -5.686 -11.164 1.00 62.33 C ATOM 771 OE1 GLU A 48 -12.445 -5.137 -11.426 1.00 74.41 O ATOM 772 OE2 GLU A 48 -10.370 -5.654 -11.931 1.00 43.33 O ATOM 0 H GLU A 48 -12.049 -4.475 -6.419 1.00 70.31 H new ATOM 0 HA GLU A 48 -12.407 -3.874 -9.286 1.00 25.31 H new ATOM 0 HB2 GLU A 48 -10.265 -4.856 -8.760 1.00 21.04 H new ATOM 0 HB3 GLU A 48 -11.000 -6.085 -7.750 1.00 21.04 H new ATOM 0 HG2 GLU A 48 -10.324 -7.050 -9.878 1.00 63.45 H new ATOM 0 HG3 GLU A 48 -12.069 -7.100 -9.726 1.00 63.45 H new ATOM 779 N GLY A 49 -14.590 -5.029 -9.399 1.00 11.02 N ATOM 780 CA GLY A 49 -15.831 -5.764 -9.561 1.00 23.22 C ATOM 781 C GLY A 49 -16.456 -5.553 -10.925 1.00 50.44 C ATOM 782 O GLY A 49 -17.585 -5.075 -11.031 1.00 22.03 O ATOM 0 H GLY A 49 -14.521 -4.178 -9.956 1.00 11.02 H new ATOM 0 HA2 GLY A 49 -15.642 -6.827 -9.412 1.00 23.22 H new ATOM 0 HA3 GLY A 49 -16.536 -5.454 -8.790 1.00 23.22 H new ATOM 786 N ASN A 50 -15.720 -5.907 -11.973 1.00 62.44 N ATOM 787 CA ASN A 50 -16.208 -5.751 -13.339 1.00 34.43 C ATOM 788 C ASN A 50 -16.191 -7.086 -14.078 1.00 51.34 C ATOM 789 O ASN A 50 -15.992 -7.131 -15.292 1.00 11.32 O ATOM 790 CB ASN A 50 -15.359 -4.727 -14.093 1.00 4.53 C ATOM 791 CG ASN A 50 -16.202 -3.668 -14.777 1.00 3.45 C ATOM 792 OD1 ASN A 50 -16.075 -3.438 -15.979 1.00 65.44 O ATOM 793 ND2 ASN A 50 -17.069 -3.016 -14.010 1.00 45.22 N ATOM 0 H ASN A 50 -14.783 -6.304 -11.903 1.00 62.44 H new ATOM 0 HA ASN A 50 -17.237 -5.395 -13.292 1.00 34.43 H new ATOM 0 HB2 ASN A 50 -14.671 -4.246 -13.397 1.00 4.53 H new ATOM 0 HB3 ASN A 50 -14.751 -5.241 -14.838 1.00 4.53 H new ATOM 0 HD21 ASN A 50 -17.663 -2.292 -14.414 1.00 45.22 H new ATOM 0 HD22 ASN A 50 -17.141 -3.240 -13.017 1.00 45.22 H new ATOM 800 N GLU A 51 -16.402 -8.170 -13.338 1.00 4.51 N ATOM 801 CA GLU A 51 -16.410 -9.505 -13.924 1.00 42.42 C ATOM 802 C GLU A 51 -17.473 -10.381 -13.267 1.00 43.33 C ATOM 803 O GLU A 51 -17.318 -10.810 -12.125 1.00 3.03 O ATOM 804 CB GLU A 51 -15.034 -10.158 -13.779 1.00 42.03 C ATOM 805 CG GLU A 51 -14.464 -10.673 -15.090 1.00 64.30 C ATOM 806 CD GLU A 51 -13.727 -11.989 -14.929 1.00 11.14 C ATOM 807 OE1 GLU A 51 -12.552 -11.964 -14.506 1.00 54.12 O ATOM 808 OE2 GLU A 51 -14.326 -13.044 -15.225 1.00 15.21 O ATOM 0 H GLU A 51 -16.570 -8.150 -12.332 1.00 4.51 H new ATOM 0 HA GLU A 51 -16.648 -9.408 -14.983 1.00 42.42 H new ATOM 0 HB2 GLU A 51 -14.341 -9.434 -13.351 1.00 42.03 H new ATOM 0 HB3 GLU A 51 -15.106 -10.986 -13.074 1.00 42.03 H new ATOM 0 HG2 GLU A 51 -15.273 -10.800 -15.809 1.00 64.30 H new ATOM 0 HG3 GLU A 51 -13.784 -9.928 -15.504 1.00 64.30 H new ATOM 815 N GLU A 52 -18.552 -10.640 -13.999 1.00 21.52 N ATOM 816 CA GLU A 52 -19.641 -11.464 -13.487 1.00 0.13 C ATOM 817 C GLU A 52 -19.208 -12.922 -13.360 1.00 4.54 C ATOM 818 O GLU A 52 -18.393 -13.409 -14.142 1.00 41.21 O ATOM 819 CB GLU A 52 -20.862 -11.361 -14.403 1.00 60.42 C ATOM 820 CG GLU A 52 -20.607 -11.863 -15.815 1.00 34.34 C ATOM 821 CD GLU A 52 -21.017 -10.858 -16.874 1.00 23.42 C ATOM 822 OE1 GLU A 52 -22.167 -10.376 -16.820 1.00 14.23 O ATOM 823 OE2 GLU A 52 -20.187 -10.555 -17.756 1.00 52.33 O ATOM 0 H GLU A 52 -18.695 -10.292 -14.947 1.00 21.52 H new ATOM 0 HA GLU A 52 -19.907 -11.095 -12.496 1.00 0.13 H new ATOM 0 HB2 GLU A 52 -21.682 -11.931 -13.966 1.00 60.42 H new ATOM 0 HB3 GLU A 52 -21.185 -10.321 -14.449 1.00 60.42 H new ATOM 0 HG2 GLU A 52 -19.548 -12.094 -15.929 1.00 34.34 H new ATOM 0 HG3 GLU A 52 -21.154 -12.793 -15.970 1.00 34.34 H new ATOM 830 N GLY A 53 -19.759 -13.612 -12.366 1.00 70.53 N ATOM 831 CA GLY A 53 -19.417 -15.007 -12.154 1.00 14.24 C ATOM 832 C GLY A 53 -18.274 -15.181 -11.174 1.00 1.41 C ATOM 833 O GLY A 53 -18.105 -16.251 -10.590 1.00 61.44 O ATOM 0 H GLY A 53 -20.435 -13.231 -11.704 1.00 70.53 H new ATOM 0 HA2 GLY A 53 -20.293 -15.541 -11.784 1.00 14.24 H new ATOM 0 HA3 GLY A 53 -19.146 -15.461 -13.107 1.00 14.24 H new ATOM 837 N ARG A 54 -17.486 -14.126 -10.994 1.00 5.11 N ATOM 838 CA ARG A 54 -16.350 -14.168 -10.080 1.00 51.23 C ATOM 839 C ARG A 54 -16.578 -13.245 -8.887 1.00 34.24 C ATOM 840 O ARG A 54 -17.422 -12.349 -8.932 1.00 72.32 O ATOM 841 CB ARG A 54 -15.066 -13.767 -10.810 1.00 34.53 C ATOM 842 CG ARG A 54 -13.800 -14.077 -10.028 1.00 60.55 C ATOM 843 CD ARG A 54 -12.554 -13.824 -10.863 1.00 74.53 C ATOM 844 NE ARG A 54 -11.339 -13.845 -10.053 1.00 53.44 N ATOM 845 CZ ARG A 54 -10.733 -14.961 -9.666 1.00 63.10 C ATOM 846 NH1 ARG A 54 -11.225 -16.142 -10.013 1.00 55.13 N ATOM 847 NH2 ARG A 54 -9.630 -14.898 -8.930 1.00 53.42 N ATOM 0 H ARG A 54 -17.613 -13.232 -11.469 1.00 5.11 H new ATOM 0 HA ARG A 54 -16.248 -15.189 -9.713 1.00 51.23 H new ATOM 0 HB2 ARG A 54 -15.027 -14.284 -11.769 1.00 34.53 H new ATOM 0 HB3 ARG A 54 -15.098 -12.699 -11.025 1.00 34.53 H new ATOM 0 HG2 ARG A 54 -13.767 -13.463 -9.128 1.00 60.55 H new ATOM 0 HG3 ARG A 54 -13.817 -15.117 -9.703 1.00 60.55 H new ATOM 0 HD2 ARG A 54 -12.482 -14.580 -11.645 1.00 74.53 H new ATOM 0 HD3 ARG A 54 -12.641 -12.858 -11.361 1.00 74.53 H new ATOM 0 HE ARG A 54 -10.934 -12.953 -9.769 1.00 53.44 H new ATOM 0 HH11 ARG A 54 -12.072 -16.195 -10.579 1.00 55.13 H new ATOM 0 HH12 ARG A 54 -10.757 -16.997 -9.714 1.00 55.13 H new ATOM 0 HH21 ARG A 54 -9.247 -13.992 -8.661 1.00 53.42 H new ATOM 0 HH22 ARG A 54 -9.165 -15.756 -8.633 1.00 53.42 H new ATOM 861 N THR A 55 -15.821 -13.471 -7.817 1.00 41.55 N ATOM 862 CA THR A 55 -15.941 -12.662 -6.611 1.00 53.42 C ATOM 863 C THR A 55 -15.109 -11.389 -6.717 1.00 61.03 C ATOM 864 O THR A 55 -14.174 -11.295 -7.512 1.00 45.33 O ATOM 865 CB THR A 55 -15.501 -13.447 -5.362 1.00 24.23 C ATOM 866 OG1 THR A 55 -14.733 -14.592 -5.748 1.00 62.35 O ATOM 867 CG2 THR A 55 -16.707 -13.891 -4.548 1.00 1.52 C ATOM 0 H THR A 55 -15.118 -14.208 -7.762 1.00 41.55 H new ATOM 0 HA THR A 55 -16.994 -12.397 -6.512 1.00 53.42 H new ATOM 0 HB THR A 55 -14.888 -12.790 -4.745 1.00 24.23 H new ATOM 0 HG1 THR A 55 -14.456 -15.085 -4.948 1.00 62.35 H new ATOM 0 HG21 THR A 55 -16.370 -14.444 -3.671 1.00 1.52 H new ATOM 0 HG22 THR A 55 -17.274 -13.016 -4.230 1.00 1.52 H new ATOM 0 HG23 THR A 55 -17.342 -14.532 -5.159 1.00 1.52 H new ATOM 875 N PRO A 56 -15.454 -10.385 -5.897 1.00 60.23 N ATOM 876 CA PRO A 56 -14.749 -9.100 -5.880 1.00 15.24 C ATOM 877 C PRO A 56 -13.343 -9.218 -5.303 1.00 2.41 C ATOM 878 O PRO A 56 -13.028 -10.178 -4.600 1.00 23.15 O ATOM 879 CB PRO A 56 -15.626 -8.227 -4.977 1.00 61.44 C ATOM 880 CG PRO A 56 -16.340 -9.192 -4.095 1.00 61.42 C ATOM 881 CD PRO A 56 -16.558 -10.428 -4.924 1.00 52.10 C ATOM 0 HA PRO A 56 -14.611 -8.697 -6.883 1.00 15.24 H new ATOM 0 HB2 PRO A 56 -15.024 -7.529 -4.395 1.00 61.44 H new ATOM 0 HB3 PRO A 56 -16.327 -7.632 -5.562 1.00 61.44 H new ATOM 0 HG2 PRO A 56 -15.751 -9.417 -3.206 1.00 61.42 H new ATOM 0 HG3 PRO A 56 -17.289 -8.779 -3.753 1.00 61.42 H new ATOM 0 HD2 PRO A 56 -16.522 -11.332 -4.315 1.00 52.10 H new ATOM 0 HD3 PRO A 56 -17.530 -10.414 -5.418 1.00 52.10 H new ATOM 889 N HIS A 57 -12.500 -8.235 -5.605 1.00 12.35 N ATOM 890 CA HIS A 57 -11.126 -8.228 -5.115 1.00 33.24 C ATOM 891 C HIS A 57 -10.703 -6.821 -4.703 1.00 61.34 C ATOM 892 O HIS A 57 -11.037 -5.841 -5.370 1.00 75.11 O ATOM 893 CB HIS A 57 -10.178 -8.766 -6.186 1.00 62.04 C ATOM 894 CG HIS A 57 -8.730 -8.573 -5.856 1.00 63.40 C ATOM 895 ND1 HIS A 57 -8.071 -7.375 -6.031 1.00 1.34 N ATOM 896 CD2 HIS A 57 -7.813 -9.436 -5.357 1.00 52.42 C ATOM 897 CE1 HIS A 57 -6.811 -7.508 -5.655 1.00 74.31 C ATOM 898 NE2 HIS A 57 -6.629 -8.750 -5.242 1.00 13.51 N ATOM 0 H HIS A 57 -12.744 -7.433 -6.186 1.00 12.35 H new ATOM 0 HA HIS A 57 -11.075 -8.874 -4.239 1.00 33.24 H new ATOM 0 HB2 HIS A 57 -10.371 -9.829 -6.329 1.00 62.04 H new ATOM 0 HB3 HIS A 57 -10.395 -8.272 -7.133 1.00 62.04 H new ATOM 0 HD1 HIS A 57 -8.491 -6.519 -6.394 1.00 1.34 H new ATOM 0 HD2 HIS A 57 -7.982 -10.471 -5.098 1.00 52.42 H new ATOM 0 HE1 HIS A 57 -6.058 -6.734 -5.681 1.00 74.31 H new ATOM 906 N LEU A 58 -9.966 -6.729 -3.602 1.00 12.22 N ATOM 907 CA LEU A 58 -9.497 -5.441 -3.101 1.00 33.42 C ATOM 908 C LEU A 58 -8.096 -5.133 -3.619 1.00 53.11 C ATOM 909 O LEU A 58 -7.135 -5.826 -3.286 1.00 52.40 O ATOM 910 CB LEU A 58 -9.500 -5.435 -1.571 1.00 74.52 C ATOM 911 CG LEU A 58 -10.016 -4.159 -0.906 1.00 0.20 C ATOM 912 CD1 LEU A 58 -9.829 -4.230 0.602 1.00 53.43 C ATOM 913 CD2 LEU A 58 -9.309 -2.938 -1.476 1.00 13.40 C ATOM 0 H LEU A 58 -9.680 -7.530 -3.039 1.00 12.22 H new ATOM 0 HA LEU A 58 -10.176 -4.669 -3.463 1.00 33.42 H new ATOM 0 HB2 LEU A 58 -10.107 -6.272 -1.226 1.00 74.52 H new ATOM 0 HB3 LEU A 58 -8.482 -5.615 -1.225 1.00 74.52 H new ATOM 0 HG LEU A 58 -11.082 -4.068 -1.115 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -10.202 -3.313 1.058 1.00 53.43 H new ATOM 0 HD12 LEU A 58 -10.381 -5.083 0.997 1.00 53.43 H new ATOM 0 HD13 LEU A 58 -8.770 -4.345 0.832 1.00 53.43 H new ATOM 0 HD21 LEU A 58 -9.689 -2.038 -0.991 1.00 13.40 H new ATOM 0 HD22 LEU A 58 -8.237 -3.022 -1.297 1.00 13.40 H new ATOM 0 HD23 LEU A 58 -9.494 -2.878 -2.548 1.00 13.40 H new ATOM 925 N GLN A 59 -7.989 -4.088 -4.434 1.00 30.32 N ATOM 926 CA GLN A 59 -6.705 -3.688 -4.996 1.00 41.44 C ATOM 927 C GLN A 59 -6.449 -2.202 -4.764 1.00 65.22 C ATOM 928 O GLN A 59 -7.153 -1.349 -5.302 1.00 11.03 O ATOM 929 CB GLN A 59 -6.662 -3.997 -6.494 1.00 5.22 C ATOM 930 CG GLN A 59 -5.465 -3.388 -7.206 1.00 41.44 C ATOM 931 CD GLN A 59 -4.149 -3.995 -6.761 1.00 11.42 C ATOM 932 OE1 GLN A 59 -3.701 -5.003 -7.307 1.00 21.21 O ATOM 933 NE2 GLN A 59 -3.522 -3.382 -5.763 1.00 61.15 N ATOM 0 H GLN A 59 -8.775 -3.504 -4.719 1.00 30.32 H new ATOM 0 HA GLN A 59 -5.923 -4.256 -4.492 1.00 41.44 H new ATOM 0 HB2 GLN A 59 -6.646 -5.078 -6.633 1.00 5.22 H new ATOM 0 HB3 GLN A 59 -7.577 -3.629 -6.959 1.00 5.22 H new ATOM 0 HG2 GLN A 59 -5.579 -3.525 -8.281 1.00 41.44 H new ATOM 0 HG3 GLN A 59 -5.446 -2.314 -7.022 1.00 41.44 H new ATOM 0 HE21 GLN A 59 -3.930 -2.549 -5.340 1.00 61.15 H new ATOM 0 HE22 GLN A 59 -2.632 -3.745 -5.420 1.00 61.15 H new ATOM 942 N GLY A 60 -5.434 -1.900 -3.959 1.00 34.41 N ATOM 943 CA GLY A 60 -5.103 -0.517 -3.669 1.00 74.42 C ATOM 944 C GLY A 60 -3.630 -0.324 -3.371 1.00 62.14 C ATOM 945 O GLY A 60 -2.879 -1.294 -3.258 1.00 15.42 O ATOM 0 H GLY A 60 -4.835 -2.589 -3.503 1.00 34.41 H new ATOM 0 HA2 GLY A 60 -5.383 0.106 -4.518 1.00 74.42 H new ATOM 0 HA3 GLY A 60 -5.691 -0.177 -2.816 1.00 74.42 H new ATOM 949 N PHE A 61 -3.213 0.931 -3.246 1.00 42.50 N ATOM 950 CA PHE A 61 -1.818 1.249 -2.962 1.00 51.23 C ATOM 951 C PHE A 61 -1.714 2.426 -1.996 1.00 60.42 C ATOM 952 O PHE A 61 -2.481 3.384 -2.084 1.00 2.15 O ATOM 953 CB PHE A 61 -1.073 1.572 -4.259 1.00 24.11 C ATOM 954 CG PHE A 61 0.217 2.311 -4.041 1.00 14.20 C ATOM 955 CD1 PHE A 61 1.273 1.708 -3.377 1.00 73.01 C ATOM 956 CD2 PHE A 61 0.373 3.609 -4.500 1.00 74.04 C ATOM 957 CE1 PHE A 61 2.460 2.386 -3.175 1.00 13.43 C ATOM 958 CE2 PHE A 61 1.557 4.292 -4.301 1.00 45.32 C ATOM 959 CZ PHE A 61 2.603 3.680 -3.638 1.00 73.43 C ATOM 0 H PHE A 61 -3.821 1.745 -3.337 1.00 42.50 H new ATOM 0 HA PHE A 61 -1.360 0.377 -2.495 1.00 51.23 H new ATOM 0 HB2 PHE A 61 -0.865 0.643 -4.790 1.00 24.11 H new ATOM 0 HB3 PHE A 61 -1.720 2.169 -4.902 1.00 24.11 H new ATOM 0 HD1 PHE A 61 1.167 0.697 -3.013 1.00 73.01 H new ATOM 0 HD2 PHE A 61 -0.441 4.093 -5.020 1.00 74.04 H new ATOM 0 HE1 PHE A 61 3.275 1.905 -2.656 1.00 13.43 H new ATOM 0 HE2 PHE A 61 1.665 5.304 -4.663 1.00 45.32 H new ATOM 0 HZ PHE A 61 3.530 4.212 -3.482 1.00 73.43 H new ATOM 969 N ALA A 62 -0.760 2.344 -1.075 1.00 4.22 N ATOM 970 CA ALA A 62 -0.553 3.402 -0.093 1.00 74.41 C ATOM 971 C ALA A 62 0.929 3.726 0.061 1.00 14.12 C ATOM 972 O ALA A 62 1.784 2.857 -0.099 1.00 72.52 O ATOM 973 CB ALA A 62 -1.150 3.001 1.248 1.00 73.42 C ATOM 0 H ALA A 62 -0.118 1.556 -0.988 1.00 4.22 H new ATOM 0 HA ALA A 62 -1.059 4.299 -0.450 1.00 74.41 H new ATOM 0 HB1 ALA A 62 -0.988 3.800 1.972 1.00 73.42 H new ATOM 0 HB2 ALA A 62 -2.220 2.827 1.133 1.00 73.42 H new ATOM 0 HB3 ALA A 62 -0.670 2.088 1.602 1.00 73.42 H new ATOM 979 N ASN A 63 1.225 4.984 0.373 1.00 70.30 N ATOM 980 CA ASN A 63 2.605 5.423 0.548 1.00 74.04 C ATOM 981 C ASN A 63 2.898 5.724 2.014 1.00 2.12 C ATOM 982 O ASN A 63 2.341 6.658 2.591 1.00 40.31 O ATOM 983 CB ASN A 63 2.878 6.664 -0.304 1.00 42.22 C ATOM 984 CG ASN A 63 3.502 6.321 -1.643 1.00 73.42 C ATOM 985 OD1 ASN A 63 4.405 5.488 -1.725 1.00 34.35 O ATOM 986 ND2 ASN A 63 3.021 6.963 -2.702 1.00 5.05 N ATOM 0 H ASN A 63 0.528 5.717 0.510 1.00 70.30 H new ATOM 0 HA ASN A 63 3.262 4.616 0.223 1.00 74.04 H new ATOM 0 HB2 ASN A 63 1.944 7.201 -0.469 1.00 42.22 H new ATOM 0 HB3 ASN A 63 3.540 7.337 0.241 1.00 42.22 H new ATOM 0 HD21 ASN A 63 3.401 6.773 -3.629 1.00 5.05 H new ATOM 0 HD22 ASN A 63 2.272 7.646 -2.588 1.00 5.05 H new ATOM 993 N PHE A 64 3.777 4.927 2.612 1.00 62.52 N ATOM 994 CA PHE A 64 4.145 5.107 4.011 1.00 21.13 C ATOM 995 C PHE A 64 4.989 6.365 4.194 1.00 15.31 C ATOM 996 O PHE A 64 6.013 6.541 3.535 1.00 62.13 O ATOM 997 CB PHE A 64 4.914 3.886 4.520 1.00 70.30 C ATOM 998 CG PHE A 64 4.108 3.008 5.434 1.00 0.14 C ATOM 999 CD1 PHE A 64 3.858 3.392 6.742 1.00 22.01 C ATOM 1000 CD2 PHE A 64 3.600 1.800 4.986 1.00 32.42 C ATOM 1001 CE1 PHE A 64 3.118 2.586 7.586 1.00 74.23 C ATOM 1002 CE2 PHE A 64 2.858 0.989 5.825 1.00 10.42 C ATOM 1003 CZ PHE A 64 2.616 1.384 7.126 1.00 32.34 C ATOM 0 H PHE A 64 4.248 4.150 2.149 1.00 62.52 H new ATOM 0 HA PHE A 64 3.228 5.218 4.590 1.00 21.13 H new ATOM 0 HB2 PHE A 64 5.250 3.297 3.667 1.00 70.30 H new ATOM 0 HB3 PHE A 64 5.807 4.223 5.047 1.00 70.30 H new ATOM 0 HD1 PHE A 64 4.246 4.332 7.106 1.00 22.01 H new ATOM 0 HD2 PHE A 64 3.786 1.488 3.969 1.00 32.42 H new ATOM 0 HE1 PHE A 64 2.932 2.895 8.604 1.00 74.23 H new ATOM 0 HE2 PHE A 64 2.469 0.049 5.464 1.00 10.42 H new ATOM 0 HZ PHE A 64 2.035 0.754 7.783 1.00 32.34 H new ATOM 1013 N VAL A 65 4.549 7.239 5.094 1.00 2.32 N ATOM 1014 CA VAL A 65 5.263 8.482 5.365 1.00 33.41 C ATOM 1015 C VAL A 65 6.652 8.206 5.928 1.00 64.31 C ATOM 1016 O VAL A 65 7.554 9.037 5.821 1.00 2.24 O ATOM 1017 CB VAL A 65 4.487 9.370 6.356 1.00 72.13 C ATOM 1018 CG1 VAL A 65 5.278 10.629 6.677 1.00 73.12 C ATOM 1019 CG2 VAL A 65 3.116 9.720 5.796 1.00 21.43 C ATOM 0 H VAL A 65 3.702 7.110 5.648 1.00 2.32 H new ATOM 0 HA VAL A 65 5.357 9.007 4.414 1.00 33.41 H new ATOM 0 HB VAL A 65 4.345 8.813 7.282 1.00 72.13 H new ATOM 0 HG11 VAL A 65 4.714 11.244 7.378 1.00 73.12 H new ATOM 0 HG12 VAL A 65 6.234 10.354 7.122 1.00 73.12 H new ATOM 0 HG13 VAL A 65 5.453 11.192 5.760 1.00 73.12 H new ATOM 0 HG21 VAL A 65 2.581 10.348 6.509 1.00 21.43 H new ATOM 0 HG22 VAL A 65 3.234 10.258 4.855 1.00 21.43 H new ATOM 0 HG23 VAL A 65 2.550 8.805 5.622 1.00 21.43 H new ATOM 1029 N LYS A 66 6.820 7.032 6.527 1.00 35.33 N ATOM 1030 CA LYS A 66 8.100 6.643 7.106 1.00 1.13 C ATOM 1031 C LYS A 66 8.561 5.298 6.554 1.00 31.14 C ATOM 1032 O LYS A 66 7.745 4.464 6.162 1.00 70.42 O ATOM 1033 CB LYS A 66 7.993 6.571 8.631 1.00 12.02 C ATOM 1034 CG LYS A 66 8.352 7.872 9.328 1.00 23.34 C ATOM 1035 CD LYS A 66 7.211 8.873 9.264 1.00 61.10 C ATOM 1036 CE LYS A 66 7.726 10.304 9.241 1.00 72.15 C ATOM 1037 NZ LYS A 66 6.626 11.292 9.416 1.00 54.14 N ATOM 0 H LYS A 66 6.084 6.332 6.624 1.00 35.33 H new ATOM 0 HA LYS A 66 8.837 7.399 6.835 1.00 