USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 17 HIS : no HD1:sc= 0.0158 X(o=0.14,f=0) USER MOD Set 1.2: A 84 TYR OH : rot 160:sc= 0.123 USER MOD Set 2.1: A 15 TYR OH : rot 165:sc= -0.327 USER MOD Set 2.2: A 28 THR OG1 : rot 92:sc= 1.27 USER MOD Set 3.1: A 6 SER OG : rot 113:sc= 0.244 USER MOD Set 3.2: A 8 SER OG : rot 180:sc= 0.243 USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 11 TYR OH : rot -104:sc= 1.28 USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.04) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= 0.995 (180deg=0.222!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0358 K(o=-0.036,f=-0.77) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -170:sc=-0.00948 (180deg=-0.112) USER MOD Single : A 33 MET CE :methyl 137:sc= -0.334 (180deg=-0.876) USER MOD Single : A 48 GLN : amide:sc= 1.06 K(o=1.1,f=-1) USER MOD Single : A 53 MET CE :methyl -142:sc= -0.145 (180deg=-0.759) USER MOD Single : A 54 GLN : amide:sc= -0.22 K(o=-0.22,f=-0.94) USER MOD Single : A 68 MET CE :methyl -159:sc= -2.57! (180deg=-3.53!) USER MOD Single : A 72 ASN : amide:sc= -0.0194 K(o=-0.019,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= 1.22 (180deg=0.113) USER MOD Single : A 78 CYS SG : rot 78:sc= 0.306 USER MOD Single : A 88 THR OG1 : rot -85:sc= -0.294 USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= -0.0457 (180deg=-0.29) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.357 K(o=0.36,f=-5.2!) USER MOD Single : A 103 MET CE :methyl -129:sc= -0.193 (180deg=-2.68!) USER MOD Single : A 104 LYS NZ :NH3+ 167:sc= -0.0788 (180deg=-0.282) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -1.518 -2.583 14.907 1.00 0.00 N ATOM 54 CA ASN A 5 -2.128 -2.167 13.649 1.00 0.00 C ATOM 55 C ASN A 5 -1.158 -1.372 12.786 1.00 0.00 C ATOM 56 O ASN A 5 -1.580 -0.660 11.874 1.00 0.00 O ATOM 57 CB ASN A 5 -3.382 -1.325 13.903 1.00 0.00 C ATOM 58 CG ASN A 5 -4.507 -2.111 14.547 1.00 0.00 C ATOM 59 OD1 ASN A 5 -4.610 -3.327 14.388 1.00 0.00 O ATOM 60 ND2 ASN A 5 -5.369 -1.416 15.267 1.00 0.00 N ATOM 0 HA ASN A 5 -2.402 -3.077 13.115 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.123 -0.482 14.544 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.732 -0.911 12.957 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.155 -1.886 15.715 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.248 -0.409 15.375 1.00 0.00 H new ATOM 67 N SER A 6 0.134 -1.488 13.064 1.00 0.00 N ATOM 68 CA SER A 6 1.140 -0.831 12.250 1.00 0.00 C ATOM 69 C SER A 6 1.129 -1.418 10.841 1.00 0.00 C ATOM 70 O SER A 6 0.941 -2.625 10.661 1.00 0.00 O ATOM 71 CB SER A 6 2.528 -0.968 12.888 1.00 0.00 C ATOM 72 OG SER A 6 2.882 -2.329 13.088 1.00 0.00 O ATOM 0 H SER A 6 0.506 -2.029 13.844 1.00 0.00 H new ATOM 0 HA SER A 6 0.905 0.232 12.188 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.271 -0.489 12.250 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.543 -0.444 13.844 1.00 0.00 H new ATOM 0 HG SER A 6 3.631 -2.562 12.500 1.00 0.00 H new ATOM 78 N PHE A 7 1.311 -0.560 9.846 1.00 0.00 N ATOM 79 CA PHE A 7 1.279 -0.981 8.454 1.00 0.00 C ATOM 80 C PHE A 7 2.364 -2.022 8.187 1.00 0.00 C ATOM 81 O PHE A 7 2.179 -2.925 7.379 1.00 0.00 O ATOM 82 CB PHE A 7 1.458 0.230 7.535 1.00 0.00 C ATOM 83 CG PHE A 7 1.085 -0.027 6.100 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.232 0.101 5.680 1.00 0.00 C ATOM 85 CD2 PHE A 7 2.048 -0.385 5.171 1.00 0.00 C ATOM 86 CE1 PHE A 7 -0.579 -0.126 4.362 1.00 0.00 C ATOM 87 CE2 PHE A 7 1.706 -0.612 3.852 1.00 0.00 C ATOM 88 CZ PHE A 7 0.391 -0.481 3.447 1.00 0.00 C ATOM 0 H PHE A 7 1.483 0.436 9.980 1.00 0.00 H new ATOM 0 HA PHE A 7 0.310 -1.436 8.247 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.853 1.053 7.915 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.498 0.553 7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.994 0.381 6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 7 3.077 -0.488 5.481 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.608 -0.026 4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.466 -0.892 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.123 -0.656 2.416 1.00 0.00 H new ATOM 98 N SER A 8 3.486 -1.892 8.889 1.00 0.00 N ATOM 99 CA SER A 8 4.579 -2.853 8.800 1.00 0.00 C ATOM 100 C SER A 8 4.092 -4.266 9.119 1.00 0.00 C ATOM 101 O SER A 8 4.382 -5.228 8.397 1.00 0.00 O ATOM 102 CB SER A 8 5.685 -2.443 9.776 1.00 0.00 C ATOM 103 OG SER A 8 5.142 -2.157 11.060 1.00 0.00 O ATOM 0 H SER A 8 3.662 -1.121 9.533 1.00 0.00 H new ATOM 0 HA SER A 8 4.967 -2.856 7.781 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.421 -3.243 9.857 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.208 -1.567 9.393 1.00 0.00 H new ATOM 0 HG SER A 8 5.864 -1.899 11.670 1.00 0.00 H new ATOM 109 N ALA A 9 3.334 -4.378 10.198 1.00 0.00 N ATOM 110 CA ALA A 9 2.805 -5.656 10.633 1.00 0.00 C ATOM 111 C ALA A 9 1.916 -6.257 9.557 1.00 0.00 C ATOM 112 O ALA A 9 2.131 -7.388 9.115 1.00 0.00 O ATOM 113 CB ALA A 9 2.030 -5.487 11.929 1.00 0.00 C ATOM 0 H ALA A 9 3.071 -3.591 10.791 1.00 0.00 H new ATOM 0 HA ALA A 9 3.638 -6.337 10.810 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.637 -6.453 12.247 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.692 -5.093 12.700 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.204 -4.793 11.771 1.00 0.00 H new ATOM 119 N ILE A 10 0.949 -5.472 9.112 1.00 0.00 N ATOM 120 CA ILE A 10 -0.049 -5.947 8.172 1.00 0.00 C ATOM 121 C ILE A 10 0.548 -6.174 6.785 1.00 0.00 C ATOM 122 O ILE A 10 0.132 -7.087 6.077 1.00 0.00 O ATOM 123 CB ILE A 10 -1.231 -4.962 8.082 1.00 0.00 C ATOM 124 CG1 ILE A 10 -1.700 -4.591 9.492 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.375 -5.575 7.282 1.00 0.00 C ATOM 126 CD1 ILE A 10 -2.846 -3.609 9.521 1.00 0.00 C ATOM 0 H ILE A 10 0.835 -4.497 9.390 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.414 -6.904 8.545 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.903 -4.058 7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.000 -5.499 10.014 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.860 -4.169 10.044 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.202 -4.867 7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.030 -5.808 6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.712 -6.489 7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.118 -3.398 10.555 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.545 -2.684 9.029 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.703 -4.035 9.000 1.00 0.00 H new ATOM 138 N TYR A 11 1.535 -5.364 6.406 1.00 0.00 N ATOM 139 CA TYR A 11 2.160 -5.495 5.091 1.00 0.00 C ATOM 140 C TYR A 11 2.840 -6.855 4.951 1.00 0.00 C ATOM 141 O TYR A 11 2.777 -7.478 3.892 1.00 0.00 O ATOM 142 CB TYR A 11 3.148 -4.337 4.824 1.00 0.00 C ATOM 143 CG TYR A 11 4.612 -4.734 4.682 1.00 0.00 C ATOM 144 CD1 TYR A 11 5.440 -4.797 5.792 1.00 0.00 C ATOM 145 CD2 TYR A 11 5.163 -5.030 3.439 1.00 0.00 C ATOM 146 CE1 TYR A 11 6.771 -5.149 5.677 1.00 0.00 C ATOM 147 CE2 TYR A 11 6.497 -5.382 3.314 1.00 0.00 C ATOM 148 CZ TYR A 11 7.296 -5.439 4.439 1.00 0.00 C ATOM 149 OH TYR A 11 8.623 -5.790 4.326 1.00 0.00 O ATOM 0 H TYR A 11 1.917 -4.616 6.985 1.00 0.00 H new ATOM 0 HA TYR A 11 1.378 -5.433 4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.840 -3.825 3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.064 -3.617 5.638 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.036 -4.566 6.767 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.541 -4.985 2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.397 -5.196 6.556 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.910 -5.611 2.342 1.00 0.00 H new ATOM 0 HH TYR A 11 9.131 -5.035 3.963 1.00 0.00 H new ATOM 159 N LYS A 12 3.468 -7.331 6.023 1.00 0.00 N ATOM 160 CA LYS A 12 4.130 -8.626 5.970 1.00 0.00 C ATOM 161 C LYS A 12 3.114 -9.762 6.070 1.00 0.00 C ATOM 162 O LYS A 12 3.232 -10.768 5.369 1.00 0.00 O ATOM 163 CB LYS A 12 5.195 -8.752 7.060 1.00 0.00 C ATOM 164 CG LYS A 12 6.041 -10.007 6.915 1.00 0.00 C ATOM 165 CD LYS A 12 7.378 -9.876 7.622 1.00 0.00 C ATOM 166 CE LYS A 12 8.300 -11.037 7.281 1.00 0.00 C ATOM 167 NZ LYS A 12 7.910 -12.293 7.972 1.00 0.00 N ATOM 0 H LYS A 12 3.531 -6.850 6.920 1.00 0.00 H new ATOM 0 HA LYS A 12 4.632 -8.701 5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.844 -7.877 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.710 -8.757 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.498 -10.860 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.208 -10.211 5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.852 -8.937 7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.220 -9.839 8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.290 -11.201 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.323 -10.778 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.456 -13.088 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.105 -12.204 8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.895 -12.468 7.828 1.00 0.00 H new ATOM 181 N GLU A 13 2.108 -9.595 6.928 1.00 0.00 N ATOM 182 CA GLU A 13 1.051 -10.593 7.066 1.00 0.00 C ATOM 183 C GLU A 13 0.294 -10.752 5.748 1.00 0.00 C ATOM 184 O GLU A 13 -0.009 -11.871 5.324 1.00 0.00 O ATOM 185 CB GLU A 13 0.087 -10.202 8.192 1.00 0.00 C ATOM 186 CG GLU A 13 0.710 -10.264 9.580 1.00 0.00 C ATOM 187 CD GLU A 13 -0.174 -9.649 10.646 1.00 0.00 C ATOM 188 OE1 GLU A 13 -0.325 -8.416 10.645 1.00 0.00 O ATOM 189 OE2 GLU A 13 -0.720 -10.392 11.495 1.00 0.00 O ATOM 0 H GLU A 13 2.004 -8.782 7.535 1.00 0.00 H new ATOM 0 HA GLU A 13 1.509 -11.549 7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.277 -9.191 8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.779 -10.863 8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.912 -11.304 9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.669 -9.747 9.567 1.00 0.00 H new ATOM 196 N TRP A 14 0.003 -9.626 5.106 1.00 0.00 N ATOM 197 CA TRP A 14 -0.642 -9.613 3.799 1.00 0.00 C ATOM 198 C TRP A 14 0.232 -10.308 2.761 1.00 0.00 C ATOM 199 O TRP A 14 -0.232 -11.203 2.046 1.00 0.00 O ATOM 200 CB TRP A 14 -0.931 -8.167 3.375 1.00 0.00 C ATOM 201 CG TRP A 14 -1.316 -8.012 1.934 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.519 -8.315 1.369 1.00 0.00 C ATOM 203 CD2 TRP A 14 -0.493 -7.502 0.875 1.00 0.00 C ATOM 204 NE1 TRP A 14 -2.490 -8.033 0.025 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.262 -7.534 -0.300 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.819 -7.026 0.808 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -0.766 -7.106 -1.528 1.00 0.00 C ATOM 208 CZ3 TRP A 14 1.311 -6.601 -0.413 1.00 0.00 C ATOM 209 CH2 TRP A 14 0.518 -6.645 -1.566 1.00 0.00 C ATOM 0 H TRP A 14 0.207 -8.698 5.477 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.584 -10.157 3.868 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.733 -7.771 3.998 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.047 -7.560 3.570 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.369 -8.717 1.900 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.263 -8.174 -0.626 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.437 -6.991 1.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -1.375 -7.138 -2.