1.13 H new ATOM 0 HB2 LYS A 66 6.975 6.292 8.903 1.00 12.02 H new ATOM 0 HB3 LYS A 66 8.648 5.780 8.996 1.00 12.02 H new ATOM 0 HG2 LYS A 66 8.602 7.671 10.370 1.00 23.34 H new ATOM 0 HG3 LYS A 66 9.240 8.301 8.864 1.00 23.34 H new ATOM 0 HD2 LYS A 66 6.611 8.687 8.373 1.00 61.10 H new ATOM 0 HD3 LYS A 66 6.556 8.735 10.124 1.00 61.10 H new ATOM 0 HE2 LYS A 66 8.463 10.437 10.033 1.00 72.15 H new ATOM 0 HE3 LYS A 66 8.236 10.491 8.296 1.00 72.15 H new ATOM 0 HZ1 LYS A 66 6.699 12.026 8.683 1.00 54.14 H new ATOM 0 HZ2 LYS A 66 5.709 10.809 9.333 1.00 54.14 H new ATOM 0 HZ3 LYS A 66 6.701 11.732 10.355 1.00 54.14 H new ATOM 1051 N LYS A 67 9.873 5.092 6.528 1.00 4.54 N ATOM 1052 CA LYS A 67 10.444 3.848 6.028 1.00 73.55 C ATOM 1053 C LYS A 67 9.940 2.655 6.835 1.00 44.04 C ATOM 1054 O LYS A 67 10.119 2.598 8.051 1.00 52.51 O ATOM 1055 CB LYS A 67 11.972 3.905 6.081 1.00 20.32 C ATOM 1056 CG LYS A 67 12.563 5.090 5.337 1.00 72.30 C ATOM 1057 CD LYS A 67 12.501 4.890 3.832 1.00 62.11 C ATOM 1058 CE LYS A 67 13.771 5.378 3.152 1.00 25.04 C ATOM 1059 NZ LYS A 67 13.479 6.353 2.065 1.00 25.31 N ATOM 0 H LYS A 67 10.562 5.772 6.848 1.00 4.54 H new ATOM 0 HA LYS A 67 10.128 3.723 4.992 1.00 73.55 H new ATOM 0 HB2 LYS A 67 12.290 3.946 7.123 1.00 20.32 H new ATOM 0 HB3 LYS A 67 12.376 2.984 5.660 1.00 20.32 H new ATOM 0 HG2 LYS A 67 12.022 5.997 5.607 1.00 72.30 H new ATOM 0 HG3 LYS A 67 13.599 5.233 5.644 1.00 72.30 H new ATOM 0 HD2 LYS A 67 12.351 3.833 3.610 1.00 62.11 H new ATOM 0 HD3 LYS A 67 11.642 5.425 3.428 1.00 62.11 H new ATOM 0 HE2 LYS A 67 14.423 5.843 3.891 1.00 25.04 H new ATOM 0 HE3 LYS A 67 14.313 4.526 2.740 1.00 25.04 H new ATOM 0 HZ1 LYS A 67 14.370 6.661 1.627 1.00 25.31 H new ATOM 0 HZ2 LYS A 67 12.878 5.902 1.346 1.00 25.31 H new ATOM 0 HZ3 LYS A 67 12.985 7.178 2.462 1.00 25.31 H new ATOM 1073 N GLN A 68 9.313 1.705 6.149 1.00 31.22 N ATOM 1074 CA GLN A 68 8.785 0.513 6.804 1.00 42.43 C ATOM 1075 C GLN A 68 9.153 -0.744 6.023 1.00 32.34 C ATOM 1076 O GLN A 68 9.360 -0.698 4.810 1.00 12.42 O ATOM 1077 CB GLN A 68 7.265 0.614 6.945 1.00 45.30 C ATOM 1078 CG GLN A 68 6.813 1.742 7.858 1.00 31.15 C ATOM 1079 CD GLN A 68 7.622 1.817 9.138 1.00 24.01 C ATOM 1080 OE1 GLN A 68 8.006 0.793 9.704 1.00 3.13 O ATOM 1081 NE2 GLN A 68 7.887 3.033 9.601 1.00 13.12 N ATOM 0 H GLN A 68 9.158 1.737 5.141 1.00 31.22 H new ATOM 0 HA GLN A 68 9.231 0.446 7.796 1.00 42.43 H new ATOM 0 HB2 GLN A 68 6.826 0.758 5.958 1.00 45.30 H new ATOM 0 HB3 GLN A 68 6.881 -0.330 7.330 1.00 45.30 H new ATOM 0 HG2 GLN A 68 6.894 2.690 7.326 1.00 31.15 H new ATOM 0 HG3 GLN A 68 5.760 1.604 8.106 1.00 31.15 H new ATOM 0 HE21 GLN A 68 7.549 3.854 9.100 1.00 13.12 H new ATOM 0 HE22 GLN A 68 8.429 3.146 10.458 1.00 13.12 H new ATOM 1090 N THR A 69 9.233 -1.869 6.727 1.00 22.33 N ATOM 1091 CA THR A 69 9.577 -3.140 6.101 1.00 4.33 C ATOM 1092 C THR A 69 8.326 -3.933 5.743 1.00 50.24 C ATOM 1093 O THR A 69 7.217 -3.576 6.142 1.00 62.23 O ATOM 1094 CB THR A 69 10.468 -3.996 7.021 1.00 21.10 C ATOM 1095 OG1 THR A 69 9.666 -4.645 8.014 1.00 1.54 O ATOM 1096 CG2 THR A 69 11.528 -3.140 7.697 1.00 23.25 C ATOM 0 H THR A 69 9.064 -1.926 7.731 1.00 22.33 H new ATOM 0 HA THR A 69 10.128 -2.905 5.190 1.00 4.33 H new ATOM 0 HB THR A 69 10.967 -4.748 6.410 1.00 21.10 H new ATOM 0 HG1 THR A 69 10.240 -5.189 8.594 1.00 1.54 H new ATOM 0 HG21 THR A 69 12.145 -3.766 8.341 1.00 23.25 H new ATOM 0 HG22 THR A 69 12.155 -2.671 6.939 1.00 23.25 H new ATOM 0 HG23 THR A 69 11.045 -2.368 8.296 1.00 23.25 H new ATOM 1104 N PHE A 70 8.510 -5.011 4.988 1.00 44.34 N ATOM 1105 CA PHE A 70 7.395 -5.855 4.575 1.00 43.12 C ATOM 1106 C PHE A 70 6.696 -6.463 5.787 1.00 55.21 C ATOM 1107 O PHE A 70 5.481 -6.341 5.941 1.00 22.13 O ATOM 1108 CB PHE A 70 7.886 -6.966 3.645 1.00 64.22 C ATOM 1109 CG PHE A 70 6.897 -8.083 3.471 1.00 41.03 C ATOM 1110 CD1 PHE A 70 5.685 -7.860 2.838 1.00 12.02 C ATOM 1111 CD2 PHE A 70 7.180 -9.356 3.940 1.00 15.31 C ATOM 1112 CE1 PHE A 70 4.772 -8.885 2.676 1.00 23.50 C ATOM 1113 CE2 PHE A 70 6.271 -10.385 3.780 1.00 23.15 C ATOM 1114 CZ PHE A 70 5.066 -10.150 3.149 1.00 53.52 C ATOM 0 H PHE A 70 9.421 -5.321 4.650 1.00 44.34 H new ATOM 0 HA PHE A 70 6.679 -5.232 4.039 1.00 43.12 H new ATOM 0 HB2 PHE A 70 8.114 -6.538 2.669 1.00 64.22 H new ATOM 0 HB3 PHE A 70 8.817 -7.374 4.039 1.00 64.22 H new ATOM 0 HD1 PHE A 70 5.451 -6.873 2.467 1.00 12.02 H new ATOM 0 HD2 PHE A 70 8.121 -9.546 4.436 1.00 15.31 H new ATOM 0 HE1 PHE A 70 3.831 -8.698 2.181 1.00 23.50 H new ATOM 0 HE2 PHE A 70 6.504 -11.373 4.149 1.00 23.15 H new ATOM 0 HZ PHE A 70 4.354 -10.953 3.025 1.00 53.52 H new ATOM 1124 N ASN A 71 7.472 -7.118 6.644 1.00 72.12 N ATOM 1125 CA ASN A 71 6.927 -7.747 7.842 1.00 43.50 C ATOM 1126 C ASN A 71 6.273 -6.710 8.750 1.00 35.11 C ATOM 1127 O ASN A 71 5.203 -6.948 9.312 1.00 3.34 O ATOM 1128 CB ASN A 71 8.031 -8.483 8.603 1.00 21.42 C ATOM 1129 CG ASN A 71 7.529 -9.752 9.266 1.00 51.23 C ATOM 1130 OD1 ASN A 71 6.909 -10.598 8.621 1.00 22.35 O ATOM 1131 ND2 ASN A 71 7.795 -9.888 10.560 1.00 73.44 N ATOM 0 H ASN A 71 8.480 -7.227 6.532 1.00 72.12 H new ATOM 0 HA ASN A 71 6.167 -8.465 7.533 1.00 43.50 H new ATOM 0 HB2 ASN A 71 8.839 -8.731 7.915 1.00 21.42 H new ATOM 0 HB3 ASN A 71 8.449 -7.821 9.361 1.00 21.42 H new ATOM 0 HD21 ASN A 71 7.482 -10.720 11.060 1.00 73.44 H new ATOM 0 HD22 ASN A 71 8.312 -9.160 11.054 1.00 73.44 H new ATOM 1138 N LYS A 72 6.921 -5.559 8.889 1.00 43.13 N ATOM 1139 CA LYS A 72 6.403 -4.484 9.726 1.00 0.05 C ATOM 1140 C LYS A 72 5.097 -3.936 9.162 1.00 55.35 C ATOM 1141 O LYS A 72 4.105 -3.804 9.879 1.00 1.33 O ATOM 1142 CB LYS A 72 7.433 -3.358 9.843 1.00 61.24 C ATOM 1143 CG LYS A 72 7.388 -2.628 11.174 1.00 43.35 C ATOM 1144 CD LYS A 72 6.003 -2.072 11.458 1.00 1.22 C ATOM 1145 CE LYS A 72 5.999 -1.196 12.702 1.00 74.02 C ATOM 1146 NZ LYS A 72 6.621 -1.884 13.867 1.00 53.12 N ATOM 0 H LYS A 72 7.808 -5.346 8.432 1.00 43.13 H new ATOM 0 HA LYS A 72 6.207 -4.893 10.717 1.00 0.05 H new ATOM 0 HB2 LYS A 72 8.431 -3.773 9.700 1.00 61.24 H new ATOM 0 HB3 LYS A 72 7.268 -2.641 9.039 1.00 61.24 H new ATOM 0 HG2 LYS A 72 7.679 -3.309 11.974 1.00 43.35 H new ATOM 0 HG3 LYS A 72 8.114 -1.815 11.169 1.00 43.35 H new ATOM 0 HD2 LYS A 72 5.660 -1.491 10.602 1.00 1.22 H new ATOM 0 HD3 LYS A 72 5.299 -2.894 11.588 1.00 1.22 H new ATOM 0 HE2 LYS A 72 6.538 -0.271 12.496 1.00 74.02 H new ATOM 0 HE3 LYS A 72 4.974 -0.920 12.948 1.00 74.02 H new ATOM 0 HZ1 LYS A 72 6.421 -1.347 14.735 1.00 53.12 H new ATOM 0 HZ2 LYS A 72 6.228 -2.843 13.954 1.00 53.12 H new ATOM 0 HZ3 LYS A 72 7.650 -1.943 13.726 1.00 53.12 H new ATOM 1160 N VAL A 73 5.102 -3.619 7.871 1.00 51.05 N ATOM 1161 CA VAL A 73 3.916 -3.088 7.209 1.00 44.52 C ATOM 1162 C VAL A 73 2.717 -4.007 7.409 1.00 13.42 C ATOM 1163 O VAL A 73 1.568 -3.569 7.348 1.00 14.40 O ATOM 1164 CB VAL A 73 4.155 -2.895 5.699 1.00 1.24 C ATOM 1165 CG1 VAL A 73 2.843 -2.614 4.983 1.00 42.23 C ATOM 1166 CG2 VAL A 73 5.155 -1.774 5.457 1.00 20.24 C ATOM 0 H VAL A 73 5.914 -3.721 7.263 1.00 51.05 H new ATOM 0 HA VAL A 73 3.707 -2.119 7.663 1.00 44.52 H new ATOM 0 HB VAL A 73 4.572 -3.817 5.294 1.00 1.24 H new ATOM 0 HG11 VAL A 73 3.031 -2.480 3.918 1.00 42.23 H new ATOM 0 HG12 VAL A 73 2.162 -3.453 5.129 1.00 42.23 H new ATOM 0 HG13 VAL A 73 2.394 -1.707 5.389 1.00 42.23 H new ATOM 0 HG21 VAL A 73 5.312 -1.651 4.385 1.00 20.24 H new ATOM 0 HG22 VAL A 73 4.768 -0.845 5.876 1.00 20.24 H new ATOM 0 HG23 VAL A 73 6.102 -2.022 5.936 1.00 20.24 H new ATOM 1176 N LYS A 74 2.991 -5.284 7.650 1.00 71.35 N ATOM 1177 CA LYS A 74 1.935 -6.267 7.861 1.00 31.23 C ATOM 1178 C LYS A 74 1.154 -5.960 9.135 1.00 74.51 C ATOM 1179 O LYS A 74 0.091 -6.534 9.375 1.00 0.33 O ATOM 1180 CB LYS A 74 2.529 -7.675 7.941 1.00 21.24 C ATOM 1181 CG LYS A 74 3.301 -8.081 6.698 1.00 72.32 C ATOM 1182 CD LYS A 74 2.919 -9.478 6.236 1.00 3.20 C ATOM 1183 CE LYS A 74 1.850 -9.435 5.155 1.00 12.23 C ATOM 1184 NZ LYS A 74 1.618 -10.776 4.550 1.00 5.33 N ATOM 0 H LYS A 74 3.936 -5.663 7.704 1.00 71.35 H new ATOM 0 HA LYS A 74 1.250 -6.216 7.014 1.00 31.23 H new ATOM 0 HB2 LYS A 74 3.191 -7.732 8.805 1.00 21.24 H new ATOM 0 HB3 LYS A 74 1.724 -8.391 8.109 1.00 21.24 H new ATOM 0 HG2 LYS A 74 3.107 -7.366 5.898 1.00 72.32 H new ATOM 0 HG3 LYS A 74 4.371 -8.045 6.905 1.00 72.32 H new ATOM 0 HD2 LYS A 74 3.802 -9.991 5.855 1.00 3.20 H new ATOM 0 HD3 LYS A 74 2.556 -10.057 7.085 1.00 3.20 H new ATOM 0 HE2 LYS A 74 0.918 -9.063 5.580 1.00 12.23 H new ATOM 0 HE3 LYS A 74 2.148 -8.732 4.377 1.00 12.23 H new ATOM 0 HZ1 LYS A 74 0.814 -10.726 3.892 1.00 5.33 H new ATOM 0 HZ2 LYS A 74 2.470 -11.076 4.034 1.00 5.33 H new ATOM 0 HZ3 LYS A 74 1.407 -11.464 5.301 1.00 5.33 H new ATOM 1198 N TRP A 75 1.686 -5.053 9.946 1.00 72.33 N ATOM 1199 CA TRP A 75 1.037 -4.670 11.194 1.00 14.13 C ATOM 1200 C TRP A 75 -0.240 -3.881 10.924 1.00 3.32 C ATOM 1201 O TRP A 75 -1.110 -3.776 11.788 1.00 14.25 O ATOM 1202 CB TRP A 75 1.991 -3.841 12.056 1.00 51.15 C ATOM 1203 CG TRP A 75 2.093 -2.410 11.620 1.00 20.34 C ATOM 1204 CD1 TRP A 75 2.140 -1.945 10.337 1.00 32.41 C ATOM 1205 CD2 TRP A 75 2.163 -1.259 12.469 1.00 20.40 C ATOM 1206 NE1 TRP A 75 2.235 -0.575 10.337 1.00 54.41 N ATOM 1207 CE2 TRP A 75 2.250 -0.129 11.632 1.00 32.53 C ATOM 1208 CE3 TRP A 75 2.159 -1.073 13.854 1.00 53.01 C ATOM 1209 CZ2 TRP A 75 2.333 1.166 12.137 1.00 74.51 C ATOM 1210 CZ3 TRP A 75 2.241 0.213 14.353 1.00 23.12 C ATOM 1211 CH2 TRP A 75 2.326 1.319 13.497 1.00 65.42 C ATOM 0 H TRP A 75 2.565 -4.569 9.762 1.00 72.33 H new ATOM 0 HA TRP A 75 0.772 -5.581 11.731 1.00 14.13 H new ATOM 0 HB2 TRP A 75 1.655 -3.875 13.092 1.00 51.15 H new ATOM 0 HB3 TRP A 75 2.982 -4.294 12.027 1.00 51.15 H new ATOM 0 HD1 TRP A 75 2.107 -2.564 9.452 1.00 32.41 H new ATOM 0 HE1 TRP A 75 2.286 0.015 9.507 1.00 54.41 H new ATOM 0 HE3 TRP A 75 2.093 -1.919 14.522 1.00 53.01 H new ATOM 0 HZ2 TRP A 75 2.401 2.020 11.479 1.00 74.51 H new ATOM 0 HZ3 TRP A 75 2.240 0.368 15.422 1.00 23.12 H new ATOM 0 HH2 TRP A 75 2.387 2.311 13.919 1.00 65.42 H new ATOM 1222 N TYR A 76 -0.345 -3.328 9.721 1.00 3.21 N ATOM 1223 CA TYR A 76 -1.515 -2.546 9.339 1.00 64.14 C ATOM 1224 C TYR A 76 -2.307 -3.252 8.243 1.00 34.31 C ATOM 1225 O TYR A 76 -3.522 -3.426 8.352 1.00 0.34 O ATOM 1226 CB TYR A 76 -1.091 -1.156 8.862 1.00 53.33 C ATOM 1227 CG TYR A 76 -1.313 -0.070 9.890 1.00 4.50 C ATOM 1228 CD1 TYR A 76 -2.469 -0.039 10.660 1.00 63.21 C ATOM 1229 CD2 TYR A 76 -0.365 0.926 10.092 1.00 4.12 C ATOM 1230 CE1 TYR A 76 -2.675 0.952 11.600 1.00 71.22 C ATOM 1231 CE2 TYR A 76 -0.562 1.920 11.031 1.00 0.30 C ATOM 1232 CZ TYR A 76 -1.719 1.929 11.782 1.00 41.11 C ATOM 1233 OH TYR A 76 -1.920 2.917 12.718 1.00 12.22 O ATOM 0 H TYR A 76 0.366 -3.407 8.994 1.00 3.21 H new ATOM 0 HA TYR A 76 -2.154 -2.443 10.216 1.00 64.14 H new ATOM 0 HB2 TYR A 76 -0.035 -1.180 8.593 1.00 53.33 H new ATOM 0 HB3 TYR A 76 -1.645 -0.907 7.957 1.00 53.33 H new ATOM 0 HD1 TYR A 76 -3.220 -0.803 10.521 1.00 63.21 H new ATOM 0 HD2 TYR A 76 0.541 0.923 9.505 1.00 4.12 H new ATOM 0 HE1 TYR A 76 -3.580 0.962 12.189 1.00 71.22 H new ATOM 0 HE2 TYR A 76 0.186 2.686 11.176 1.00 0.30 H new ATOM 0 HH TYR A 76 -1.073 3.377 12.895 1.00 12.22 H new ATOM 1243 N LEU A 77 -1.611 -3.659 7.187 1.00 55.40 N ATOM 1244 CA LEU A 77 -2.248 -4.347 6.070 1.00 75.51 C ATOM 1245 C LEU A 77 -2.624 -5.775 6.453 1.00 30.33 C ATOM 1246 O LEU A 77 -3.362 -6.448 5.735 1.00 62.22 O ATOM 1247 CB LEU A 77 -1.318 -4.361 4.856 1.00 23.30 C ATOM 1248 CG LEU A 77 -1.003 -3.000 4.236 1.00 51.51 C ATOM 1249 CD1 LEU A 77 -0.069 -3.158 3.046 1.00 2.34 C ATOM 1250 CD2 LEU A 77 -2.285 -2.294 3.819 1.00 35.21 C ATOM 0 H LEU A 77 -0.605 -3.524 7.081 1.00 55.40 H new ATOM 0 HA LEU A 77 -3.160 -3.806 5.815 1.00 75.51 H new ATOM 0 HB2 LEU A 77 -0.379 -4.831 5.148 1.00 23.30 H new ATOM 0 HB3 LEU A 77 -1.765 -4.993 4.088 1.00 23.30 H new ATOM 0 HG LEU A 77 -0.502 -2.388 4.986 1.00 51.51 H new ATOM 0 HD11 LEU A 77 0.144 -2.178 2.618 1.00 2.34 H new ATOM 0 HD12 LEU A 77 0.862 -3.621 3.373 1.00 2.34 H new ATOM 0 HD13 LEU A 77 -0.542 -3.788 2.293 1.00 2.34 H new ATOM 0 HD21 LEU A 77 -2.041 -1.327 3.380 1.00 35.21 H new ATOM 0 HD22 LEU A 77 -2.814 -2.903 3.086 1.00 35.21 H new ATOM 0 HD23 LEU A 77 -2.920 -2.146 4.693 1.00 35.21 H new ATOM 1262 N GLY A 78 -2.112 -6.231 7.593 1.00 52.21 N ATOM 1263 CA GLY A 78 -2.407 -7.575 8.053 1.00 22.23 C ATOM 1264 C GLY A 78 -1.790 -8.640 7.168 1.00 42.53 C ATOM 1265 O GLY A 78 -1.514 -8.396 5.993 1.00 0.05 O ATOM 0 H GLY A 78 -1.499 -5.693 8.205 1.00 52.21 H new ATOM 0 HA2 GLY A 78 -2.039 -7.696 9.072 1.00 22.23 H new ATOM 0 HA3 GLY A 78 -3.487 -7.715 8.086 1.00 22.23 H new ATOM 1269 N ALA A 79 -1.571 -9.823 7.732 1.00 53.20 N ATOM 1270 CA ALA A 79 -0.983 -10.928 6.986 1.00 72.15 C ATOM 1271 C ALA A 79 -2.000 -11.551 6.035 1.00 42.34 C ATOM 1272 O ALA A 79 -1.636 -12.097 4.993 1.00 20.32 O ATOM 1273 CB ALA A 79 -0.438 -11.979 7.941 1.00 74.40 C ATOM 0 H ALA A 79 -1.792 -10.041 8.704 1.00 53.20 H new ATOM 0 HA ALA A 79 -0.160 -10.534 6.389 1.00 72.15 H new ATOM 0 HB1 ALA A 79 -0.002 -12.798 7.370 1.00 74.40 H new ATOM 0 HB2 ALA A 79 0.327 -11.532 8.576 1.00 74.40 H new ATOM 0 HB3 ALA A 79 -1.248 -12.361 8.563 1.00 74.40 H new ATOM 1279 N ARG A 80 -3.275 -11.465 6.400 1.00 43.11 N ATOM 1280 CA ARG A 80 -4.344 -12.022 5.580 1.00 44.14 C ATOM 1281 C ARG A 80 -4.257 -11.502 4.148 1.00 61.45 C ATOM 1282 O ARG A 80 -4.621 -12.200 3.200 1.00 20.54 O ATOM 1283 CB ARG A 80 -5.708 -11.675 6.178 1.00 51.53 C ATOM 1284 CG ARG A 80 -5.850 -12.067 7.639 1.00 32.12 C ATOM 1285 CD ARG A 80 -7.129 -12.852 7.883 1.00 34.32 C ATOM 1286 NE ARG A 80 -8.322 -12.047 7.635 1.00 40.25 N ATOM 1287 CZ ARG A 80 -9.559 -12.527 7.697 1.00 51.34 C ATOM 1288 NH1 ARG A 80 -9.765 -13.801 7.998 1.00 21.31 N ATOM 1289 NH2 ARG A 80 -10.594 -11.731 7.457 1.00 5.13 N ATOM 0 H ARG A 80 -3.593 -11.015 7.258 1.00 43.11 H new ATOM 0 HA ARG A 80 -4.228 -13.106 5.563 1.00 44.14 H new ATOM 0 HB2 ARG A 80 -5.876 -10.602 6.080 1.00 51.53 H new ATOM 0 HB3 ARG A 80 -6.486 -12.173 5.600 1.00 51.53 H new ATOM 0 HG2 ARG A 80 -4.991 -12.666 7.941 1.00 32.12 H new ATOM 0 HG3 ARG A 80 -5.848 -11.171 8.259 1.00 32.12 H new ATOM 0 HD2 ARG A 80 -7.144 -13.730 7.237 1.00 34.32 H new ATOM 0 HD3 ARG A 80 -7.142 -13.212 8.912 1.00 34.32 H new ATOM 0 HE ARG A 80 -8.199 -11.062 7.401 1.00 40.25 H new ATOM 0 HH11 ARG A 80 -8.972 -14.416 8.183 1.00 21.31 H new ATOM 0 HH12 ARG A 80 -10.716 -14.167 8.045 1.00 21.31 H new ATOM 0 HH21 ARG A 80 -10.440 -10.750 7.225 1.00 5.13 H new ATOM 0 HH22 ARG A 80 -11.543 -12.101 7.505 1.00 5.13 H new ATOM 1303 N CYS A 81 -3.773 -10.274 3.998 1.00 75.34 N ATOM 1304 CA CYS A 81 -3.640 -9.661 2.681 1.00 12.51 C ATOM 1305 C CYS A 81 -2.194 -9.716 2.199 1.00 10.55 C ATOM 1306 O CYS A 81 -1.259 -9.598 2.993 1.00 55.03 O ATOM 1307 CB CYS A 81 -4.122 -8.210 2.721 1.00 54.33 C ATOM 1308 SG CYS A 81 -4.028 -7.357 1.129 1.00 4.43 S ATOM 0 H CYS A 81 -3.466 -9.684 4.771 1.00 75.34 H new ATOM 0 HA CYS A 81 -4.258 -10.223 1.981 1.00 12.51 H new ATOM 0 HB2 CYS A 81 -5.154 -8.191 3.071 1.00 54.33 H new ATOM 0 HB3 CYS A 81 -3.527 -7.661 3.451 1.00 54.33 H new ATOM 0 HG CYS A 81 -4.820 -6.326 1.141 1.00 4.43 H new ATOM 1314 N HIS A 