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.323 -6.229 -0.478 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.931 -6.307 -2.505 1.00 0.00 H new ATOM 220 N TYR A 15 1.499 -9.906 2.700 1.00 0.00 N ATOM 221 CA TYR A 15 2.440 -10.478 1.750 1.00 0.00 C ATOM 222 C TYR A 15 2.530 -11.991 1.903 1.00 0.00 C ATOM 223 O TYR A 15 2.282 -12.724 0.952 1.00 0.00 O ATOM 224 CB TYR A 15 3.832 -9.856 1.914 1.00 0.00 C ATOM 225 CG TYR A 15 4.925 -10.634 1.211 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.923 -10.784 -0.171 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.949 -11.237 1.934 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.908 -11.512 -0.811 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.939 -11.962 1.300 1.00 0.00 C ATOM 230 CZ TYR A 15 6.913 -12.100 -0.071 1.00 0.00 C ATOM 231 OH TYR A 15 7.893 -12.834 -0.703 1.00 0.00 O ATOM 0 H TYR A 15 1.896 -9.184 3.301 1.00 0.00 H new ATOM 0 HA TYR A 15 2.069 -10.252 0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.815 -8.837 1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.069 -9.789 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.139 -10.324 -0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.970 -11.137 3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.891 -11.620 -1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.730 -12.419 1.876 1.00 0.00 H new ATOM 0 HH TYR A 15 8.641 -12.979 -0.087 1.00 0.00 H new ATOM 241 N GLU A 16 2.862 -12.453 3.103 1.00 0.00 N ATOM 242 CA GLU A 16 3.083 -13.879 3.333 1.00 0.00 C ATOM 243 C GLU A 16 1.788 -14.681 3.208 1.00 0.00 C ATOM 244 O GLU A 16 1.817 -15.906 3.082 1.00 0.00 O ATOM 245 CB GLU A 16 3.733 -14.110 4.696 1.00 0.00 C ATOM 246 CG GLU A 16 5.136 -13.539 4.791 1.00 0.00 C ATOM 247 CD GLU A 16 5.859 -13.980 6.042 1.00 0.00 C ATOM 248 OE1 GLU A 16 5.688 -13.332 7.095 1.00 0.00 O ATOM 249 OE2 GLU A 16 6.617 -14.972 5.975 1.00 0.00 O ATOM 0 H GLU A 16 2.984 -11.866 3.928 1.00 0.00 H new ATOM 0 HA GLU A 16 3.763 -14.235 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.111 -13.660 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.768 -15.180 4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.710 -13.847 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.083 -12.450 4.771 1.00 0.00 H new ATOM 256 N HIS A 17 0.656 -13.992 3.244 1.00 0.00 N ATOM 257 CA HIS A 17 -0.629 -14.635 3.008 1.00 0.00 C ATOM 258 C HIS A 17 -0.836 -14.866 1.512 1.00 0.00 C ATOM 259 O HIS A 17 -0.958 -16.005 1.058 1.00 0.00 O ATOM 260 CB HIS A 17 -1.769 -13.778 3.582 1.00 0.00 C ATOM 261 CG HIS A 17 -3.145 -14.330 3.335 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.845 -15.064 4.268 1.00 0.00 N ATOM 263 CD2 HIS A 17 -3.952 -14.244 2.249 1.00 0.00 C ATOM 264 CE1 HIS A 17 -5.018 -15.407 3.768 1.00 0.00 C ATOM 265 NE2 HIS A 17 -5.106 -14.919 2.546 1.00 0.00 N ATOM 0 H HIS A 17 0.601 -12.991 3.434 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.635 -15.601 3.513 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.621 -13.671 4.657 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.709 -12.779 3.151 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.727 -13.737 1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.776 -15.988 4.273 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.906 -15.027 1.922 1.00 0.00 H new ATOM 274 N LYS A 18 -0.840 -13.783 0.743 1.00 0.00 N ATOM 275 CA LYS A 18 -1.127 -13.861 -0.686 1.00 0.00 C ATOM 276 C LYS A 18 0.102 -14.361 -1.448 1.00 0.00 C ATOM 277 O LYS A 18 0.081 -14.521 -2.670 1.00 0.00 O ATOM 278 CB LYS A 18 -1.588 -12.495 -1.200 1.00 0.00 C ATOM 279 CG LYS A 18 -2.425 -12.568 -2.467 1.00 0.00 C ATOM 280 CD LYS A 18 -3.089 -11.236 -2.770 1.00 0.00 C ATOM 281 CE LYS A 18 -3.985 -11.325 -3.992 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.612 -10.015 -4.313 1.00 0.00 N ATOM 0 H LYS A 18 -0.648 -12.841 1.084 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.933 -14.575 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.168 -12.000 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.713 -11.874 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.793 -12.861 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.187 -13.340 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.677 -10.917 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.325 -10.476 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.402 -11.668 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.763 -12.068 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.959 -10.027 -5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.408 -9.844 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.908 -9.257 -4.204 1.00 0.00 H new ATOM 296 N LYS A 19 1.165 -14.615 -0.695 1.00 0.00 N ATOM 297 CA LYS A 19 2.392 -15.212 -1.214 1.00 0.00 C ATOM 298 C LYS A 19 2.104 -16.598 -1.785 1.00 0.00 C ATOM 299 O LYS A 19 2.821 -17.090 -2.653 1.00 0.00 O ATOM 300 CB LYS A 19 3.409 -15.320 -0.077 1.00 0.00 C ATOM 301 CG LYS A 19 4.829 -15.636 -0.507 1.00 0.00 C ATOM 302 CD LYS A 19 5.712 -15.816 0.715 1.00 0.00 C ATOM 303 CE LYS A 19 7.170 -16.017 0.348 1.00 0.00 C ATOM 304 NZ LYS A 19 7.990 -16.337 1.545 1.00 0.00 N ATOM 0 H LYS A 19 1.201 -14.411 0.304 1.00 0.00 H new ATOM 0 HA LYS A 19 2.792 -14.586 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.414 -14.380 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.075 -16.093 0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.842 -16.543 -1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.217 -14.831 -1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.619 -14.942 1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.363 -16.674 1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.256 -16.824 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.555 -15.115 -0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.982 -16.469 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.926 -15.556 2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.637 -17.211 1.984 1.00 0.00 H new ATOM 318 N GLN A 20 1.037 -17.216 -1.287 1.00 0.00 N ATOM 319 CA GLN A 20 0.632 -18.541 -1.744 1.00 0.00 C ATOM 320 C GLN A 20 -0.035 -18.469 -3.115 1.00 0.00 C ATOM 321 O GLN A 20 -0.274 -19.494 -3.753 1.00 0.00 O ATOM 322 CB GLN A 20 -0.330 -19.176 -0.735 1.00 0.00 C ATOM 323 CG GLN A 20 0.290 -19.423 0.632 1.00 0.00 C ATOM 324 CD GLN A 20 1.391 -20.467 0.597 1.00 0.00 C ATOM 325 OE1 GLN A 20 1.362 -21.391 -0.219 1.00 0.00 O ATOM 326 NE2 GLN A 20 2.366 -20.333 1.485 1.00 0.00 N ATOM 0 H GLN A 20 0.436 -16.819 -0.565 1.00 0.00 H new ATOM 0 HA GLN A 20 1.528 -19.156 -1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.199 -18.528 -0.618 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.690 -20.123 -1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.695 -18.487 1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.487 -19.744 1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.353 -19.554 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.129 -21.009 1.510 1.00 0.00 H new ATOM 335 N VAL A 21 -0.334 -17.256 -3.562 1.00 0.00 N ATOM 336 CA VAL A 21 -1.035 -17.059 -4.823 1.00 0.00 C ATOM 337 C VAL A 21 -0.059 -16.736 -5.952 1.00 0.00 C ATOM 338 O VAL A 21 -0.093 -17.362 -7.013 1.00 0.00 O ATOM 339 CB VAL A 21 -2.086 -15.931 -4.712 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.837 -15.755 -6.025 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.056 -16.215 -3.575 1.00 0.00 C ATOM 0 H VAL A 21 -0.102 -16.394 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.546 -17.994 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.562 -15.000 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.570 -14.956 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.132 -15.499 -6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.347 -16.684 -6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.788 -15.410 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.569 -17.159 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.507 -16.280 -2.636 1.00 0.00 H new ATOM 351 N TRP A 22 0.815 -15.771 -5.716 1.00 0.00 N ATOM 352 CA TRP A 22 1.761 -15.334 -6.738 1.00 0.00 C ATOM 353 C TRP A 22 2.996 -16.225 -6.752 1.00 0.00 C ATOM 354 O TRP A 22 3.324 -16.857 -5.748 1.00 0.00 O ATOM 355 CB TRP A 22 2.196 -13.885 -6.499 1.00 0.00 C ATOM 356 CG TRP A 22 1.061 -12.911 -6.416 1.00 0.00 C ATOM 357 CD1 TRP A 22 -0.049 -12.866 -7.211 1.00 0.00 C ATOM 358 CD2 TRP A 22 0.940 -11.823 -5.494 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.859 -11.823 -6.829 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.270 -11.166 -5.779 1.00 0.00 C ATOM 361 CE3 TRP A 22 1.741 -11.343 -4.451 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.700 -10.056 -5.057 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.312 -10.240 -3.737 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.103 -9.607 -4.044 1.00 0.00 C ATOM 0 H TRP A 22 0.892 -15.274 -4.828 1.00 0.00 H new ATOM 0 HA TRP A 22 1.253 -15.404 -7.700 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.770 -13.837 -5.574 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.864 -13.580 -7.304 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.259 -13.549 -8.021 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.752 -11.578 -7.257 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.676 -11.825 -4.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.634 -9.566 -5.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.920 -9.861 -2.929 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.203 -8.745 -3.469 1.00 0.00 H new ATOM 375 N SER A 23 3.668 -16.279 -7.895 1.00 0.00 N ATOM 376 CA SER A 23 4.935 -16.984 -8.000 1.00 0.00 C ATOM 377 C SER A 23 5.966 -16.316 -7.096 1.00 0.00 C ATOM 378 O SER A 23 6.016 -15.088 -7.019 1.00 0.00 O ATOM 379 CB SER A 23 5.419 -16.977 -9.450 1.00 0.00 C ATOM 380 OG SER A 23 4.434 -17.522 -10.314 1.00 0.00 O ATOM 0 H SER A 23 3.355 -15.842 -8.762 1.00 0.00 H new ATOM 0 HA SER A 23 4.800 -18.018 -7.684 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.652 -15.957 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.341 -17.553 -9.533 1.00 0.00 H new ATOM 0 HG SER A 23 4.764 -17.506 -11.237 1.00 0.00 H new ATOM 386 N VAL A 24 6.778 -17.127 -6.418 1.00 0.00 N ATOM 387 CA VAL A 24 7.750 -16.628 -5.440 1.00 0.00 C ATOM 388 C VAL A 24 8.604 -15.483 -6.003 1.00 0.00 C ATOM 389 O VAL A 24 8.895 -14.519 -5.295 1.00 0.00 O ATOM 390 CB VAL A 24 8.665 -17.765 -4.926 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.494 -18.355 -6.055 1.00 0.00 C ATOM 392 CG2 VAL A 24 9.561 -17.274 -3.799 1.00 0.00 C ATOM 0 H VAL A 24 6.783 -18.141 -6.528 1.00 0.00 H new ATOM 0 HA VAL A 24 7.172 -16.235 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 24 8.025 -18.554 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.127 -19.151 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.831 -18.761 -6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.119 -17.577 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.194 -18.092 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.187 -16.458 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.945 -16.920 -2.972 1.00 0.00 H new ATOM 402 N GLY A 25 8.973 -15.577 -7.279 1.00 0.00 N ATOM 403 CA GLY A 25 9.765 -14.534 -7.901 1.00 0.00 C ATOM 404 C GLY A 25 9.037 -13.204 -7.933 1.00 0.00 C ATOM 405 O GLY A 25 9.524 -12.207 -7.398 1.00 0.00 O ATOM 0 H GLY A 25 8.736 -16.358 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.703 -14.420 -7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.020 -14.831 -8.918 1.00 0.00 H new ATOM 409 N TYR A 26 7.853 -13.199 -8.536 1.00 0.00 N ATOM 410 CA TYR A 26 7.058 -11.985 -8.649 1.00 0.00 C ATOM 411 C TYR A 26 6.613 -11.503 -7.276 1.00 0.00 C ATOM 412 O TYR A 26 6.577 -10.305 -7.019 1.00 0.00 O ATOM 413 CB TYR A 26 5.837 -12.214 -9.545 1.00 0.00 C ATOM 414 CG TYR A 26 4.991 -10.974 -9.749 1.00 0.00 C ATOM 415 CD1 TYR A 26 5.459 -9.910 -10.512 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.732 -10.863 -9.172 1.00 0.00 C ATOM 417 CE1 TYR A 26 4.696 -8.771 -10.695 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.964 -9.727 -9.349 1.00 0.00 C ATOM 419 CZ TYR A 26 3.450 -8.685 -10.113 1.00 0.00 C ATOM 420 OH TYR A 26 2.689 -7.547 -10.287 1.00 0.00 O ATOM 0 H TYR A 26 7.424 -14.024 -8.954 1.00 0.00 H new ATOM 0 HA TYR A 26 7.684 -11.217 -9.104 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.173 -12.578 -10.516 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.218 -12.998 -9.108 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.435 -9.974 -10.970 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.347 -11.677 -8.576 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.075 -7.954 -11.291 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.988 -9.655 -8.892 1.00 0.00 H new ATOM 0 HH TYR A 26 1.837 -7.647 -9.813 1.00 0.00 H new ATOM 430 N ALA A 27 6.282 -12.445 -6.399 1.00 0.00 N ATOM 431 CA ALA A 27 5.844 -12.114 -5.050 1.00 0.00 C ATOM 432 C ALA A 27 6.925 -11.343 -4.303 1.00 0.00 C ATOM 433 O ALA A 27 6.655 -10.306 -3.697 1.00 0.00 O ATOM 434 CB ALA A 27 5.469 -13.375 -4.284 1.00 0.00 C ATOM 0 H ALA A 27 6.309 -13.445 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 27 4.961 -11.479 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.144 -13.107 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.659 -13.888 -4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.335 -14.034 -4.222 1.00 0.00 H new ATOM 440 N THR A 28 8.154 -11.840 -4.368 1.00 0.00 N ATOM 441 CA THR A 28 9.265 -11.206 -3.678 1.00 0.00 C ATOM 442 C THR A 28 9.599 -9.848 -4.299 1.00 0.00 C ATOM 443 O THR A 28 9.843 -8.878 -3.584 1.00 0.00 O ATOM 444 CB THR A 28 10.514 -12.107 -3.681 1.00 0.00 C ATOM 445 OG1 THR A 28 10.162 -13.419 -3.222 1.00 0.00 O ATOM 446 CG2 THR A 28 11.594 -11.534 -2.777 1.00 0.00 C ATOM 0 H THR A 28 8.404 -12.679 -4.891 1.00 0.00 H new ATOM 0 HA THR A 28 8.955 -11.049 -2.645 1.00 0.00 H new ATOM 0 HB THR A 28 10.899 -12.159 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.922 -13.980 