82 -2.017 -9.897 0.895 1.00 42.34 N ATOM 1315 CA HIS A 82 -0.684 -9.969 0.307 1.00 42.42 C ATOM 1316 C HIS A 82 -0.129 -8.572 0.045 1.00 13.40 C ATOM 1317 O HIS A 82 -0.794 -7.734 -0.565 1.00 55.10 O ATOM 1318 CB HIS A 82 -0.720 -10.768 -0.996 1.00 53.11 C ATOM 1319 CG HIS A 82 0.632 -11.202 -1.471 1.00 3.14 C ATOM 1320 ND1 HIS A 82 1.383 -12.163 -0.827 1.00 2.21 N ATOM 1321 CD2 HIS A 82 1.368 -10.802 -2.534 1.00 0.41 C ATOM 1322 CE1 HIS A 82 2.523 -12.333 -1.473 1.00 30.44 C ATOM 1323 NE2 HIS A 82 2.538 -11.519 -2.513 1.00 24.42 N ATOM 0 H HIS A 82 -2.779 -9.997 0.225 1.00 42.34 H new ATOM 0 HA HIS A 82 -0.029 -10.474 1.016 1.00 42.42 H new ATOM 0 HB2 HIS A 82 -1.346 -11.649 -0.855 1.00 53.11 H new ATOM 0 HB3 HIS A 82 -1.191 -10.163 -1.771 1.00 53.11 H new ATOM 0 HD2 HIS A 82 1.087 -10.057 -3.263 1.00 0.41 H new ATOM 0 HE1 HIS A 82 3.309 -13.021 -1.197 1.00 30.44 H new ATOM 0 HE2 HIS A 82 3.296 -11.437 -3.191 1.00 24.42 H new ATOM 1331 N ILE A 83 1.091 -8.328 0.511 1.00 40.24 N ATOM 1332 CA ILE A 83 1.734 -7.033 0.326 1.00 11.31 C ATOM 1333 C ILE A 83 2.934 -7.143 -0.609 1.00 14.43 C ATOM 1334 O ILE A 83 3.694 -8.108 -0.547 1.00 72.32 O ATOM 1335 CB ILE A 83 2.197 -6.438 1.669 1.00 13.41 C ATOM 1336 CG1 ILE A 83 1.216 -6.811 2.782 1.00 13.14 C ATOM 1337 CG2 ILE A 83 2.332 -4.926 1.560 1.00 62.20 C ATOM 1338 CD1 ILE A 83 1.586 -6.236 4.132 1.00 54.13 C ATOM 0 H ILE A 83 1.654 -9.010 1.019 1.00 40.24 H new ATOM 0 HA ILE A 83 0.990 -6.372 -0.118 1.00 11.31 H new ATOM 0 HB ILE A 83 3.174 -6.854 1.916 1.00 13.41 H new ATOM 0 HG12 ILE A 83 0.220 -6.463 2.509 1.00 13.14 H new ATOM 0 HG13 ILE A 83 1.164 -7.897 2.861 1.00 13.14 H new ATOM 0 HG21 ILE A 83 2.660 -4.520 2.517 1.00 62.20 H new ATOM 0 HG22 ILE A 83 3.065 -4.681 0.791 1.00 62.20 H new ATOM 0 HG23 ILE A 83 1.368 -4.493 1.293 1.00 62.20 H new ATOM 0 HD11 ILE A 83 0.847 -6.541 4.872 1.00 54.13 H new ATOM 0 HD12 ILE A 83 2.569 -6.604 4.427 1.00 54.13 H new ATOM 0 HD13 ILE A 83 1.610 -5.148 4.070 1.00 54.13 H new ATOM 1350 N GLU A 84 3.097 -6.145 -1.472 1.00 63.44 N ATOM 1351 CA GLU A 84 4.206 -6.130 -2.420 1.00 31.34 C ATOM 1352 C GLU A 84 4.699 -4.706 -2.657 1.00 5.11 C ATOM 1353 O GLU A 84 4.017 -3.736 -2.325 1.00 30.51 O ATOM 1354 CB GLU A 84 3.781 -6.762 -3.747 1.00 34.13 C ATOM 1355 CG GLU A 84 4.257 -8.195 -3.919 1.00 14.21 C ATOM 1356 CD GLU A 84 3.384 -8.989 -4.872 1.00 4.31 C ATOM 1357 OE1 GLU A 84 2.450 -8.399 -5.453 1.00 12.21 O ATOM 1358 OE2 GLU A 84 3.637 -10.201 -5.037 1.00 3.34 O ATOM 0 H GLU A 84 2.477 -5.338 -1.535 1.00 63.44 H new ATOM 0 HA GLU A 84 5.023 -6.713 -1.994 1.00 31.34 H new ATOM 0 HB2 GLU A 84 2.694 -6.738 -3.819 1.00 34.13 H new ATOM 0 HB3 GLU A 84 4.168 -6.158 -4.568 1.00 34.13 H new ATOM 0 HG2 GLU A 84 5.282 -8.191 -4.289 1.00 14.21 H new ATOM 0 HG3 GLU A 84 4.270 -8.689 -2.947 1.00 14.21 H new ATOM 1365 N LYS A 85 5.891 -4.587 -3.233 1.00 73.32 N ATOM 1366 CA LYS A 85 6.478 -3.283 -3.517 1.00 14.14 C ATOM 1367 C LYS A 85 5.922 -2.707 -4.815 1.00 42.12 C ATOM 1368 O LYS A 85 5.860 -3.395 -5.834 1.00 1.23 O ATOM 1369 CB LYS A 85 8.001 -3.395 -3.607 1.00 2.05 C ATOM 1370 CG LYS A 85 8.479 -4.319 -4.714 1.00 11.44 C ATOM 1371 CD LYS A 85 9.955 -4.646 -4.568 1.00 65.32 C ATOM 1372 CE LYS A 85 10.744 -4.225 -5.799 1.00 12.33 C ATOM 1373 NZ LYS A 85 12.117 -4.802 -5.803 1.00 14.15 N ATOM 0 H LYS A 85 6.470 -5.379 -3.512 1.00 73.32 H new ATOM 0 HA LYS A 85 6.217 -2.610 -2.701 1.00 14.14 H new ATOM 0 HB2 LYS A 85 8.421 -2.402 -3.767 1.00 2.05 H new ATOM 0 HB3 LYS A 85 8.387 -3.754 -2.653 1.00 2.05 H new ATOM 0 HG2 LYS A 85 7.898 -5.241 -4.696 1.00 11.44 H new ATOM 0 HG3 LYS A 85 8.303 -3.850 -5.682 1.00 11.44 H new ATOM 0 HD2 LYS A 85 10.355 -4.142 -3.688 1.00 65.32 H new ATOM 0 HD3 LYS A 85 10.077 -5.717 -4.405 1.00 65.32 H new ATOM 0 HE2 LYS A 85 10.214 -4.544 -6.696 1.00 12.33 H new ATOM 0 HE3 LYS A 85 10.807 -3.137 -5.835 1.00 12.33 H new ATOM 0 HZ1 LYS A 85 12.622 -4.491 -6.658 1.00 14.15 H new ATOM 0 HZ2 LYS A 85 12.632 -4.478 -4.960 1.00 14.15 H new ATOM 0 HZ3 LYS A 85 12.057 -5.840 -5.794 1.00 14.15 H new ATOM 1387 N ALA A 86 5.521 -1.441 -4.772 1.00 10.34 N ATOM 1388 CA ALA A 86 4.974 -0.772 -5.946 1.00 4.33 C ATOM 1389 C ALA A 86 6.082 -0.151 -6.789 1.00 45.43 C ATOM 1390 O ALA A 86 7.179 0.114 -6.296 1.00 31.04 O ATOM 1391 CB ALA A 86 3.968 0.290 -5.527 1.00 45.54 C ATOM 0 H ALA A 86 5.565 -0.858 -3.936 1.00 10.34 H new ATOM 0 HA ALA A 86 4.465 -1.519 -6.555 1.00 4.33 H new ATOM 0 HB1 ALA A 86 3.567 0.782 -6.414 1.00 45.54 H new ATOM 0 HB2 ALA A 86 3.154 -0.178 -4.973 1.00 45.54 H new ATOM 0 HB3 ALA A 86 4.461 1.028 -4.894 1.00 45.54 H new ATOM 1397 N LYS A 87 5.790 0.079 -8.065 1.00 2.41 N ATOM 1398 CA LYS A 87 6.761 0.670 -8.978 1.00 61.03 C ATOM 1399 C LYS A 87 6.097 1.700 -9.887 1.00 21.14 C ATOM 1400 O LYS A 87 4.935 1.554 -10.261 1.00 74.54 O ATOM 1401 CB LYS A 87 7.425 -0.419 -9.824 1.00 74.22 C ATOM 1402 CG LYS A 87 6.525 -0.975 -10.914 1.00 72.41 C ATOM 1403 CD LYS A 87 6.515 -2.495 -10.908 1.00 44.10 C ATOM 1404 CE LYS A 87 5.227 -3.047 -11.499 1.00 43.33 C ATOM 1405 NZ LYS A 87 5.179 -4.534 -11.434 1.00 1.45 N ATOM 0 H LYS A 87 4.888 -0.135 -8.490 1.00 2.41 H new ATOM 0 HA LYS A 87 7.522 1.174 -8.382 1.00 61.03 H new ATOM 0 HB2 LYS A 87 8.327 -0.013 -10.281 1.00 74.22 H new ATOM 0 HB3 LYS A 87 7.738 -1.234 -9.172 1.00 74.22 H new ATOM 0 HG2 LYS A 87 5.510 -0.603 -10.774 1.00 72.41 H new ATOM 0 HG3 LYS A 87 6.865 -0.616 -11.886 1.00 72.41 H new ATOM 0 HD2 LYS A 87 7.367 -2.868 -11.477 1.00 44.10 H new ATOM 0 HD3 LYS A 87 6.632 -2.856 -9.886 1.00 44.10 H new ATOM 0 HE2 LYS A 87 4.374 -2.632 -10.962 1.00 43.33 H new ATOM 0 HE3 LYS A 87 5.137 -2.726 -12.537 1.00 43.33 H new ATOM 0 HZ1 LYS A 87 4.286 -4.871 -11.847 1.00 1.45 H new ATOM 0 HZ2 LYS A 87 5.978 -4.931 -11.968 1.00 1.45 H new ATOM 0 HZ3 LYS A 87 5.239 -4.840 -10.442 1.00 1.45 H new ATOM 1419 N GLY A 88 6.845 2.742 -10.238 1.00 73.13 N ATOM 1420 CA GLY A 88 6.312 3.780 -11.101 1.00 74.11 C ATOM 1421 C GLY A 88 6.128 5.098 -10.376 1.00 51.54 C ATOM 1422 O GLY A 88 6.775 5.353 -9.360 1.00 11.12 O ATOM 0 H GLY A 88 7.810 2.886 -9.940 1.00 73.13 H new ATOM 0 HA2 GLY A 88 6.983 3.925 -11.947 1.00 74.11 H new ATOM 0 HA3 GLY A 88 5.354 3.455 -11.506 1.00 74.11 H new ATOM 1426 N THR A 89 5.244 5.942 -10.900 1.00 51.03 N ATOM 1427 CA THR A 89 4.979 7.243 -10.299 1.00 30.33 C ATOM 1428 C THR A 89 3.597 7.280 -9.656 1.00 2.10 C ATOM 1429 O THR A 89 2.819 6.334 -9.780 1.00 11.25 O ATOM 1430 CB THR A 89 5.079 8.374 -11.339 1.00 64.03 C ATOM 1431 OG1 THR A 89 3.932 8.355 -12.196 1.00 12.24 O ATOM 1432 CG2 THR A 89 6.343 8.231 -12.174 1.00 4.14 C ATOM 0 H THR A 89 4.699 5.747 -11.740 1.00 51.03 H new ATOM 0 HA THR A 89 5.738 7.397 -9.532 1.00 30.33 H new ATOM 0 HB THR A 89 5.119 9.324 -10.806 1.00 64.03 H new ATOM 0 HG1 THR A 89 4.003 9.078 -12.853 1.00 12.24 H new ATOM 0 HG21 THR A 89 6.392 9.041 -12.902 1.00 4.14 H new ATOM 0 HG22 THR A 89 7.216 8.275 -11.523 1.00 4.14 H new ATOM 0 HG23 THR A 89 6.328 7.274 -12.696 1.00 4.14 H new ATOM 1440 N ASP A 90 3.298 8.378 -8.971 1.00 23.05 N ATOM 1441 CA ASP A 90 2.008 8.539 -8.309 1.00 45.25 C ATOM 1442 C ASP A 90 0.865 8.419 -9.312 1.00 42.22 C ATOM 1443 O ASP A 90 -0.168 7.819 -9.020 1.00 33.34 O ATOM 1444 CB ASP A 90 1.941 9.892 -7.600 1.00 12.35 C ATOM 1445 CG ASP A 90 0.585 10.150 -6.972 1.00 20.52 C ATOM 1446 OD1 ASP A 90 -0.338 10.567 -7.703 1.00 31.54 O ATOM 1447 OD2 ASP A 90 0.447 9.933 -5.750 1.00 12.11 O ATOM 0 H ASP A 90 3.931 9.170 -8.859 1.00 23.05 H new ATOM 0 HA ASP A 90 1.904 7.745 -7.570 1.00 45.25 H new ATOM 0 HB2 ASP A 90 2.709 9.933 -6.828 1.00 12.35 H new ATOM 0 HB3 ASP A 90 2.164 10.685 -8.314 1.00 12.35 H new ATOM 1452 N GLN A 91 1.059 8.995 -10.494 1.00 54.52 N ATOM 1453 CA GLN A 91 0.042 8.954 -11.539 1.00 44.20 C ATOM 1454 C GLN A 91 -0.185 7.525 -12.022 1.00 5.34 C ATOM 1455 O GLN A 91 -1.308 7.141 -12.346 1.00 0.45 O ATOM 1456 CB GLN A 91 0.453 9.843 -12.714 1.00 72.15 C ATOM 1457 CG GLN A 91 0.075 11.304 -12.533 1.00 41.22 C ATOM 1458 CD GLN A 91 -1.362 11.588 -12.922 1.00 74.00 C ATOM 1459 OE1 GLN A 91 -1.684 11.719 -14.103 1.00 62.14 O ATOM 1460 NE2 GLN A 91 -2.237 11.684 -11.927 1.00 41.54 N ATOM 0 H GLN A 91 1.910 9.495 -10.752 1.00 54.52 H new ATOM 0 HA GLN A 91 -0.891 9.328 -11.118 1.00 44.20 H new ATOM 0 HB2 GLN A 91 1.532 9.770 -12.854 1.00 72.15 H new ATOM 0 HB3 GLN A 91 -0.013 9.466 -13.624 1.00 72.15 H new ATOM 0 HG2 GLN A 91 0.229 11.589 -11.492 1.00 41.22 H new ATOM 0 HG3 GLN A 91 0.739 11.924 -13.134 1.00 41.22 H new ATOM 0 HE21 GLN A 91 -1.927 11.568 -10.962 1.00 41.54 H new ATOM 0 HE22 GLN A 91 -3.219 11.873 -12.128 1.00 41.54 H new ATOM 1469 N GLN A 92 0.889 6.744 -12.067 1.00 25.32 N ATOM 1470 CA GLN A 92 0.807 5.357 -12.511 1.00 54.41 C ATOM 1471 C GLN A 92 0.064 4.502 -11.490 1.00 25.23 C ATOM 1472 O GLN A 92 -0.685 3.596 -11.852 1.00 10.10 O ATOM 1473 CB GLN A 92 2.208 4.791 -12.747 1.00 73.30 C ATOM 1474 CG GLN A 92 2.707 4.977 -14.171 1.00 24.44 C ATOM 1475 CD GLN A 92 3.411 3.746 -14.708 1.00 21.15 C ATOM 1476 OE1 GLN A 92 2.769 2.793 -15.150 1.00 20.35 O ATOM 1477 NE2 GLN A 92 4.738 3.760 -14.672 1.00 65.11 N ATOM 0 H GLN A 92 1.826 7.047 -11.802 1.00 25.32 H new ATOM 0 HA GLN A 92 0.252 5.334 -13.449 1.00 54.41 H new ATOM 0 HB2 GLN A 92 2.905 5.271 -12.061 1.00 73.30 H new ATOM 0 HB3 GLN A 92 2.206 3.728 -12.507 1.00 73.30 H new ATOM 0 HG2 GLN A 92 1.865 5.220 -14.818 1.00 24.44 H new ATOM 0 HG3 GLN A 92 3.390 5.825 -14.205 1.00 24.44 H new ATOM 0 HE21 GLN A 92 5.229 4.571 -14.297 1.00 65.11 H new ATOM 0 HE22 GLN A 92 5.266 2.959 -15.019 1.00 65.11 H new ATOM 1486 N ASN A 93 0.279 4.796 -10.211 1.00 61.34 N ATOM 1487 CA ASN A 93 -0.369 4.052 -9.137 1.00 40.30 C ATOM 1488 C ASN A 93 -1.813 4.508 -8.954 1.00 53.53 C ATOM 1489 O ASN A 93 -2.709 3.695 -8.726 1.00 10.22 O ATOM 1490 CB ASN A 93 0.403 4.230 -7.828 1.00 61.31 C ATOM 1491 CG ASN A 93 1.657 3.378 -7.777 1.00 1.54 C ATOM 1492 OD1 ASN A 93 2.416 3.377 -8.866 1.00 10.42 O flip ATOM 1493 ND2 ASN A 93 1.940 2.730 -6.769 1.00 60.24 N flip ATOM 0 H ASN A 93 0.896 5.543 -9.894 1.00 61.34 H new ATOM 0 HA ASN A 93 -0.371 2.997 -9.410 1.00 40.30 H new ATOM 0 HB2 ASN A 93 0.674 5.279 -7.709 1.00 61.31 H new ATOM 0 HB3 ASN A 93 -0.244 3.971 -6.990 1.00 61.31 H new ATOM 0 HD21 ASN A 93 1.327 2.761 -5.954 1.00 60.24 H new ATOM 0 HD22 ASN A 93 2.787 2.163 -6.749 1.00 60.24 H new ATOM 1500 N LYS A 94 -2.033 5.815 -9.057 1.00 61.12 N ATOM 1501 CA LYS A 94 -3.368 6.381 -8.906 1.00 1.15 C ATOM 1502 C LYS A 94 -4.311 5.845 -9.977 1.00 73.15 C ATOM 1503 O LYS A 94 -5.430 5.427 -9.679 1.00 43.25 O ATOM 1504 CB LYS A 94 -3.308 7.908 -8.981 1.00 51.45 C ATOM 1505 CG LYS A 94 -4.640 8.584 -8.705 1.00 73.24 C ATOM 1506 CD LYS A 94 -4.491 10.093 -8.611 1.00 34.02 C ATOM 1507 CE LYS A 94 -5.841 10.791 -8.675 1.00 11.31 C ATOM 1508 NZ LYS A 94 -5.704 12.272 -8.589 1.00 33.33 N ATOM 0 H LYS A 94 -1.303 6.502 -9.245 1.00 61.12 H new ATOM 0 HA LYS A 94 -3.752 6.086 -7.929 1.00 1.15 H new ATOM 0 HB2 LYS A 94 -2.571 8.270 -8.264 1.00 51.45 H new ATOM 0 HB3 LYS A 94 -2.960 8.201 -9.971 1.00 51.45 H new ATOM 0 HG2 LYS A 94 -5.346 8.336 -9.498 1.00 73.24 H new ATOM 0 HG3 LYS A 94 -5.058 8.200 -7.774 1.00 73.24 H new ATOM 0 HD2 LYS A 94 -3.990 10.353 -7.679 1.00 34.02 H new ATOM 0 HD3 LYS A 94 -3.857 10.449 -9.424 1.00 34.02 H new ATOM 0 HE2 LYS A 94 -6.343 10.526 -9.605 1.00 11.31 H new ATOM 0 HE3 LYS A 94 -6.472 10.437 -7.860 1.00 11.31 H new ATOM 0 HZ1 LYS A 94 -6.646 12.711 -8.636 1.00 33.33 H new ATOM 0 HZ2 LYS A 94 -5.248 12.527 -7.690 1.00 33.33 H new ATOM 0 HZ3 LYS A 94 -5.123 12.613 -9.381 1.00 33.33 H new ATOM 1522 N GLU A 95 -3.852 5.859 -11.225 1.00 24.42 N ATOM 1523 CA GLU A 95 -4.656 5.373 -12.340 1.00 23.41 C ATOM 1524 C GLU A 95 -4.817 3.857 -12.275 1.00 24.54 C ATOM 1525 O GLU A 95 -5.867 3.317 -12.624 1.00 1.31 O ATOM 1526 CB GLU A 95 -4.016 5.772 -13.671 1.00 64.32 C ATOM 1527 CG GLU A 95 -4.514 7.102 -14.212 1.00 24.44 C ATOM 1528 CD GLU A 95 -5.245 6.958 -15.532 1.00 71.30 C ATOM 1529 OE1 GLU A 95 -6.386 6.450 -15.525 1.00 71.20 O ATOM 1530 OE2 GLU A 95 -4.677 7.352 -16.572 1.00 12.33 O ATOM 0 H GLU A 95 -2.928 6.201 -11.489 1.00 24.42 H new ATOM 0 HA GLU A 95 -5.643 5.829 -12.268 1.00 23.41 H new ATOM 0 HB2 GLU A 95 -2.935 5.823 -13.544 1.00 64.32 H new ATOM 0 HB3 GLU A 95 -4.214 4.993 -14.407 1.00 64.32 H new ATOM 0 HG2 GLU A 95 -5.179 7.561 -13.481 1.00 24.44 H new ATOM 0 HG3 GLU A 95 -3.668 7.777 -14.341 1.00 24.44 H new ATOM 1537 N TYR A 96 -3.768 3.175 -11.826 1.00 14.34 N ATOM 1538 CA TYR A 96 -3.791 1.721 -11.717 1.00 53.50 C ATOM 1539 C TYR A 96 -4.940 1.260 -10.825 1.00 63.31 C ATOM 1540 O TYR A 96 -5.673 0.332 -11.169 1.00 54.31 O ATOM 1541 CB TYR A 96 -2.461 1.210 -11.161 1.00 74.30 C ATOM 1542 CG TYR A 96 -2.437 -0.284 -10.929 1.00 30.25 C ATOM 1543 CD1 TYR A 96 -2.044 -1.158 -11.935 1.00 11.31 C ATOM 1544 CD2 TYR A 96 -2.806 -0.822 -9.702 1.00 12.04 C ATOM 1545 CE1 TYR A 96 -2.021 -2.523 -11.727 1.00 32.11 C ATOM 1546 CE2 TYR A 96 -2.785 -2.186 -9.484 1.00 61.11 C ATOM 1547 CZ TYR A 96 -2.392 -3.032 -10.500 1.00 32.40 C ATOM 1548 OH TYR A 96 -2.369 -4.392 -10.288 1.00 54.04 O ATOM 0 H TYR A 96 -2.892 3.606 -11.532 1.00 14.34 H new ATOM 0 HA TYR A 96 -3.942 1.309 -12.715 1.00 53.50 H new ATOM 0 HB2 TYR A 96 -1.662 1.475 -11.853 1.00 74.30 H new ATOM 0 HB3 TYR A 96 -2.250 1.719 -10.220 1.00 74.30 H new ATOM 0 HD1 TYR A 96 -1.751 -0.763 -12.897 1.00 11.31 H new ATOM 0 HD2 TYR A 96 -3.115 -0.162 -8.905 1.00 12.04 H new ATOM 0 HE1 TYR A 96 -1.714 -3.188 -12.521 1.00 32.11 H new ATOM 0 HE2 TYR A 96 -3.074 -2.587 -8.524 1.00 61.11 H new ATOM 0 HH TYR A 96 -2.758 -4.593 -9.411 1.00 54.04 H new ATOM 1558 N CYS A 97 -5.089 1.914 -9.679 1.00 30.34 N ATOM 1559 CA CYS A 97 -6.148 1.571 -8.736 1.00 1.45 C ATOM 1560 C CYS A 97 -7.518 1.921 -9.307 1.00 34.45 C ATOM 1561 O CYS A 97 -8.500 1.218 -9.065 1.00 62.14 O ATOM 1562 CB CYS A 97 -5.933 2.302 -7.409 1.00 35.30 C ATOM 1563 SG CYS A 97 -4.407 1.846 -6.554 1.00 2.30 S ATOM 0 H CYS A 97 -4.491 2.684 -9.380 1.00 30.34 H new ATOM 0 HA CYS A 97 -6.111 0.496 -8.561 1.00 1.45 H new ATOM 0 HB2 CYS A 97 -5.925 3.376 -7.595 1.00 35.30 H new ATOM 0 HB3 CYS A 97 -6.779 2.098 -6.753 1.00 35.30 H new ATOM 0 HG CYS A 97 -3.395 2.412 -7.141 1.00 2.30 H new ATOM 1569 N SER A 98 -7.578 3.012 -10.063 1.00 61.33 N ATOM 1570 CA SER A 98 -8.829 3.458 -10.664 1.00 73.24 C ATOM 1571 C SER A 98 -9.159 2.635 -11.906 1.00 34.42 C ATOM 1572 O SER A 98 -10.276 2.688 -12.422 1.00 41.02 O ATOM 1573 CB SER A 98 -8.744 4.941 -11.030 1.00 21.12 C ATOM 1574 OG SER A 98 -9.989 5.422 -11.505 1.00 74.40 O ATOM 0 H SER A 98 -6.774 3.604 -10.274 1.00 61.33 H new ATOM 0 HA SER A 98 -9.625 3.316 -9.933 1.00 73.24 H new ATOM 0 HB2 SER A 98 -8.437 5.517 -10.157 1.00 21.12 H new ATOM 0 HB3 SER A 98 -7.979 5.087 -11.793 1.00 21.12 H new ATOM 0 HG SER A 98 -10.538 4.668 -11.806 1.00 74.40 H new ATOM 1580 N LYS A 99 -8.180 1.873 -12.381 1.00 23.04 N ATOM 1581 CA LYS A 99 -8.364 1.036 -13.561 1.00 4.44 C ATOM 1582 C LYS A 99 -9.516 0.057 -13.359 1.00 41.53 C ATOM 1583 O LYS A 99 -10.120 -0.410 -14.324 1.00 11.21 O ATOM 1584 CB LYS A 99 -7.077 0.269 -13.872 1.00 61.14 C ATOM 1585 CG LYS A 99 -7.178 -0.611 -15.106 1.00 