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.467 -12.187 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.875 -10.542 -3.130 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.215 -11.462 -1.758 1.00 0.00 H new ATOM 454 N GLU A 29 9.585 -9.771 -5.627 1.00 0.00 N ATOM 455 CA GLU A 29 9.864 -8.512 -6.312 1.00 0.00 C ATOM 456 C GLU A 29 8.751 -7.495 -6.059 1.00 0.00 C ATOM 457 O GLU A 29 9.012 -6.297 -5.915 1.00 0.00 O ATOM 458 CB GLU A 29 10.067 -8.740 -7.811 1.00 0.00 C ATOM 459 CG GLU A 29 11.339 -9.513 -8.129 1.00 0.00 C ATOM 460 CD GLU A 29 11.593 -9.650 -9.615 1.00 0.00 C ATOM 461 OE1 GLU A 29 12.030 -8.660 -10.244 1.00 0.00 O ATOM 462 OE2 GLU A 29 11.376 -10.752 -10.162 1.00 0.00 O ATOM 0 H GLU A 29 9.385 -10.557 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 29 10.790 -8.105 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.210 -9.283 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.098 -7.776 -8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.188 -9.010 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.275 -10.506 -7.684 1.00 0.00 H new ATOM 469 N LEU A 30 7.513 -7.977 -5.989 1.00 0.00 N ATOM 470 CA LEU A 30 6.376 -7.130 -5.645 1.00 0.00 C ATOM 471 C LEU A 30 6.556 -6.578 -4.236 1.00 0.00 C ATOM 472 O LEU A 30 6.332 -5.390 -3.987 1.00 0.00 O ATOM 473 CB LEU A 30 5.064 -7.928 -5.759 1.00 0.00 C ATOM 474 CG LEU A 30 3.774 -7.173 -5.407 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.603 -7.743 -6.190 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.482 -7.255 -3.913 1.00 0.00 C ATOM 0 H LEU A 30 7.272 -8.952 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 30 6.324 -6.294 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.976 -8.297 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.137 -8.801 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 30 3.913 -6.126 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.694 -7.200 -5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.796 -7.642 -7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.478 -8.797 -5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.563 -6.712 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.366 -8.299 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.308 -6.813 -3.356 1.00 0.00 H new ATOM 488 N ALA A 31 6.973 -7.451 -3.325 1.00 0.00 N ATOM 489 CA ALA A 31 7.232 -7.061 -1.950 1.00 0.00 C ATOM 490 C ALA A 31 8.395 -6.083 -1.881 1.00 0.00 C ATOM 491 O ALA A 31 8.358 -5.129 -1.116 1.00 0.00 O ATOM 492 CB ALA A 31 7.519 -8.282 -1.093 1.00 0.00 C ATOM 0 H ALA A 31 7.139 -8.439 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 31 6.341 -6.567 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.711 -7.969 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.659 -8.951 -1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.394 -8.803 -1.483 1.00 0.00 H new ATOM 498 N LYS A 32 9.419 -6.320 -2.696 1.00 0.00 N ATOM 499 CA LYS A 32 10.585 -5.447 -2.732 1.00 0.00 C ATOM 500 C LYS A 32 10.190 -4.026 -3.119 1.00 0.00 C ATOM 501 O LYS A 32 10.558 -3.073 -2.441 1.00 0.00 O ATOM 502 CB LYS A 32 11.638 -5.983 -3.707 1.00 0.00 C ATOM 503 CG LYS A 32 12.906 -5.146 -3.744 1.00 0.00 C ATOM 504 CD LYS A 32 13.940 -5.738 -4.685 1.00 0.00 C ATOM 505 CE LYS A 32 15.224 -4.923 -4.685 1.00 0.00 C ATOM 506 NZ LYS A 32 15.019 -3.545 -5.208 1.00 0.00 N ATOM 0 H LYS A 32 9.464 -7.110 -3.340 1.00 0.00 H new ATOM 0 HA LYS A 32 11.015 -5.427 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.894 -7.005 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.209 -6.024 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.664 -4.132 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.325 -5.075 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.159 -6.764 -4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.533 -5.778 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.617 -4.869 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.974 -5.431 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.942 -3.086 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.513 -3.590 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.459 -2.995 -4.526 1.00 0.00 H new ATOM 520 N MET A 33 9.432 -3.886 -4.203 1.00 0.00 N ATOM 521 CA MET A 33 8.971 -2.570 -4.641 1.00 0.00 C ATOM 522 C MET A 33 8.094 -1.933 -3.567 1.00 0.00 C ATOM 523 O MET A 33 8.200 -0.738 -3.277 1.00 0.00 O ATOM 524 CB MET A 33 8.197 -2.683 -5.961 1.00 0.00 C ATOM 525 CG MET A 33 7.707 -1.345 -6.501 1.00 0.00 C ATOM 526 SD MET A 33 6.914 -1.480 -8.120 1.00 0.00 S ATOM 527 CE MET A 33 5.501 -2.518 -7.751 1.00 0.00 C ATOM 0 H MET A 33 9.125 -4.661 -4.791 1.00 0.00 H new ATOM 0 HA MET A 33 9.842 -1.935 -4.804 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.837 -3.154 -6.708 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.341 -3.341 -5.814 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.001 -0.911 -5.793 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.550 -0.658 -6.572 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.619 -2.125 -8.256 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.695 -3.533 -8.097 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.328 -2.528 -6.675 1.00 0.00 H new ATOM 537 N PHE A 34 7.242 -2.754 -2.965 1.00 0.00 N ATOM 538 CA PHE A 34 6.334 -2.299 -1.922 1.00 0.00 C ATOM 539 C PHE A 34 7.121 -1.829 -0.699 1.00 0.00 C ATOM 540 O PHE A 34 6.896 -0.742 -0.187 1.00 0.00 O ATOM 541 CB PHE A 34 5.384 -3.441 -1.538 1.00 0.00 C ATOM 542 CG PHE A 34 4.210 -3.014 -0.702 1.00 0.00 C ATOM 543 CD1 PHE A 34 4.310 -2.939 0.678 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.002 -2.693 -1.299 1.00 0.00 C ATOM 545 CE1 PHE A 34 3.230 -2.550 1.444 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.917 -2.304 -0.537 1.00 0.00 C ATOM 547 CZ PHE A 34 2.032 -2.233 0.835 1.00 0.00 C ATOM 0 H PHE A 34 7.162 -3.747 -3.185 1.00 0.00 H new ATOM 0 HA PHE A 34 5.751 -1.458 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.014 -3.912 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.947 -4.199 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.244 -3.188 1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.907 -2.747 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.322 -2.494 2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.981 -2.056 -1.015 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.186 -1.930 1.433 1.00 0.00 H new ATOM 557 N ASP A 35 8.056 -2.647 -0.252 1.00 0.00 N ATOM 558 CA ASP A 35 8.832 -2.345 0.944 1.00 0.00 C ATOM 559 C ASP A 35 9.823 -1.210 0.699 1.00 0.00 C ATOM 560 O ASP A 35 9.874 -0.250 1.458 1.00 0.00 O ATOM 561 CB ASP A 35 9.572 -3.598 1.420 1.00 0.00 C ATOM 562 CG ASP A 35 10.461 -3.342 2.617 1.00 0.00 C ATOM 563 OD1 ASP A 35 11.628 -2.939 2.427 1.00 0.00 O ATOM 564 OD2 ASP A 35 10.000 -3.560 3.757 1.00 0.00 O ATOM 0 H ASP A 35 8.300 -3.531 -0.699 1.00 0.00 H new ATOM 0 HA ASP A 35 8.138 -2.019 1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.844 -4.369 1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.177 -3.988 0.602 1.00 0.00 H new ATOM 569 N ASP A 36 10.588 -1.302 -0.373 1.00 0.00 N ATOM 570 CA ASP A 36 11.673 -0.355 -0.610 1.00 0.00 C ATOM 571 C ASP A 36 11.159 1.078 -0.758 1.00 0.00 C ATOM 572 O ASP A 36 11.804 2.020 -0.295 1.00 0.00 O ATOM 573 CB ASP A 36 12.480 -0.760 -1.843 1.00 0.00 C ATOM 574 CG ASP A 36 13.722 0.088 -2.025 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.663 -0.041 -1.211 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.775 0.865 -2.999 1.00 0.00 O ATOM 0 H ASP A 36 10.483 -2.017 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 36 12.323 -0.382 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.768 -1.808 -1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.852 -0.674 -2.729 1.00 0.00 H new ATOM 581 N ASP A 37 9.999 1.249 -1.384 1.00 0.00 N ATOM 582 CA ASP A 37 9.454 2.591 -1.591 1.00 0.00 C ATOM 583 C ASP A 37 8.360 2.941 -0.585 1.00 0.00 C ATOM 584 O ASP A 37 8.391 4.007 0.025 1.00 0.00 O ATOM 585 CB ASP A 37 8.914 2.749 -3.015 1.00 0.00 C ATOM 586 CG ASP A 37 10.017 2.914 -4.041 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.530 1.893 -4.539 1.00 0.00 O ATOM 588 OD2 ASP A 37 10.381 4.070 -4.359 1.00 0.00 O ATOM 0 H ASP A 37 9.425 0.491 -1.752 1.00 0.00 H new ATOM 0 HA ASP A 37 10.281 3.285 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.313 1.877 -3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.253 3.615 -3.055 1.00 0.00 H new ATOM 593 N ILE A 38 7.405 2.040 -0.394 1.00 0.00 N ATOM 594 CA ILE A 38 6.205 2.343 0.386 1.00 0.00 C ATOM 595 C ILE A 38 6.459 2.249 1.893 1.00 0.00 C ATOM 596 O ILE A 38 5.901 3.026 2.675 1.00 0.00 O ATOM 597 CB ILE A 38 5.046 1.397 -0.002 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.882 1.374 -1.529 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.749 1.814 0.680 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.706 0.558 -2.015 1.00 0.00 C ATOM 0 H ILE A 38 7.435 1.091 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 38 5.929 3.371 0.152 1.00 0.00 H new ATOM 0 HB ILE A 38 5.287 0.390 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.772 2.398 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.794 0.977 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.950 1.132 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.880 1.781 1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.488 2.828 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.663 0.595 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.822 -0.476 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.784 0.966 -1.601 1.00 0.00 H new ATOM 612 N LEU A 39 7.316 1.320 2.296 1.00 0.00 N ATOM 613 CA LEU A 39 7.566 1.072 3.716 1.00 0.00 C ATOM 614 C LEU A 39 8.182 2.306 4.409 1.00 0.00 C ATOM 615 O LEU A 39 7.706 2.708 5.467 1.00 0.00 O ATOM 616 CB LEU A 39 8.457 -0.169 3.888 1.00 0.00 C ATOM 617 CG LEU A 39 8.227 -1.014 5.146 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.786 -0.326 6.376 1.00 0.00 C ATOM 619 CD2 LEU A 39 6.748 -1.315 5.325 1.00 0.00 C ATOM 0 H LEU A 39 7.851 0.725 1.663 1.00 0.00 H new ATOM 0 HA LEU A 39 6.609 0.880 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.318 -0.810 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.497 0.156 3.882 1.00 0.00 H new ATOM 0 HG LEU A 39 8.758 -1.957 5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.609 -0.948 7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.858 -0.172 6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.294 0.638 6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.605 -1.916 6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.196 -0.380 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.381 -1.865 4.458 1.00 0.00 H new ATOM 631 N PRO A 40 9.230 2.947 3.838 1.00 0.00 N ATOM 632 CA PRO A 40 9.820 4.157 4.437 1.00 0.00 C ATOM 633 C PRO A 40 8.853 5.342 4.468 1.00 0.00 C ATOM 634 O PRO A 40 9.117 6.350 5.125 1.00 0.00 O ATOM 635 CB PRO A 40 11.019 4.472 3.533 1.00 0.00 C ATOM 636 CG PRO A 40 11.290 3.210 2.794 1.00 0.00 C ATOM 637 CD PRO A 40 9.956 2.549 2.619 1.00 0.00 C ATOM 0 HA PRO A 40 10.088 3.987 5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.792 5.289 2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.885 4.779 4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.756 3.413 1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.975 2.570 3.350 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.450 2.893 1.717 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.049 1.466 2.539 1.00 0.00 H new ATOM 645 N ILE A 41 7.731 5.218 3.764 1.00 0.00 N ATOM 646 CA ILE A 41 6.745 6.292 3.709 1.00 0.00 C ATOM 647 C ILE A 41 5.693 6.126 4.804 1.00 0.00 C ATOM 648 O ILE A 41 5.507 7.018 5.634 1.00 0.00 O ATOM 649 CB ILE A 41 6.043 6.361 2.330 1.00 0.00 C ATOM 650 CG1 ILE A 41 7.067 6.584 1.210 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.993 7.468 2.310 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.818 7.898 1.312 1.00 0.00 C ATOM 0 H ILE A 41 7.483 4.388 3.226 1.00 0.00 H new ATOM 0 HA ILE A 41 7.288 7.224 3.867 1.00 0.00 H new ATOM 0 HB ILE A 41 5.544 5.407 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.786 5.765 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.554 6.545 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.514 7.497 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.243 7.272 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.472 8.427 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.522 7.980 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.110 8.726 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.362 7.934 2.256 1.00 0.00 H new ATOM 