65.32 C ATOM 1586 CD LYS A 99 -6.932 -2.073 -14.770 1.00 53.32 C ATOM 1587 CE LYS A 99 -5.541 -2.286 -14.194 1.00 20.30 C ATOM 1588 NZ LYS A 99 -4.811 -3.377 -14.898 1.00 4.25 N ATOM 0 H LYS A 99 -7.250 1.818 -11.966 1.00 23.04 H new ATOM 0 HA LYS A 99 -8.606 1.685 -14.403 1.00 4.44 H new ATOM 0 HB2 LYS A 99 -6.263 0.981 -14.009 1.00 61.14 H new ATOM 0 HB3 LYS A 99 -6.817 -0.351 -13.014 1.00 61.14 H new ATOM 0 HG2 LYS A 99 -8.166 -0.501 -15.553 1.00 65.32 H new ATOM 0 HG3 LYS A 99 -6.453 -0.281 -15.850 1.00 65.32 H new ATOM 0 HD2 LYS A 99 -7.680 -2.414 -14.054 1.00 53.32 H new ATOM 0 HD3 LYS A 99 -7.052 -2.679 -15.668 1.00 53.32 H new ATOM 0 HE2 LYS A 99 -4.971 -1.360 -14.269 1.00 20.30 H new ATOM 0 HE3 LYS A 99 -5.620 -2.527 -13.134 1.00 20.30 H new ATOM 0 HZ1 LYS A 99 -3.867 -3.492 -14.476 1.00 4.25 H new ATOM 0 HZ2 LYS A 99 -5.342 -4.266 -14.805 1.00 4.25 H new ATOM 0 HZ3 LYS A 99 -4.713 -3.136 -15.905 1.00 4.25 H new ATOM 1602 N GLU A 100 -9.815 -0.247 -12.100 1.00 50.22 N ATOM 1603 CA GLU A 100 -10.896 -1.170 -11.774 1.00 42.22 C ATOM 1604 C GLU A 100 -12.256 -0.524 -12.021 1.00 11.43 C ATOM 1605 O GLU A 100 -13.279 -1.205 -12.072 1.00 11.03 O ATOM 1606 CB GLU A 100 -10.789 -1.620 -10.316 1.00 15.24 C ATOM 1607 CG GLU A 100 -9.567 -2.476 -10.030 1.00 71.14 C ATOM 1608 CD GLU A 100 -9.056 -2.309 -8.613 1.00 22.13 C ATOM 1609 OE1 GLU A 100 -9.632 -2.931 -7.696 1.00 60.53 O ATOM 1610 OE2 GLU A 100 -8.079 -1.556 -8.420 1.00 45.51 O ATOM 0 H GLU A 100 -9.325 0.132 -11.290 1.00 50.22 H new ATOM 0 HA GLU A 100 -10.804 -2.041 -12.423 1.00 42.22 H new ATOM 0 HB2 GLU A 100 -10.763 -0.739 -9.674 1.00 15.24 H new ATOM 0 HB3 GLU A 100 -11.685 -2.181 -10.051 1.00 15.24 H new ATOM 0 HG2 GLU A 100 -9.814 -3.524 -10.202 1.00 71.14 H new ATOM 0 HG3 GLU A 100 -8.774 -2.216 -10.731 1.00 71.14 H new ATOM 1617 N GLY A 101 -12.259 0.797 -12.172 1.00 45.44 N ATOM 1618 CA GLY A 101 -13.498 1.514 -12.411 1.00 4.42 C ATOM 1619 C GLY A 101 -14.262 1.792 -11.132 1.00 33.42 C ATOM 1620 O GLY A 101 -15.309 2.437 -11.154 1.00 51.44 O ATOM 0 H GLY A 101 -11.425 1.383 -12.133 1.00 45.44 H new ATOM 0 HA2 GLY A 101 -13.278 2.457 -12.912 1.00 4.42 H new ATOM 0 HA3 GLY A 101 -14.126 0.933 -13.087 1.00 4.42 H new ATOM 1624 N ASN A 102 -13.739 1.300 -10.013 1.00 52.51 N ATOM 1625 CA ASN A 102 -14.381 1.497 -8.718 1.00 53.05 C ATOM 1626 C ASN A 102 -13.366 1.942 -7.670 1.00 14.21 C ATOM 1627 O ASN A 102 -12.293 1.352 -7.539 1.00 40.40 O ATOM 1628 CB ASN A 102 -15.067 0.207 -8.265 1.00 34.21 C ATOM 1629 CG ASN A 102 -16.563 0.380 -8.086 1.00 73.40 C ATOM 1630 OD1 ASN A 102 -17.259 0.840 -8.991 1.00 61.15 O ATOM 1631 ND2 ASN A 102 -17.065 0.010 -6.913 1.00 53.34 N ATOM 0 H ASN A 102 -12.873 0.762 -9.977 1.00 52.51 H new ATOM 0 HA ASN A 102 -15.131 2.281 -8.827 1.00 53.05 H new ATOM 0 HB2 ASN A 102 -14.880 -0.578 -8.998 1.00 34.21 H new ATOM 0 HB3 ASN A 102 -14.627 -0.124 -7.324 1.00 34.21 H new ATOM 0 HD21 ASN A 102 -18.065 0.102 -6.734 1.00 53.34 H new ATOM 0 HD22 ASN A 102 -16.450 -0.366 -6.191 1.00 53.34 H new ATOM 1638 N LEU A 103 -13.713 2.986 -6.925 1.00 32.23 N ATOM 1639 CA LEU A 103 -12.833 3.511 -5.886 1.00 73.42 C ATOM 1640 C LEU A 103 -13.372 3.181 -4.498 1.00 30.51 C ATOM 1641 O LEU A 103 -14.465 3.611 -4.126 1.00 24.33 O ATOM 1642 CB LEU A 103 -12.678 5.025 -6.039 1.00 32.32 C ATOM 1643 CG LEU A 103 -11.285 5.521 -6.425 1.00 45.14 C ATOM 1644 CD1 LEU A 103 -10.322 5.373 -5.257 1.00 71.02 C ATOM 1645 CD2 LEU A 103 -10.769 4.768 -7.643 1.00 24.54 C ATOM 0 H LEU A 103 -14.597 3.486 -7.021 1.00 32.23 H new ATOM 0 HA LEU A 103 -11.857 3.039 -5.998 1.00 73.42 H new ATOM 0 HB2 LEU A 103 -13.386 5.368 -6.793 1.00 32.32 H new ATOM 0 HB3 LEU A 103 -12.962 5.496 -5.098 1.00 32.32 H new ATOM 0 HG LEU A 103 -11.355 6.579 -6.679 1.00 45.14 H new ATOM 0 HD11 LEU A 103 -9.336 5.731 -5.551 1.00 71.02 H new ATOM 0 HD12 LEU A 103 -10.683 5.958 -4.411 1.00 71.02 H new ATOM 0 HD13 LEU A 103 -10.256 4.323 -4.970 1.00 71.02 H new ATOM 0 HD21 LEU A 103 -9.776 5.134 -7.904 1.00 24.54 H new ATOM 0 HD22 LEU A 103 -10.715 3.703 -7.417 1.00 24.54 H new ATOM 0 HD23 LEU A 103 -11.446 4.927 -8.482 1.00 24.54 H new ATOM 1657 N LEU A 104 -12.598 2.416 -3.735 1.00 52.40 N ATOM 1658 CA LEU A 104 -12.996 2.030 -2.386 1.00 12.12 C ATOM 1659 C LEU A 104 -12.575 3.087 -1.370 1.00 52.41 C ATOM 1660 O LEU A 104 -13.177 3.213 -0.304 1.00 74.33 O ATOM 1661 CB LEU A 104 -12.380 0.679 -2.018 1.00 41.30 C ATOM 1662 CG LEU A 104 -12.601 0.210 -0.580 1.00 31.23 C ATOM 1663 CD1 LEU A 104 -14.087 0.091 -0.280 1.00 13.25 C ATOM 1664 CD2 LEU A 104 -11.899 -1.118 -0.338 1.00 63.32 C ATOM 0 H LEU A 104 -11.692 2.051 -4.028 1.00 52.40 H new ATOM 0 HA LEU A 104 -14.082 1.945 -2.365 1.00 12.12 H new ATOM 0 HB2 LEU A 104 -12.783 -0.077 -2.692 1.00 41.30 H new ATOM 0 HB3 LEU A 104 -11.307 0.730 -2.202 1.00 41.30 H new ATOM 0 HG LEU A 104 -12.173 0.953 0.094 1.00 31.23 H new ATOM 0 HD11 LEU A 104 -14.225 -0.244 0.748 1.00 13.25 H new ATOM 0 HD12 LEU A 104 -14.564 1.062 -0.412 1.00 13.25 H new ATOM 0 HD13 LEU A 104 -14.539 -0.631 -0.960 1.00 13.25 H new ATOM 0 HD21 LEU A 104 -12.067 -1.436 0.691 1.00 63.32 H new ATOM 0 HD22 LEU A 104 -12.297 -1.869 -1.020 1.00 63.32 H new ATOM 0 HD23 LEU A 104 -10.829 -1.001 -0.511 1.00 63.32 H new ATOM 1676 N MET A 105 -11.539 3.847 -1.710 1.00 22.05 N ATOM 1677 CA MET A 105 -11.040 4.896 -0.828 1.00 43.22 C ATOM 1678 C MET A 105 -10.182 5.893 -1.601 1.00 62.11 C ATOM 1679 O MET A 105 -9.371 5.506 -2.441 1.00 63.25 O ATOM 1680 CB MET A 105 -10.228 4.287 0.317 1.00 61.04 C ATOM 1681 CG MET A 105 -9.162 5.219 0.869 1.00 10.30 C ATOM 1682 SD MET A 105 -8.791 4.899 2.604 1.00 12.43 S ATOM 1683 CE MET A 105 -7.527 3.640 2.454 1.00 64.02 C ATOM 0 H MET A 105 -11.029 3.756 -2.589 1.00 22.05 H new ATOM 0 HA MET A 105 -11.898 5.426 -0.413 1.00 43.22 H new ATOM 0 HB2 MET A 105 -10.906 4.006 1.123 1.00 61.04 H new ATOM 0 HB3 MET A 105 -9.752 3.371 -0.033 1.00 61.04 H new ATOM 0 HG2 MET A 105 -8.251 5.111 0.281 1.00 10.30 H new ATOM 0 HG3 MET A 105 -9.494 6.251 0.757 1.00 10.30 H new ATOM 0 HE1 MET A 105 -6.929 3.614 3.365 1.00 64.02 H new ATOM 0 HE2 MET A 105 -7.997 2.669 2.301 1.00 64.02 H new ATOM 0 HE3 MET A 105 -6.884 3.869 1.604 1.00 64.02 H new ATOM 1693 N GLU A 106 -10.367 7.177 -1.311 1.00 35.12 N ATOM 1694 CA GLU A 106 -9.610 8.228 -1.980 1.00 75.04 C ATOM 1695 C GLU A 106 -9.152 9.288 -0.983 1.00 52.11 C ATOM 1696 O GLU A 106 -9.947 10.110 -0.525 1.00 72.13 O ATOM 1697 CB GLU A 106 -10.457 8.877 -3.078 1.00 22.51 C ATOM 1698 CG GLU A 106 -9.661 9.258 -4.315 1.00 20.31 C ATOM 1699 CD GLU A 106 -9.935 10.678 -4.770 1.00 71.23 C ATOM 1700 OE1 GLU A 106 -10.860 10.872 -5.586 1.00 73.21 O ATOM 1701 OE2 GLU A 106 -9.224 11.595 -4.310 1.00 2.51 O ATOM 0 H GLU A 106 -11.034 7.514 -0.617 1.00 35.12 H new ATOM 0 HA GLU A 106 -8.728 7.774 -2.431 1.00 75.04 H new ATOM 0 HB2 GLU A 106 -11.253 8.190 -3.366 1.00 22.51 H new ATOM 0 HB3 GLU A 106 -10.937 9.769 -2.676 1.00 22.51 H new ATOM 0 HG2 GLU A 106 -8.597 9.146 -4.107 1.00 20.31 H new ATOM 0 HG3 GLU A 106 -9.902 8.568 -5.124 1.00 20.31 H new ATOM 1708 N CYS A 107 -7.866 9.263 -0.651 1.00 33.51 N ATOM 1709 CA CYS A 107 -7.301 10.220 0.293 1.00 13.13 C ATOM 1710 C CYS A 107 -5.813 10.427 0.032 1.00 10.53 C ATOM 1711 O CYS A 107 -5.232 9.794 -0.848 1.00 34.32 O ATOM 1712 CB CYS A 107 -7.518 9.740 1.729 1.00 3.22 C ATOM 1713 SG CYS A 107 -9.093 10.258 2.451 1.00 63.50 S ATOM 0 H CYS A 107 -7.195 8.590 -1.022 1.00 33.51 H new ATOM 0 HA CYS A 107 -7.811 11.173 0.156 1.00 13.13 H new ATOM 0 HB2 CYS A 107 -7.462 8.652 1.749 1.00 3.22 H new ATOM 0 HB3 CYS A 107 -6.705 10.113 