664 N ILE A 42 5.012 4.982 4.817 1.00 0.00 N ATOM 665 CA ILE A 42 3.917 4.767 5.762 1.00 0.00 C ATOM 666 C ILE A 42 4.057 3.453 6.524 1.00 0.00 C ATOM 667 O ILE A 42 3.169 3.085 7.291 1.00 0.00 O ATOM 668 CB ILE A 42 2.550 4.743 5.056 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.500 3.593 4.050 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.274 6.069 4.369 1.00 0.00 C ATOM 671 CD1 ILE A 42 1.097 3.139 3.743 1.00 0.00 C ATOM 0 H ILE A 42 5.196 4.197 4.192 1.00 0.00 H new ATOM 0 HA ILE A 42 3.972 5.605 6.457 1.00 0.00 H new ATOM 0 HB ILE A 42 1.775 4.586 5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.985 3.905 3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.071 2.751 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.302 6.028 3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.273 6.869 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.049 6.263 3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.129 2.321 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.616 2.797 4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.529 3.970 3.324 1.00 0.00 H new ATOM 683 N GLY A 43 5.164 2.757 6.321 1.00 0.00 N ATOM 684 CA GLY A 43 5.336 1.446 6.918 1.00 0.00 C ATOM 685 C GLY A 43 5.286 1.479 8.429 1.00 0.00 C ATOM 686 O GLY A 43 4.732 0.581 9.060 1.00 0.00 O ATOM 0 H GLY A 43 5.949 3.075 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.558 0.778 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.292 1.029 6.600 1.00 0.00 H new ATOM 690 N GLY A 44 5.850 2.522 9.010 1.00 0.00 N ATOM 691 CA GLY A 44 5.860 2.644 10.449 1.00 0.00 C ATOM 692 C GLY A 44 4.607 3.299 10.992 1.00 0.00 C ATOM 693 O GLY A 44 4.507 3.550 12.193 1.00 0.00 O ATOM 0 H GLY A 44 6.302 3.288 8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.968 1.654 10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.730 3.226 10.754 1.00 0.00 H new ATOM 697 N LEU A 45 3.641 3.574 10.122 1.00 0.00 N ATOM 698 CA LEU A 45 2.420 4.243 10.542 1.00 0.00 C ATOM 699 C LEU A 45 1.319 3.227 10.817 1.00 0.00 C ATOM 700 O LEU A 45 1.261 2.175 10.181 1.00 0.00 O ATOM 701 CB LEU A 45 1.972 5.240 9.471 1.00 0.00 C ATOM 702 CG LEU A 45 2.960 6.375 9.185 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.503 7.197 7.993 1.00 0.00 C ATOM 704 CD2 LEU A 45 3.119 7.262 10.408 1.00 0.00 C ATOM 0 H LEU A 45 3.681 3.345 9.129 1.00 0.00 H new ATOM 0 HA LEU A 45 2.621 4.786 11.465 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.789 4.696 8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.021 5.676 9.778 1.00 0.00 H new ATOM 0 HG LEU A 45 3.928 5.933 8.947 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.219 7.998 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.438 6.557 7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.524 7.627 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.824 8.063 10.187 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.153 7.692 10.674 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.494 6.668 11.242 1.00 0.00 H new ATOM 716 N GLU A 46 0.467 3.532 11.787 1.00 0.00 N ATOM 717 CA GLU A 46 -0.685 2.693 12.084 1.00 0.00 C ATOM 718 C GLU A 46 -1.662 2.758 10.926 1.00 0.00 C ATOM 719 O GLU A 46 -1.906 3.831 10.383 1.00 0.00 O ATOM 720 CB GLU A 46 -1.386 3.153 13.361 1.00 0.00 C ATOM 721 CG GLU A 46 -0.481 3.230 14.577 1.00 0.00 C ATOM 722 CD GLU A 46 -1.238 3.641 15.821 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.623 4.826 15.924 1.00 0.00 O ATOM 724 OE2 GLU A 46 -1.474 2.774 16.689 1.00 0.00 O ATOM 0 H GLU A 46 0.553 4.356 12.382 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.338 1.670 12.230 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.825 4.135 13.187 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.208 2.470 13.577 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.012 2.260 14.742 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.321 3.944 14.388 1.00 0.00 H new ATOM 731 N ILE A 47 -2.236 1.625 10.561 1.00 0.00 N ATOM 732 CA ILE A 47 -3.130 1.557 9.413 1.00 0.00 C ATOM 733 C ILE A 47 -4.395 2.397 9.639 1.00 0.00 C ATOM 734 O ILE A 47 -5.083 2.772 8.692 1.00 0.00 O ATOM 735 CB ILE A 47 -3.503 0.093 9.078 1.00 0.00 C ATOM 736 CG1 ILE A 47 -4.051 0.000 7.655 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.514 -0.453 10.080 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.161 -1.417 7.136 1.00 0.00 C ATOM 0 H ILE A 47 -2.100 0.736 11.043 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.595 1.975 8.560 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.601 -0.516 9.145 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.036 0.466 7.623 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.406 0.572 6.989 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.760 -1.483 9.823 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.087 -0.421 11.082 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.419 0.154 10.052 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.557 -1.403 6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.175 -1.881 7.134 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.830 -1.989 7.779 1.00 0.00 H new ATOM 750 N GLN A 48 -4.679 2.706 10.902 1.00 0.00 N ATOM 751 CA GLN A 48 -5.817 3.556 11.247 1.00 0.00 C ATOM 752 C GLN A 48 -5.398 5.023 11.263 1.00 0.00 C ATOM 753 O GLN A 48 -6.236 5.920 11.324 1.00 0.00 O ATOM 754 CB GLN A 48 -6.362 3.200 12.634 1.00 0.00 C ATOM 755 CG GLN A 48 -6.586 1.717 12.875 1.00 0.00 C ATOM 756 CD GLN A 48 -7.133 1.449 14.265 1.00 0.00 C ATOM 757 OE1 GLN A 48 -6.890 2.214 15.199 1.00 0.00 O ATOM 758 NE2 GLN A 48 -7.857 0.354 14.422 1.00 0.00 N ATOM 0 H GLN A 48 -4.138 2.381 11.703 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.589 3.393 10.495 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.669 3.574 13.387 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.307 3.723 12.782 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.280 1.328 12.130 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.646 1.181 12.745 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.038 -0.256 13.625 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.235 0.120 15.340 1.00 0.00 H new ATOM 767 N ASP A 49 -4.094 5.257 11.199 1.00 0.00 N ATOM 768 CA ASP A 49 -3.545 6.580 11.459 1.00 0.00 C ATOM 769 C ASP A 49 -2.742 7.082 10.262 1.00 0.00 C ATOM 770 O ASP A 49 -1.986 8.045 10.362 1.00 0.00 O ATOM 771 CB ASP A 49 -2.654 6.512 12.703 1.00 0.00 C ATOM 772 CG ASP A 49 -2.627 7.807 13.484 1.00 0.00 C ATOM 773 OD1 ASP A 49 -3.709 8.254 13.926 1.00 0.00 O ATOM 774 OD2 ASP A 49 -1.529 8.347 13.713 1.00 0.00 O ATOM 0 H ASP A 49 -3.398 4.548 10.969 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.364 7.279 11.628 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.007 5.710 13.352 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.638 6.255 12.402 1.00 0.00 H new ATOM 779 N ILE A 50 -2.920 6.426 9.123 1.00 0.00 N ATOM 780 CA ILE A 50 -2.199 6.795 7.915 1.00 0.00 C ATOM 781 C ILE A 50 -2.886 7.951 7.204 1.00 0.00 C ATOM 782 O ILE A 50 -4.075 7.889 6.892 1.00 0.00 O ATOM 783 CB ILE A 50 -2.060 5.601 6.948 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.144 4.546 7.562 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.522 6.051 5.592 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.049 3.284 6.748 1.00 0.00 C ATOM 0 H ILE A 50 -3.557 5.637 9.012 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.201 7.107 8.222 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.048 5.169 6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.146 4.968 7.681 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.506 4.299 8.560 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.434 5.189 4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.205 6.777 5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.541 6.509 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.381 2.580 7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.039 2.838 6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.658 3.518 5.758 1.00 0.00 H new ATOM 798 N GLU A 51 -2.120 9.001 6.959 1.00 0.00 N ATOM 799 CA GLU A 51 -2.617 10.165 6.238 1.00 0.00 C ATOM 800 C GLU A 51 -2.931 9.789 4.798 1.00 0.00 C ATOM 801 O GLU A 51 -2.131 9.127 4.139 1.00 0.00 O ATOM 802 CB GLU A 51 -1.578 11.284 6.244 1.00 0.00 C ATOM 803 CG GLU A 51 -1.171 11.752 7.628 1.00 0.00 C ATOM 804 CD GLU A 51 -2.318 12.415 8.356 1.00 0.00 C ATOM 805 OE1 GLU A 51 -2.486 13.645 8.213 1.00 0.00 O ATOM 806 OE2 GLU A 51 -3.076 11.711 9.048 1.00 0.00 O ATOM 0 H GLU A 51 -1.145 9.073 7.250 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.522 10.513 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.690 10.941 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.974 12.134 5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.815 10.901 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.340 12.452 7.545 1.00 0.00 H new ATOM 813 N PRO A 52 -4.102 10.184 4.293 1.00 0.00 N ATOM 814 CA PRO A 52 -4.433 10.035 2.875 1.00 0.00 C ATOM 815 C PRO A 52 -3.383 10.688 1.980 1.00 0.00 C ATOM 816 O PRO A 52 -3.013 10.142 0.947 1.00 0.00 O ATOM 817 CB PRO A 52 -5.782 10.740 2.747 1.00 0.00 C ATOM 818 CG PRO A 52 -6.372 10.660 4.111 1.00 0.00 C ATOM 819 CD PRO A 52 -5.216 10.764 5.062 1.00 0.00 C ATOM 0 HA PRO A 52 -4.465 8.992 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.661 11.775 2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.418 10.250 2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.088 11.466 4.276 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.910 9.722 4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.017 11.798 5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.401 10.212 5.984 1.00 0.00 H new ATOM 827 N MET A 53 -2.881 11.851 2.395 1.00 0.00 N ATOM 828 CA MET A 53 -1.814 12.525 1.660 1.00 0.00 C ATOM 829 C MET A 53 -0.479 11.810 1.856 1.00 0.00 C ATOM 830 O MET A 53 0.424 11.935 1.036 1.00 0.00 O ATOM 831 CB MET A 53 -1.694 13.991 2.080 1.00 0.00 C ATOM 832 CG MET A 53 -2.876 14.845 1.653 1.00 0.00 C ATOM 833 SD MET A 53 -2.699 16.575 2.130 1.00 0.00 S ATOM 834 CE MET A 53 -2.553 16.421 3.909 1.00 0.00 C ATOM 0 H MET A 53 -3.195 12.343 3.232 1.00 0.00 H new ATOM 0 HA MET A 53 -2.073 12.492 0.602 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.592 14.042 3.164 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.782 14.409 1.654 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.992 14.782 0.571 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.787 14.443 2.095 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.083 17.243 4.390 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.986 15.473 4.229 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.501 16.453 4.192 1.00 0.00 H new ATOM 844 N GLN A 54 -0.366 11.051 2.937 1.00 0.00 N ATOM 845 CA GLN A 54 0.836 10.265 3.191 1.00 0.00 C ATOM 846 C GLN A 54 0.823 9.041 2.287 1.00 0.00 C ATOM 847 O GLN A 54 1.842 8.649 1.714 1.00 0.00 O ATOM 848 CB GLN A 54 0.893 9.834 4.658 1.00 0.00 C ATOM 849 CG GLN A 54 2.294 9.551 5.162 1.00 0.00 C ATOM 850 CD GLN A 54 3.166 10.789 5.164 1.00 0.00 C ATOM 851 OE1 GLN A 54 2.678 11.909 5.304 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.459 10.597 5.014 1.00 0.00 N ATOM 0 H GLN A 54 -1.089 10.962 3.651 1.00 0.00 H new ATOM 0 HA GLN A 54 1.717 10.871 2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.447 10.615 5.273 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.283 8.940 4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.239 9.147 6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.755 8.786 4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.824 9.651 4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.096 11.394 5.011 1.00 0.00 H new ATOM 861 N LEU A 55 -0.354 8.447 2.155 1.00 0.00 N ATOM 862 CA LEU A 55 -0.555 7.366 1.207 1.00 0.00 C ATOM 863 C LEU A 55 -0.395 7.910 -0.205 1.00 0.00 C ATOM 864 O LEU A 55 0.092 7.223 -1.101 1.00 0.00 O ATOM 865 CB LEU A 55 -1.942 6.744 1.393 1.00 0.00 C ATOM 866 CG LEU A 55 -2.199 5.471 0.583 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.218 4.379 0.984 1.00 0.00 C ATOM 868 CD2 LEU A 55 -3.631 4.998 0.776 1.00 0.00 C ATOM 0 H LEU A 55 -1.183 8.697 2.694 1.00 0.00 H new ATOM 0 HA LEU A 55 0.187 6.586 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.082 6.518 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.694 7.485 1.123 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.051 5.697 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.414 3.481 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.199 4.718 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.337 