2.352 1.00 3.22 H new ATOM 0 HG CYS A 107 -9.982 10.381 1.510 1.00 63.50 H new ATOM 1719 N GLY A 108 -5.201 11.322 0.803 1.00 30.52 N ATOM 1720 CA GLY A 108 -3.786 11.598 0.639 1.00 50.24 C ATOM 1721 C GLY A 108 -3.523 12.681 -0.389 1.00 63.55 C ATOM 1722 O GLY A 108 -4.455 13.232 -0.973 1.00 14.13 O ATOM 0 H GLY A 108 -5.660 11.860 1.538 1.00 30.52 H new ATOM 0 HA2 GLY A 108 -3.364 11.901 1.597 1.00 50.24 H new ATOM 0 HA3 GLY A 108 -3.273 10.684 0.339 1.00 50.24 H new ATOM 1726 N ALA A 109 -2.249 12.987 -0.611 1.00 65.52 N ATOM 1727 CA ALA A 109 -1.865 14.010 -1.576 1.00 33.21 C ATOM 1728 C ALA A 109 -1.165 13.393 -2.782 1.00 24.25 C ATOM 1729 O ALA A 109 -0.649 12.276 -2.726 1.00 5.42 O ATOM 1730 CB ALA A 109 -0.969 15.048 -0.916 1.00 73.24 C ATOM 0 H ALA A 109 -1.465 12.541 -0.135 1.00 65.52 H new ATOM 0 HA ALA A 109 -2.772 14.501 -1.928 1.00 33.21 H new ATOM 0 HB1 ALA A 109 -0.690 15.806 -1.648 1.00 73.24 H new ATOM 0 HB2 ALA A 109 -1.504 15.519 -0.092 1.00 73.24 H new ATOM 0 HB3 ALA A 109 -0.070 14.563 -0.535 1.00 73.24 H new ATOM 1736 N PRO A 110 -1.145 14.134 -3.899 1.00 53.21 N ATOM 1737 CA PRO A 110 -0.511 13.679 -5.140 1.00 2.31 C ATOM 1738 C PRO A 110 1.009 13.630 -5.029 1.00 62.44 C ATOM 1739 O PRO A 110 1.674 14.665 -5.020 1.00 4.52 O ATOM 1740 CB PRO A 110 -0.938 14.734 -6.164 1.00 73.40 C ATOM 1741 CG PRO A 110 -1.208 15.957 -5.358 1.00 52.10 C ATOM 1742 CD PRO A 110 -1.741 15.474 -4.037 1.00 63.24 C ATOM 0 HA PRO A 110 -0.810 12.664 -5.403 1.00 2.31 H new ATOM 0 HB2 PRO A 110 -0.154 14.911 -6.901 1.00 73.40 H new ATOM 0 HB3 PRO A 110 -1.825 14.417 -6.712 1.00 73.40 H new ATOM 0 HG2 PRO A 110 -0.299 16.543 -5.221 1.00 52.10 H new ATOM 0 HG3 PRO A 110 -1.931 16.602 -5.858 1.00 52.10 H new ATOM 0 HD2 PRO A 110 -1.445 16.132 -3.220 1.00 63.24 H new ATOM 0 HD3 PRO A 110 -2.830 15.432 -4.034 1.00 63.24 H new ATOM 1750 N ARG A 111 1.553 12.420 -4.947 1.00 34.44 N ATOM 1751 CA ARG A 111 2.995 12.236 -4.836 1.00 74.31 C ATOM 1752 C ARG A 111 3.690 12.589 -6.148 1.00 31.43 C ATOM 1753 O ARG A 111 3.090 12.513 -7.220 1.00 13.32 O ATOM 1754 CB ARG A 111 3.318 10.792 -4.448 1.00 33.34 C ATOM 1755 CG ARG A 111 3.405 10.570 -2.947 1.00 33.25 C ATOM 1756 CD ARG A 111 4.658 11.202 -2.362 1.00 21.44 C ATOM 1757 NE ARG A 111 5.853 10.411 -2.645 1.00 51.10 N ATOM 1758 CZ ARG A 111 7.055 10.695 -2.156 1.00 41.24 C ATOM 1759 NH1 ARG A 111 7.221 11.745 -1.364 1.00 0.11 N ATOM 1760 NH2 ARG A 111 8.094 9.928 -2.460 1.00 22.10 N ATOM 0 H ARG A 111 1.017 11.552 -4.955 1.00 34.44 H new ATOM 0 HA ARG A 111 3.363 12.905 -4.058 1.00 74.31 H new ATOM 0 HB2 ARG A 111 2.553 10.134 -4.860 1.00 33.34 H new ATOM 0 HB3 ARG A 111 4.265 10.505 -4.905 1.00 33.34 H new ATOM 0 HG2 ARG A 111 2.524 10.992 -2.464 1.00 33.25 H new ATOM 0 HG3 ARG A 111 3.403 9.501 -2.736 1.00 33.25 H new ATOM 0 HD2 ARG A 111 4.782 12.205 -2.770 1.00 21.44 H new ATOM 0 HD3 ARG A 111 4.541 11.309 -1.284 1.00 21.44 H new ATOM 0 HE ARG A 111 5.759 9.596 -3.251 1.00 51.10 H new ATOM 0 HH11 ARG A 111 6.425 12.337 -1.129 1.00 0.11 H new ATOM 0 HH12 ARG A 111 8.145 11.961 -0.990 1.00 0.11 H new ATOM 0 HH21 ARG A 111 7.970 9.120 -3.070 1.00 22.10 H new ATOM 0 HH22 ARG A 111 9.017 10.147 -2.084 1.00 22.10 H new ATOM 1774 N SER A 112 4.958 12.974 -6.054 1.00 44.31 N ATOM 1775 CA SER A 112 5.734 13.343 -7.232 1.00 42.14 C ATOM 1776 C SER A 112 6.861 12.344 -7.476 1.00 21.24 C ATOM 1777 O SER A 112 7.048 11.864 -8.593 1.00 72.41 O ATOM 1778 CB SER A 112 6.312 14.750 -7.069 1.00 12.42 C ATOM 1779 OG SER A 112 5.284 15.726 -7.063 1.00 60.02 O ATOM 0 H SER A 112 5.470 13.039 -5.174 1.00 44.31 H new ATOM 0 HA SER A 112 5.067 13.329 -8.094 1.00 42.14 H new ATOM 0 HB2 SER A 112 6.879 14.808 -6.140 1.00 12.42 H new ATOM 0 HB3 SER A 112 7.009 14.957 -7.881 1.00 12.42 H new ATOM 0 HG SER A 112 5.679 16.616 -6.956 1.00 60.02 H new ATOM 1785 N GLN A 113 7.609 12.036 -6.421 1.00 14.15 N ATOM 1786 CA GLN A 113 8.718 11.095 -6.519 1.00 74.31 C ATOM 1787 C GLN A 113 9.704 11.526 -7.600 1.00 14.24 C ATOM 1788 O GLN A 113 10.050 10.746 -8.485 1.00 65.21 O ATOM 1789 CB GLN A 113 8.196 9.689 -6.820 1.00 74.25 C ATOM 1790 CG GLN A 113 9.111 8.581 -6.325 1.00 70.22 C ATOM 1791 CD GLN A 113 9.418 7.554 -7.398 1.00 11.32 C ATOM 1792 OE1 GLN A 113 8.614 7.325 -8.302 1.00 43.12 O ATOM 1793 NE2 GLN A 113 10.586 6.930 -7.303 1.00 32.42 N ATOM 0 H GLN A 113 7.467 12.425 -5.489 1.00 14.15 H new ATOM 0 HA GLN A 113 9.238 11.085 -5.561 1.00 74.31 H new ATOM 0 HB2 GLN A 113 7.214 9.569 -6.362 1.00 74.25 H new ATOM 0 HB3 GLN A 113 8.061 9.583 -7.896 1.00 74.25 H new ATOM 0 HG2 GLN A 113 10.044 9.018 -5.968 1.00 70.22 H new ATOM 0 HG3 GLN A 113 8.646 8.084 -5.474 1.00 70.22 H new ATOM 0 HE21 GLN A 113 11.222 7.152 -6.537 1.00 32.42 H new ATOM 0 HE22 GLN A 113 10.848 6.229 -7.996 1.00 32.42 H new ATOM 1802 N GLY A 114 10.152 12.776 -7.520 1.00 73.34 N ATOM 1803 CA GLY A 114 11.093 13.289 -8.498 1.00 2.50 C ATOM 1804 C GLY A 114 12.039 14.317 -7.908 1.00 54.01 C ATOM 1805 O GLY A 114 11.774 14.873 -6.843 1.00 31.15 O ATOM 0 H GLY A 114 9.880 13.441 -6.796 1.00 73.34 H new ATOM 0 HA2 GLY A 114 11.671 12.462 -8.910 1.00 2.50 H new ATOM 0 HA3 GLY A 114 10.544 13.738 -9.326 1.00 2.50 H new ATOM 1809 N GLN A 115 13.144 14.568 -8.601 1.00 44.34 N ATOM 1810 CA GLN A 115 14.133 15.534 -8.138 1.00 3.24 C ATOM 1811 C GLN A 115 14.640 16.392 -9.292 1.00 53.05 C ATOM 1812 O GLN A 115 14.145 16.292 -10.416 1.00 4.54 O ATOM 1813 CB GLN A 115 15.306 14.814 -7.469 1.00 12.50 C ATOM 1814 CG GLN A 115 16.149 13.998 -8.435 1.00 31.22 C ATOM 1815 CD GLN A 115 17.221 13.188 -7.733 1.00 4.42 C ATOM 1816 OE1 GLN A 115 16.930 12.395 -6.838 1.00 22.44 O ATOM 1817 NE2 GLN A 115 18.471 13.385 -8.136 1.00 42.31 N ATOM 0 H GLN A 115 13.377 14.116 -9.485 1.00 44.34 H new ATOM 0 HA GLN A 115 13.652 16.186 -7.409 1.00 3.24 H new ATOM 0 HB2 GLN A 115 15.942 15.551 -6.978 1.00 12.50 H new ATOM 0 HB3 GLN A 115 14.921 14.156 -6.690 1.00 12.50 H new ATOM 0 HG2 GLN A 115 15.501 13.326 -8.998 1.00 31.22 H new ATOM 0 HG3 GLN A 115 16.618 14.667 -9.156 1.00 31.22 H new ATOM 0 HE21 GLN A 115 18.667 14.052 -8.882 1.00 42.31 H new ATOM 0 HE22 GLN A 115 19.235 12.869 -7.700 1.00 42.31 H new ATOM 1826 N ARG A 116 15.628 17.234 -9.009 1.00 14.45 N ATOM 1827 CA ARG A 116 16.200 18.111 -10.023 1.00 73.24 C ATOM 1828 C ARG A 116 17.586 17.628 -10.440 1.00 72.44 C ATOM 1829 O ARG A 116 17.741 16.970 -11.470 1.00 11.24 O ATOM 1830 CB ARG A 116 16.284 19.546 -9.500 1.00 23.33 C ATOM 1831 CG ARG A 116 15.489 20.543 -10.326 1.00 0.43 C ATOM 1832 CD ARG A 116 16.336 21.150 -11.433 1.00 51.05 C ATOM 1833 NE ARG A 116 16.218 22.605 -11.478 1.00 3.01 N ATOM 1834 CZ ARG A 116 15.129 23.242 -11.893 1.00 30.02 C ATOM 1835 NH1 ARG A 116 14.069 22.556 -12.296 1.00 71.54 N ATOM 1836 NH2 ARG A 116 15.098 24.569 -11.904 1.00 64.51 N ATOM 0 H ARG A 116 16.049 17.327 -8.085 1.00 14.45 H new ATOM 0 HA ARG A 116 15.548 18.088 -10.896 1.00 73.24 H new ATOM 0 HB2 ARG A 116 15.924 19.570 -8.471 1.00 23.33 H new ATOM 0 HB3 ARG A 116 17.329 19.856 -9.479 1.00 23.33 H new ATOM 0 HG2 ARG A 116 14.621 20.047 -10.761 1.00 0.43 H new ATOM 0 HG3 ARG A 116 15.112 21.335 -9.679 1.00 0.43 H new ATOM 0 HD2 ARG A 116 17.380 20.876 -11.282 1.00 51.05 H new ATOM 0 HD3 ARG A 116 16.032 20.732 -12.393 1.00 51.05 H new ATOM 0 HE ARG A 116 17.016 23.163 -11.174 1.00 3.01 H new ATOM 0 HH11 ARG A 116 14.088 21.536 -12.288 1.00 71.54 H new ATOM 0 HH12 ARG A 116 13.234 23.048 -12.614 1.00 71.54 H new ATOM 0 HH21 ARG A 116 15.911 25.101 -11.594 1.00 64.51 H new ATOM 0 HH22 ARG A 116 14.261 25.057 -12.223 1.00 64.51 H new TER 1850 ARG A 116