4.155 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.797 4.092 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.806 4.788 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.319 5.775 0.442 1.00 0.00 H new ATOM 880 N LEU A 56 -0.798 9.163 -0.389 1.00 0.00 N ATOM 881 CA LEU A 56 -0.585 9.856 -1.647 1.00 0.00 C ATOM 882 C LEU A 56 0.907 10.033 -1.881 1.00 0.00 C ATOM 883 O LEU A 56 1.358 9.962 -3.007 1.00 0.00 O ATOM 884 CB LEU A 56 -1.310 11.218 -1.655 1.00 0.00 C ATOM 885 CG LEU A 56 -1.423 11.931 -3.018 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.127 12.627 -3.399 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.838 10.949 -4.104 1.00 0.00 C ATOM 0 H LEU A 56 -1.275 9.718 0.322 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.003 9.258 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.316 11.071 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.793 11.884 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.193 12.697 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.248 13.117 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.122 13.372 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.676 11.892 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.912 11.471 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.094 10.156 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.806 10.515 -3.852 1.00 0.00 H new ATOM 899 N GLU A 57 1.668 10.243 -0.811 1.00 0.00 N ATOM 900 CA GLU A 57 3.115 10.382 -0.924 1.00 0.00 C ATOM 901 C GLU A 57 3.729 9.096 -1.474 1.00 0.00 C ATOM 902 O GLU A 57 4.729 9.136 -2.181 1.00 0.00 O ATOM 903 CB GLU A 57 3.737 10.753 0.425 1.00 0.00 C ATOM 904 CG GLU A 57 5.230 11.035 0.347 1.00 0.00 C ATOM 905 CD GLU A 57 5.757 11.751 1.572 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.706 13.002 1.598 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.231 11.079 2.504 1.00 0.00 O ATOM 0 H GLU A 57 1.308 10.320 0.140 1.00 0.00 H new ATOM 0 HA GLU A 57 3.330 11.192 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.229 11.633 0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.565 9.941 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.767 10.094 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.435 11.638 -0.537 1.00 0.00 H new ATOM 914 N VAL A 58 3.117 7.960 -1.154 1.00 0.00 N ATOM 915 CA VAL A 58 3.493 6.690 -1.775 1.00 0.00 C ATOM 916 C VAL A 58 3.287 6.753 -3.292 1.00 0.00 C ATOM 917 O VAL A 58 4.211 6.520 -4.075 1.00 0.00 O ATOM 918 CB VAL A 58 2.672 5.513 -1.202 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.962 4.228 -1.961 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.959 5.331 0.280 1.00 0.00 C ATOM 0 H VAL A 58 2.362 7.890 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 58 4.547 6.521 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 58 1.615 5.749 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.372 3.415 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.700 4.359 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.022 3.988 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.371 4.498 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.020 5.124 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.692 6.241 0.817 1.00 0.00 H new ATOM 930 N ILE A 59 2.069 7.090 -3.693 1.00 0.00 N ATOM 931 CA ILE A 59 1.725 7.227 -5.107 1.00 0.00 C ATOM 932 C ILE A 59 2.606 8.293 -5.771 1.00 0.00 C ATOM 933 O ILE A 59 3.118 8.102 -6.872 1.00 0.00 O ATOM 934 CB ILE A 59 0.223 7.587 -5.278 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.666 6.342 -5.150 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.040 8.272 -6.611 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.685 5.723 -3.768 1.00 0.00 C ATOM 0 H ILE A 59 1.295 7.275 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 59 1.905 6.269 -5.595 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.029 8.282 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.685 6.609 -5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.326 5.593 -5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.101 8.509 -6.695 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.543 9.191 -6.669 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.249 7.607 -7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.338 4.850 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.325 5.421 -3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.056 6.452 -3.048 1.00 0.00 H new ATOM 949 N ARG A 60 2.798 9.390 -5.057 1.00 0.00 N ATOM 950 CA ARG A 60 3.587 10.518 -5.527 1.00 0.00 C ATOM 951 C ARG A 60 5.068 10.138 -5.619 1.00 0.00 C ATOM 952 O ARG A 60 5.804 10.662 -6.452 1.00 0.00 O ATOM 953 CB ARG A 60 3.360 11.702 -4.579 1.00 0.00 C ATOM 954 CG ARG A 60 4.041 12.991 -4.995 1.00 0.00 C ATOM 955 CD ARG A 60 3.417 14.196 -4.299 1.00 0.00 C ATOM 956 NE ARG A 60 3.306 14.029 -2.842 1.00 0.00 N ATOM 957 CZ ARG A 60 4.330 14.102 -1.985 1.00 0.00 C ATOM 958 NH1 ARG A 60 5.575 14.224 -2.424 1.00 0.00 N ATOM 959 NH2 ARG A 60 4.106 14.032 -0.677 1.00 0.00 N ATOM 0 H ARG A 60 2.406 9.524 -4.125 1.00 0.00 H new ATOM 0 HA ARG A 60 3.272 10.804 -6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.288 11.884 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.712 11.426 -3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.103 12.938 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.965 13.113 -6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.016 15.081 -4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.425 14.374 -4.715 1.00 0.00 H new ATOM 0 HE ARG A 60 2.380 13.844 -2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.761 14.263 -3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.347 14.279 -1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.154 13.923 -0.328 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.886 14.088 -0.022 1.00 0.00 H new ATOM 973 N ARG A 61 5.486 9.210 -4.763 1.00 0.00 N ATOM 974 CA ARG A 61 6.818 8.615 -4.846 1.00 0.00 C ATOM 975 C ARG A 61 7.009 7.962 -6.210 1.00 0.00 C ATOM 976 O ARG A 61 8.074 8.059 -6.821 1.00 0.00 O ATOM 977 CB ARG A 61 6.991 7.577 -3.725 1.00 0.00 C ATOM 978 CG ARG A 61 8.231 6.702 -3.845 1.00 0.00 C ATOM 979 CD ARG A 61 9.509 7.508 -3.703 1.00 0.00 C ATOM 980 NE ARG A 61 10.691 6.649 -3.662 1.00 0.00 N ATOM 981 CZ ARG A 61 11.927 7.102 -3.475 1.00 0.00 C ATOM 982 NH1 ARG A 61 12.145 8.408 -3.374 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.946 6.254 -3.399 1.00 0.00 N ATOM 0 H ARG A 61 4.916 8.851 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 61 7.571 9.393 -4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.024 8.099 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.111 6.934 -3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.204 5.927 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.226 6.196 -4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.594 8.204 -4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.462 8.106 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 61 10.560 5.645 -3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.365 9.062 -3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.093 8.757 -3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.782 5.251 -3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.893 6.606 -3.255 1.00 0.00 H new ATOM 997 N PHE A 62 5.963 7.306 -6.691 1.00 0.00 N ATOM 998 CA PHE A 62 6.001 6.700 -8.012 1.00 0.00 C ATOM 999 C PHE A 62 5.812 7.750 -9.108 1.00 0.00 C ATOM 1000 O PHE A 62 6.251 7.549 -10.242 1.00 0.00 O ATOM 1001 CB PHE A 62 4.953 5.593 -8.138 1.00 0.00 C ATOM 1002 CG PHE A 62 5.253 4.389 -7.289 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.141 3.419 -7.726 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.653 4.232 -6.051 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.424 2.315 -6.945 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.932 3.131 -5.265 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.818 2.172 -5.712 1.00 0.00 C ATOM 0 H PHE A 62 5.084 7.181 -6.190 1.00 0.00 H new ATOM 0 HA PHE A 62 6.986 6.252 -8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.978 5.992 -7.858 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.884 5.285 -9.181 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.618 3.527 -8.689 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.959 4.979 -5.696 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.117 1.566 -7.298 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.457 3.021 -4.301 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.037 1.311 -5.098 1.00 0.00 H new ATOM 1017 N GLU A 63 5.171 8.871 -8.774 1.00 0.00 N ATOM 1018 CA GLU A 63 5.028 9.978 -9.721 1.00 0.00 C ATOM 1019 C GLU A 63 6.388 10.579 -10.056 1.00 0.00 C ATOM 1020 O GLU A 63 6.663 10.904 -11.213 1.00 0.00 O ATOM 1021 CB GLU A 63 4.117 11.085 -9.180 1.00 0.00 C ATOM 1022 CG GLU A 63 2.645 10.720 -9.114 1.00 0.00 C ATOM 1023 CD GLU A 63 1.776 11.925 -8.798 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.552 12.212 -7.606 1.00 0.00 O ATOM 1025 OE2 GLU A 63 1.331 12.608 -9.750 1.00 0.00 O ATOM 0 H GLU A 63 4.745 9.036 -7.862 1.00 0.00 H new ATOM 0 HA GLU A 63 4.572 9.563 -10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.455 11.358 -8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.230 11.969 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.335 10.289 -10.066 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.495 9.954 -8.353 1.00 0.00 H new ATOM 1032 N ASP A 64 7.234 10.728 -9.035 1.00 0.00 N ATOM 1033 CA ASP A 64 8.601 11.221 -9.226 1.00 0.00 C ATOM 1034 C ASP A 64 9.360 10.323 -10.193 1.00 0.00 C ATOM 1035 O ASP A 64 10.271 10.767 -10.891 1.00 0.00 O ATOM 1036 CB ASP A 64 9.363 11.275 -7.898 1.00 0.00 C ATOM 1037 CG ASP A 64 8.916 12.401 -6.988 1.00 0.00 C ATOM 1038 OD1 ASP A 64 9.124 13.582 -7.347 1.00 0.00 O ATOM 1039 OD2 ASP A 64 8.397 12.112 -5.891 1.00 0.00 O ATOM 0 H ASP A 64 6.997 10.514 -8.066 1.00 0.00 H new ATOM 0 HA ASP A 64 8.529 12.229 -9.635 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.236 10.326 -7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.428 11.386 -8.104 1.00 0.00 H new ATOM 1044 N ARG A 65 8.969 9.059 -10.218 1.00 0.00 N ATOM 1045 CA ARG A 65 9.585 8.073 -11.090 1.00 0.00 C ATOM 1046 C ARG A 65 8.971 8.121 -12.486 1.00 0.00 C ATOM 1047 O ARG A 65 9.657 7.918 -13.488 1.00 0.00 O ATOM 1048 CB ARG A 65 9.406 6.676 -10.491 1.00 0.00 C ATOM 1049 CG ARG A 65 9.962 6.550 -9.085 1.00 0.00 C ATOM 1050 CD ARG A 65 9.535 5.252 -8.420 1.00 0.00 C ATOM 1051 NE ARG A 65 10.050 4.070 -9.109 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.351 2.929 -8.493 1.00 0.00 C ATOM 1053 NH1 ARG A 65 10.232 2.836 -7.176 1.00 0.00 N ATOM 1054 NH2 ARG A 65 10.779 1.884 -9.188 1.00 0.00 N ATOM 0 H ARG A 65 8.218 8.689 -9.636 1.00 0.00 H new ATOM 0 HA ARG A 65 10.647 8.301 -11.176 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.345 6.427 -10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.897 5.946 -11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.050 6.599 -9.119 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.624 7.394 -8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.883 5.246 -7.387 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.446 5.205 -8.390 1.00 0.00 H new ATOM 0 HE ARG A 65 10.186 4.123 -10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.910 3.639 -6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.463 1.962 -6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.879 1.952 -10.201 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.008 1.013 -8.710 1.00 0.00 H new ATOM 1068 N GLY A 66 7.674 8.396 -12.546 1.00 0.00 N ATOM 1069 CA GLY A 66 6.971 8.393 -13.812 1.00 0.00 C ATOM 1070 C GLY A 66 6.208 7.102 -14.012 1.00 0.00 C ATOM 1071 O GLY A 66 5.596 6.879 -15.054 1.00 0.00 O ATOM 0 H GLY A 66 7.096 8.622 -11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.281 9.236 -13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.683 8.528 -14.626 1.00 0.00 H new ATOM 1075 N ALA A 67 6.246 6.255 -12.994 1.00 0.00 N ATOM 1076 CA ALA A 67 5.570 4.972 -13.033 1.00 0.00 C ATOM 1077 C ALA A 67 4.104 5.132 -12.662 1.00 0.00 C ATOM 1078 O ALA A 67 3.734 5.014 -11.495 1.00 0.00 O ATOM 1079 CB ALA A 67 6.250 3.997 -12.089 1.00 0.00 C ATOM 0 H ALA A 67 6.744 6.439 -12.123 1.00 0.00 H new ATOM 0 HA ALA A 67 5.627 4.577 -14.047 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.736 3.037 -12.125 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.289 3.864 -12.390 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.214 4.390 -11.073 1.00 0.00 H new ATOM 1085 N MET A 68 3.275 5.413 -13.655 1.00 0.00 N ATOM 1086 CA MET A 68 1.860 5.650 -13.415 1.00 0.00 C ATOM 1087 C MET A 68 1.166 4.355 -13.008 1.00 0.00 C ATOM 1088 O MET A 68 0.355 4.339 -12.082 1.00 0.00 O ATOM 1089 CB MET A 68 1.197 6.237 -14.663 1.00 0.00 C ATOM 1090 CG MET A 68 -0.174 6.843 -14.403 1.00 0.00 C ATOM 1091 SD MET A 68 -0.109 8.587 -13.920 1.00 0.00 S ATOM 1092 CE MET A 68 0.816 8.519 -12.385 1.00 0.00 C ATOM 0 H MET A 68 3.557 5.482 -14.633 1.00 0.00 H new ATOM 0 HA MET A 68 1.764 6.368 -12.600 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.849 7.003 -15.083 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.101 5.453 -15.415 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.783 6.745 -15.302 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.671 6.274 -13.617 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.618 9.418 -11.801 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.511 7.641 -11.815 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.882 8.457 -12.605 1.00 0.00 H new ATOM 1102 N GLU A 69 1.504 3.271 -13.701 1.00 0.00 N ATOM 1103 CA GLU A 69 0.988 1.948 -13.364 1.00 0.00 C ATOM 1104 C GLU A 69 1.260 1.610 -11.911 1.00 0.00 C ATOM 1105 O GLU A 69 0.349 1.300 -11.150 1.00 0.00 O ATOM 1106 CB GLU A 69 1.645 0.872 -14.221 1.00 0.00 C ATOM 1107 CG GLU A 69 0.998 0.652 -15.569 1.00 0.00 C ATOM 1108 CD GLU A 69 1.600 -0.542 -16.276 1.00 0.00 C ATOM 1109 OE1 GLU A 69 1.985 -1.515 -15.583 1.00 0.00 O ATOM 1110 OE2 GLU A 69 1.695 -0.518 -17.517 1.00 0.00 O ATOM 0 H GLU A 69 2.135 3.283 -14.502 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.086 1.973 -13.548 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.691 1.138 -14.375 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.633 -0.069 -13.670 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.074 0.500 -15.441 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.122 1.543 -16.185 1.00 0.00 H new ATOM 1117 N ARG A 70 2.525 1.685 -11.537 1.00 0.00 N ATOM 1118 CA ARG A 70 2.970 1.209 -10.240 1.00 0.00 C ATOM 1119 C ARG A 70 2.555 2.162 -9.128 1.00 0.00 C ATOM 1120 O ARG A 70 2.622 1.814 -7.949 1.00 0.00 O ATOM 1121 CB ARG A 70 4.480 0.988 -10.273 1.00 0.00 C ATOM 1122 CG ARG A 70 4.881 0.033 -11.383 1.00 0.00 C ATOM 1123 CD ARG A 70 6.380 -0.167 -11.481 1.00 0.00 C ATOM 1124 NE ARG A 70 6.713 -1.029 -12.613 1.00 0.00 N ATOM 1125 CZ ARG A 70 7.826 -1.752 -12.709 1.00 0.00 C ATOM 1126 NH1 ARG A 70 8.731 -1.723 -11.736 1.00 0.00 N ATOM 1127 NH2 ARG A 70 8.029 -2.509 -13.781 1.00 0.00 N ATOM 0 H ARG A 70 3.267 2.074 -12.119 1.00 0.00 H new ATOM 0 HA ARG A 70 2.487 0.256 -10.023 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.985 1.944 -10.414 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.811 0.591 -9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.402 -0.932 -11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.508 0.413 -12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.874 0.798 -11.595 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.754 -0.610 -10.558 1.00 0.00 H new ATOM 0 HE ARG A 70 6.046 -1.080 -13.383 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.574 -1.145 -10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.582 -2.279 -11.815 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.333 -2.535 -14.526 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.881 -3.065 -13.859 1.00 0.00 H new ATOM 1141 N ALA A 71 2.109 3.352 -9.509 1.00 0.00 N ATOM 1142 CA ALA A 71 1.510 4.277 -8.562 1.00 0.00 C ATOM 1143 C ALA A 71 0.105 3.804 -8.208 1.00 0.00 C ATOM 1144 O ALA A 71 -0.258 3.708 -7.036 1.00 0.00 O ATOM 1145 CB ALA A 71 1.477 5.686 -9.137 1.00 0.00 C ATOM 0 H ALA A 71 2.152 3.697 -10.468 1.00 0.00 H new ATOM 0 HA ALA A 71 2.114 4.301 -7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.025 6.364 -8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.493 6.014 -9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.889 5.691 -10.055 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.676 3.479 -9.234 1.00 0.00 N ATOM 1152 CA ASN A 72 -2.021 2.952 -9.033 1.00 0.00 C ATOM 1153 C ASN A 72 -1.961 1.547 -8.447 1.00 0.00 C ATOM 1154 O ASN A 72 -2.796 1.168 -7.627 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.812 2.946 -10.344 1.00 0.00 C ATOM 1156 CG ASN A 72 -3.199 4.340 -10.797 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -3.386 5.241 -9.982 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -3.334 4.525 -12.102 1.00 0.00 N ATOM 0 H ASN A 72 -0.401 3.571 -10.212 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.536 3.605 -8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.216 2.468 -11.121 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.713 2.346 -10.218 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.602 5.441 -12.462 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.170 3.752 -12.746 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.958 0.780 -8.864 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.741 -0.557 -8.329 1.00 0.00 C ATOM 1167 C LYS A 73 -0.302 -0.488 -6.871 1.00 0.00 C ATOM 1168 O LYS A 73 -0.506 -1.432 -6.107 1.00 0.00 O ATOM 1169 CB LYS A 73 0.288 -1.319 -9.174 1.00 0.00 C ATOM 1170 CG LYS A 73 -0.247 -1.713 -10.543 1.00 0.00 C ATOM 1171 CD LYS A 73 0.823 -2.337 -11.427 1.00 0.00 C ATOM 1172 CE LYS A 73 0.238 -2.771 -12.764 1.00 0.00 C ATOM 1173 NZ LYS A 73 1.268 -3.316 -13.691 1.00 0.00 N ATOM 0 H LYS A 73 -0.282 1.064 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.685 -1.101 -8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.177 -0.700 -9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.598 -2.216 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.069 -2.418 -10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.655 -0.832 -11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.627 -1.620 -11.593 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.262 -3.197 -10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.528 -3.528 -12.593 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.254 -1.920 -13.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.805 -3.881 -14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.790 -2.531 -14.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.929 -3.918 -13.160 1.00 0.00 H new ATOM 1187 N ALA A 74 0.302 0.630 -6.483 1.00 0.00 N ATOM 1188 CA ALA A 74 0.620 0.872 -5.083 1.00 0.00 C ATOM 1189 C ALA A 74 -0.669 1.047 -4.294 1.00 0.00 C ATOM 1190 O ALA A 74 -0.914 0.329 -3.325 1.00 0.00 O ATOM 1191 CB ALA A 74 1.509 2.098 -4.932 1.00 0.00 C ATOM 0 H ALA A 74 0.580 1.380 -7.117 1.00 0.00 H new ATOM 0 HA ALA A 74 1.167 0.014 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.732 2.258 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.438 1.943 -5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.994 2.972 -5.330 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.498 1.986 -4.747 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.804 2.236 -4.140 1.00 0.00 C ATOM 1199 C ARG A 75 -3.630 0.951 -4.063 1.00 0.00 C ATOM 1200 O ARG A 75 -4.265 0.673 -3.049 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.567 3.282 -4.954 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.910 3.670 -4.354 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.741 4.476 -5.339 1.00 0.00 C ATOM 1204 NE ARG A 75 -6.979 4.980 -4.740 1.00 0.00 N ATOM 1205 CZ ARG A 75 -8.196 4.759 -5.243 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -8.357 3.963 -6.292 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -9.262 5.310 -4.680 1.00 0.00 N ATOM 0 H ARG A 75 -1.285 2.591 -5.540 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.640 2.605 -3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.950 4.176 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.727 2.898 -5.961 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.455 2.771 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.751 4.253 -3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.151 5.315 -5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.984 3.854 -6.200 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.907 5.534 -3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.548 3.514 -6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.290 3.800 -6.670 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.155 5.906 -3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.190 5.138 -5.068 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.615 0.177 -5.144 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.384 -1.063 -5.222 1.00 0.00 C ATOM 1223 C ARG A 76 -3.951 -2.049 -4.138 1.00 0.00 C ATOM 1224 O ARG A 76 -4.786 -2.608 -3.428 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.210 -1.703 -6.600 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.181 -2.843 -6.867 1.00 0.00 C ATOM 1227 CD ARG A 76 -4.827 -3.601 -8.138 1.00 0.00 C ATOM 1228 NE ARG A 76 -4.707 -2.721 -9.300 1.00 0.00 N ATOM 1229 CZ ARG A 76 -4.326 -3.138 -10.510 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -4.090 -4.425 -10.735 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -4.187 -2.268 -11.503 1.00 0.00 N ATOM 0 H ARG A 76 -3.075 0.388 -5.984 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.434 -0.818 -5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.340 -0.938 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.190 -2.076 -6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.176 -3.530 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.193 -2.447 -6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.887 -4.133 -7.990 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.591 -4.353 -8.333 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.927 -1.732 -9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.199 -5.103 -9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.799 -4.736 -11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.371 -1.278 -11.343 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.896 -2.590 -12.426 1.00 0.00 H new ATOM 1245 N ARG A 77 -2.644 -2.253 -4.017 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.104 -3.183 -3.030 1.00 0.00 C ATOM 1247 C ARG A 77 -2.411 -2.709 -1.618 1.00 0.00 C ATOM 1248 O ARG A 77 -2.870 -3.485 -0.783 1.00 0.00 O ATOM 1249 CB ARG A 77 -0.597 -3.349 -3.217 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.223 -4.124 -4.469 1.00 0.00 C ATOM 1251 CD ARG A 77 1.276 -4.098 -4.713 1.00 0.00 C ATOM 1252 NE ARG A 77 1.759 -2.748 -4.998 1.00 0.00 N ATOM 1253 CZ ARG A 77 3.043 -2.388 -4.958 1.00 0.00 C ATOM 1254 NH1 ARG A 77 3.978 -3.287 -4.658 1.00 0.00 N ATOM 1255 NH2 ARG A 77 3.393 -1.134 -5.228 1.00 0.00 N ATOM 0 H ARG A 77 -1.939 -1.788 -4.589 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.582 -4.151 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.133 -2.363 -3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.185 -3.860 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.559 -5.156 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.740 -3.699 -5.329 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.793 -4.491 -3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.519 -4.754 -5.549 1.00 0.00 H new ATOM 0 HE ARG A 77 1.071 -2.036 -5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.713 -4.252 -4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.960 -3.011 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.679 -0.445 -5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.375 -0.861 -5.197 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.178 -1.425 -1.362 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.470 -0.848 -0.056 1.00 0.00 C ATOM 1271 C CYS A 78 -3.961 -0.938 0.248 1.00 0.00 C ATOM 1272 O CYS A 78 -4.355 -1.152 1.391 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.001 0.607 0.005 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.221 0.816 -0.242 1.00 0.00 S ATOM 0 H CYS A 78 -1.790 -0.768 -2.039 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.928 -1.418 0.699 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.533 1.182 -0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.275 1.026 0.973 1.00 0.00 H new ATOM 0 HG CYS A 78 0.057 0.712 -1.508 1.00 0.00 H new ATOM 1280 N GLY A 79 -4.782 -0.787 -0.788 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.221 -0.907 -0.634 1.00 0.00 C ATOM 1282 C GLY A 79 -6.634 -2.285 -0.158 1.00 0.00 C ATOM 1283 O GLY A 79 -7.537 -2.417 0.671 1.00 0.00 O ATOM 0 H GLY A 79 -4.473 -0.582 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.572 -0.159 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.705 -0.694 -1.587 1.00 0.00 H new ATOM 1287 N GLU A 80 -5.971 -3.311 -0.678 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.229 -4.678 -0.252 1.00 0.00 C ATOM 1289 C GLU A 80 -5.710 -4.886 1.168 1.00 0.00 C ATOM 1290 O GLU A 80 -6.325 -5.593 1.966 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.588 -5.678 -1.220 1.00 0.00 C ATOM 1292 CG GLU A 80 -5.899 -7.132 -0.892 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.387 -8.094 -1.944 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -4.168 -8.343 -1.989 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -6.202 -8.607 -2.739 1.00 0.00 O ATOM 0 H GLU A 80 -5.251 -3.221 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.305 -4.851 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.931 -5.462 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.507 -5.536 -1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.456 -7.385 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.977 -7.254 -0.789 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.585 -4.247 1.482 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.045 -4.257 2.838 1.00 0.00 C ATOM 1304 C VAL A 81 -5.048 -3.635 3.811 1.00 0.00 C ATOM 1305 O VAL A 81 -5.281 -4.157 4.902 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.701 -3.497 2.924 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.193 -3.446 4.356 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.662 -4.137 2.017 1.00 0.00 C ATOM 0 H VAL A 81 -4.029 -3.715 0.813 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.865 -5.297 3.111 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.874 -2.475 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.247 -2.906 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.923 -2.935 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.044 -4.461 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.724 -3.587 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.501 -5.171 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.015 -4.113 0.986 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.648 -2.523 3.397 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.690 -1.877 4.185 1.00 0.00 C ATOM 1320 C PHE A 82 -7.868 -2.822 4.382 1.00 0.00 C ATOM 1321 O PHE A 82 -8.384 -2.961 5.490 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.172 -0.590 3.511 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.156 0.516 3.490 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.434 0.835 4.626 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.933 1.244 2.334 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.503 1.856 4.610 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -5.004 2.266 2.311 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.287 2.572 3.450 1.00 0.00 C ATOM 0 H PHE A 82 -5.430 -2.051 2.520 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.264 -1.623 5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.464 -0.818 2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.065 -0.237 4.026 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.600 0.279 5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.492 1.010 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.945 2.093 5.504 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.839 2.825 1.402 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.559 3.370 3.434 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.282 -3.475 3.301 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.380 -4.434 3.356 1.00 0.00 C ATOM 1340 C ARG A 83 -9.031 -5.592 4.287 1.00 0.00 C ATOM 1341 O ARG A 83 -9.868 -6.051 5.063 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.696 -4.965 1.957 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.841 -5.965 1.930 1.00 0.00 C ATOM 1344 CD ARG A 83 -11.090 -6.495 0.528 1.00 0.00 C ATOM 1345 NE ARG A 83 -11.437 -5.428 -0.411 1.00 0.00 N ATOM 1346 CZ ARG A 83 -11.850 -5.642 -1.661 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -12.007 -6.881 -2.114 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -12.117 -4.611 -2.451 1.00 0.00 N ATOM 0 H ARG A 83 -7.873 -3.357 2.374 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.261 -3.924 3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.942 -4.126 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.803 -5.436 1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.615 -6.796 2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.747 -5.491 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.199 -7.013 0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.896 -7.229 0.556 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.358 -4.463 -0.091 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.811 -7.675 -1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.323 -7.038 -3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.006 -3.659 -2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.433 -4.770 -3.408 1.00 0.00 H new ATOM 1362 N TYR A 84 -7.786 -6.048 4.201 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.278 -7.110 5.063 1.00 0.00 C ATOM 1364 C TYR A 84 -7.477 -6.724 6.528 1.00 0.00 C ATOM 1365 O TYR A 84 -7.859 -7.547 7.361 1.00 0.00 O ATOM 1366 CB TYR A 84 -5.789 -7.333 4.773 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.258 -8.692 5.174 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -4.888 -8.970 6.485 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.107 -9.691 4.224 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -4.383 -10.209 6.835 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.608 -10.932 4.565 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.245 -11.186 5.869 1.00 0.00 C ATOM 1373 OH TYR A 84 -3.738 -12.421 6.205 1.00 0.00 O ATOM 0 H TYR A 84 -7.102 -5.693 3.533 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.823 -8.033 4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.617 -7.192 3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.214 -6.567 5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.997 -8.207 7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.385 -9.494 3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.098 -10.411 7.857 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.503 -11.700 3.813 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.992 -13.076 5.522 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.230 -5.455 6.822 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.416 -4.922 8.162 1.00 0.00 C ATOM 1385 C ALA A 85 -8.897 -4.817 8.514 1.00 0.00 C ATOM 1386 O ALA A 85 -9.285 -5.072 9.646 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.738 -3.569 8.293 1.00 0.00 C ATOM 0 H ALA A 85 -6.897 -4.771 6.143 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.954 -5.613 8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.887 -3.184 9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.671 -3.677 8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.169 -2.874 7.572 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.722 -4.447 7.545 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.163 -4.363 7.764 1.00 0.00 C ATOM 1395 C ILE A 86 -11.733 -5.735 8.131 1.00 0.00 C ATOM 1396 O ILE A 86 -12.527 -5.864 9.064 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.893 -3.803 6.521 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.402 -2.384 6.218 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.403 -3.815 6.733 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.970 -1.799 4.944 1.00 0.00 C ATOM 0 H ILE A 86 -9.422 -4.200 6.602 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.329 -3.675 8.593 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.666 -4.441 5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.663 -1.734 7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.314 -2.393 6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.898 -3.417 5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.738 -4.838 6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.654 -3.199 7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.576 -0.793 4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.687 -2.426 4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.057 -1.756 5.016 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.293 -6.761 7.411 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.743 -8.128 7.663 1.00 0.00 C ATOM 1414 C VAL A 87 -11.260 -8.623 9.025 1.00 0.00 C ATOM 1415 O VAL A 87 -11.989 -9.313 9.742 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.247 -9.095 6.567 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.760 -10.508 6.809 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.670 -8.603 5.195 1.00 0.00 C ATOM 0 H VAL A 87 -10.624 -6.673 6.646 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.833 -8.111 7.653 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.158 -9.121 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.395 -11.167 6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.403 -10.864 7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.850 -10.505 6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.312 -9.296 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.757 -8.543 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.245 -7.616 5.015 1.00 0.00 H new ATOM 1428 N THR A 88 -10.035 -8.260 9.381 1.00 0.00 N ATOM 1429 CA THR A 88 -9.452 -8.690 10.644 1.00 0.00 C ATOM 1430 C THR A 88 -9.957 -7.840 11.809 1.00 0.00 C ATOM 1431 O THR A 88 -9.754 -8.182 12.975 1.00 0.00 O ATOM 1432 CB THR A 88 -7.912 -8.639 10.584 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.485 -7.381 10.050 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.364 -9.766 9.722 1.00 0.00 C ATOM 0 H THR A 88 -9.427 -7.670 8.814 1.00 0.00 H new ATOM 0 HA THR A 88 -9.764 -9.721 10.812 1.00 0.00 H new ATOM 0 HB THR A 88 -7.529 -8.757 11.598 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.491 -7.422 9.071 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.276 -9.708 9.696 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.666 -10.725 10.142 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.757 -9.674 8.709 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.626 -6.738 11.490 1.00 0.00 N ATOM 1443 CA GLY A 89 -11.164 -5.867 12.521 1.00 0.00 C ATOM 1444 C GLY A 89 -10.164 -4.822 12.978 1.00 0.00 C ATOM 1445 O GLY A 89 -10.362 -4.161 13.998 1.00 0.00 O ATOM 0 H GLY A 89 -10.806 -6.431 10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.057 -5.370 12.142 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.472 -6.469 13.376 1.00 0.00 H new ATOM 1449 N ARG A 90 -9.094 -4.668 12.213 1.00 0.00 N ATOM 1450 CA ARG A 90 -8.045 -3.711 12.532 1.00 0.00 C ATOM 1451 C ARG A 90 -8.371 -2.334 11.963 1.00 0.00 C ATOM 1452 O ARG A 90 -7.771 -1.338 12.352 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.698 -4.182 11.978 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.196 -5.482 12.581 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.830 -5.848 12.025 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.300 -7.077 12.616 1.00 0.00 N ATOM 1457 CZ ARG A 90 -3.219 -7.712 12.166 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -2.543 -7.222 11.141 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -2.808 -8.832 12.748 1.00 0.00 N ATOM 0 H ARG A 90 -8.929 -5.199 11.358 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.983 -3.640 13.618 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.785 -4.305 10.899 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.955 -3.404 12.151 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.137 -5.385 13.665 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.905 -6.283 12.370 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.901 -5.969 10.944 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.134 -5.030 12.209 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.787 -7.471 13.421 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.849 -6.357 10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.715 -7.708 10.797 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.321 -9.211 13.544 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.980 -9.314 12.399 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.314 -2.282 11.033 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.698 -1.018 10.416 1.00 0.00 C ATOM 1475 C ALA A 91 -11.196 -0.974 10.152 1.00 0.00 C ATOM 1476 O ALA A 91 -11.858 -2.013 10.099 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.923 -0.797 9.124 1.00 0.00 C ATOM 0 H ALA A 91 -9.826 -3.095 10.690 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.452 -0.215 11.110 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.223 0.151 8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.855 -0.775 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.136 -1.609 8.429 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.725 0.232 9.995 1.00 0.00 N ATOM 1484 CA LYS A 92 -13.143 0.421 9.721 1.00 0.00 C ATOM 1485 C LYS A 92 -13.338 1.118 8.379 1.00 0.00 C ATOM 1486 O LYS A 92 -14.256 0.795 7.624 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.793 1.245 10.835 1.00 0.00 C ATOM 1488 CG LYS A 92 -13.705 0.596 12.206 1.00 0.00 C ATOM 1489 CD LYS A 92 -14.336 1.472 13.272 1.00 0.00 C ATOM 1490 CE LYS A 92 -14.284 0.815 14.642 1.00 0.00 C ATOM 1491 NZ LYS A 92 -15.007 -0.485 14.666 1.00 0.00 N ATOM 0 H LYS A 92 -11.190 1.098 10.053 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.619 -0.559 9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.317 2.225 10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -14.842 1.410 10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.205 -0.372 12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.661 0.410 12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.819 2.431 13.308 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.373 1.679 13.007 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.244 0.657 14.929 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -14.720 1.486 15.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -15.153 -0.783 15.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -15.929 -0.378 14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.445 -1.204 14.167 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.472 2.076 8.093 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.521 2.809 6.840 1.00 0.00 C ATOM 1507 C TYR A 93 -11.152 2.782 6.175 1.00 0.00 C ATOM 1508 O TYR A 93 -10.124 2.914 6.840 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.971 4.259 7.077 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.912 5.140 5.842 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -13.895 5.073 4.860 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.867 6.039 5.660 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -13.836 5.877 3.734 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -11.802 6.845 4.539 1.00 0.00 C ATOM 1515 CZ TYR A 93 -12.787 6.762 3.579 1.00 0.00 C ATOM 1516 OH TYR A 93 -12.724 7.564 2.459 1.00 0.00 O ATOM 0 H TYR A 93 -11.720 2.366 8.718 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.247 2.331 6.182 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.993 4.253 7.456 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.345 4.699 7.854 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.717 4.383 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.092 6.109 6.409 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.607 5.812 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.982 7.537 4.416 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.924 8.129 2.506 1.00 0.00 H new ATOM 1526 N ASN A 94 -11.143 2.579 4.872 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.913 2.628 4.107 1.00 0.00 C ATOM 1528 C ASN A 94 -9.805 3.975 3.406 1.00 0.00 C ATOM 1529 O ASN A 94 -10.712 4.374 2.683 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.844 1.478 3.088 1.00 0.00 C ATOM 1531 CG ASN A 94 -11.010 1.441 2.108 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -12.132 1.831 2.427 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.747 0.955 0.902 1.00 0.00 N ATOM 0 H ASN A 94 -11.977 2.378 4.320 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.072 2.509 4.790 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.914 1.561 2.526 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.807 0.531 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.488 0.895 0.203 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.804 0.641 0.673 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.695 4.699 3.618 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.483 6.040 3.044 1.00 0.00 C ATOM 1542 C PRO A 95 -8.289 6.022 1.525 1.00 0.00 C ATOM 1543 O PRO A 95 -7.668 6.920 0.960 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.200 6.533 3.733 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.977 5.603 4.877 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.562 4.289 4.458 1.00 0.00 C ATOM 0 HA PRO A 95 -9.351 6.678 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.355 6.518 3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.311 7.561 4.079 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.914 5.504 5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.458 5.974 5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.845 3.683 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.885 3.697 5.314 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.846 5.014 0.868 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.716 4.857 -0.574 1.00 0.00 C ATOM 1556 C ALA A 96 -9.513 5.921 -1.344 1.00 0.00 C ATOM 1557 O ALA A 96 -8.972 6.542 -2.261 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.136 3.454 -0.997 1.00 0.00 C ATOM 0 H ALA A 96 -9.399 4.284 1.318 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.665 5.000 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.033 3.354 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.501 2.719 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.175 3.285 -0.714 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.808 6.148 -1.016 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.602 7.197 -1.668 1.00 0.00 C ATOM 1566 C PRO A 97 -11.006 8.588 -1.464 1.00 0.00 C ATOM 1567 O PRO A 97 -10.898 9.367 -2.413 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.973 7.099 -0.993 1.00 0.00 C ATOM 1569 CG PRO A 97 -13.024 5.723 -0.435 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.616 5.401 -0.031 1.00 0.00 C ATOM 0 HA PRO A 97 -11.640 7.056 -2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.082 7.848 -0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.779 7.266 -1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.699 5.671 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.392 5.013 -1.176 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.406 5.721 0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.418 4.330 -0.076 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.598 8.890 -0.233 1.00 0.00 N ATOM 1579 CA ASP A 98 -10.023 10.200 0.069 1.00 0.00 C ATOM 1580 C ASP A 98 -8.630 10.329 -0.541 1.00 0.00 C ATOM 1581 O ASP A 98 -8.137 11.432 -0.762 1.00 0.00 O ATOM 1582 CB ASP A 98 -9.969 10.447 1.581 1.00 0.00 C ATOM 1583 CG ASP A 98 -9.693 11.905 1.914 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -10.382 12.784 1.352 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -8.807 12.180 2.753 1.00 0.00 O ATOM 0 H ASP A 98 -10.653 8.255 0.563 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.669 10.958 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.915 10.146 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.193 9.822 2.022 1.00 0.00 H new ATOM 1590 N LEU A 99 -8.002 9.191 -0.821 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.734 9.174 -1.543 1.00 0.00 C ATOM 1592 C LEU A 99 -6.945 9.750 -2.940 1.00 0.00 C ATOM 1593 O LEU A 99 -6.104 10.482 -3.458 1.00 0.00 O ATOM 1594 CB LEU A 99 -6.184 7.735 -1.613 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.778 7.556 -2.211 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -4.811 7.571 -3.732 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.839 8.629 -1.694 1.00 0.00 C ATOM 0 H LEU A 99 -8.350 8.269 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.001 9.787 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.178 7.325 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.880 7.134 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.408 6.581 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.800 7.442 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.443 6.759 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.213 8.523 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.849 8.486 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.220 9.611 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.772 8.562 -0.608 1.00 0.00 H new ATOM 1609 N ALA A 100 -8.088 9.428 -3.533 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.436 9.951 -4.844 1.00 0.00 C ATOM 1611 C ALA A 100 -8.692 11.450 -4.760 1.00 0.00 C ATOM 1612 O ALA A 100 -8.313 12.206 -5.653 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.649 9.223 -5.403 1.00 0.00 C ATOM 0 H ALA A 100 -8.788 8.808 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.600 9.783 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.895 9.627 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.425 8.160 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.497 9.359 -4.731 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.323 11.878 -3.669 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.541 13.303 -3.428 1.00 0.00 C ATOM 1621 C ASP A 101 -8.218 14.017 -3.213 1.00 0.00 C ATOM 1622 O ASP A 101 -8.037 15.148 -3.658 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.461 13.537 -2.226 1.00 0.00 C ATOM 1624 CG ASP A 101 -11.927 13.420 -2.583 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -12.474 14.371 -3.187 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -12.543 12.383 -2.259 1.00 0.00 O ATOM 0 H ASP A 101 -9.690 11.264 -2.942 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.029 13.712 -4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.222 12.815 -1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.269 14.528 -1.814 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.294 13.350 -2.535 1.00 0.00 N ATOM 1632 CA ALA A 102 -5.958 13.886 -2.330 1.00 0.00 C ATOM 1633 C ALA A 102 -5.216 13.982 -3.658 1.00 0.00 C ATOM 1634 O ALA A 102 -4.608 15.001 -3.967 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.182 13.023 -1.343 1.00 0.00 C ATOM 0 H ALA A 102 -7.448 12.433 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.047 14.888 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.185 13.439 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.706 13.003 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.100 12.008 -1.733 1.00 0.00 H new ATOM 1641 N MET A 103 -5.291 12.923 -4.451 1.00 0.00 N ATOM 1642 CA MET A 103 -4.666 12.892 -5.772 1.00 0.00 C ATOM 1643 C MET A 103 -5.232 13.995 -6.673 1.00 0.00 C ATOM 1644 O MET A 103 -4.585 14.439 -7.620 1.00 0.00 O ATOM 1645 CB MET A 103 -4.885 11.520 -6.415 1.00 0.00 C ATOM 1646 CG MET A 103 -4.168 11.342 -7.743 1.00 0.00 C ATOM 1647 SD MET A 103 -4.549 9.772 -8.540 1.00 0.00 S ATOM 1648 CE MET A 103 -3.836 8.622 -7.368 1.00 0.00 C ATOM 0 H MET A 103 -5.783 12.065 -4.202 1.00 0.00 H new ATOM 0 HA MET A 103 -3.597 13.069 -5.654 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.547 10.748 -5.724 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.953 11.367 -6.567 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.442 12.159 -8.411 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.092 11.410 -7.581 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.184 7.924 -7.894 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.256 9.171 -6.626 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.633 8.069 -6.870 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.440 14.436 -6.364 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.087 15.487 -7.131 1.00 0.00 C ATOM 1660 C LYS A 104 -6.759 16.864 -6.557 1.00 0.00 C ATOM 1661 O LYS A 104 -6.214 17.727 -7.248 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.602 15.258 -7.139 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.377 16.270 -7.962 1.00 0.00 C ATOM 1664 CD LYS A 104 -10.862 15.944 -7.982 1.00 0.00 C ATOM 1665 CE LYS A 104 -11.648 16.954 -8.804 1.00 0.00 C ATOM 1666 NZ LYS A 104 -11.142 17.054 -10.198 1.00 0.00 N ATOM 0 H LYS A 104 -6.994 14.081 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.713 15.454 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.806 14.259 -7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.968 15.284 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.227 17.268 -7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.992 16.284 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.010 14.946 -8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.245 15.928 -6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.700 16.668 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.591 17.932 -8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.828 17.577 -10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.231 17.556 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.012 16.099 -10.590 1.00 0.00 H new