USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 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 26 TYR OH : rot 180:sc= 0.996 USER MOD Set 1.2: A 73 LYS NZ :NH3+ -152:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 5 ASN : amide:sc= 1.3 K(o=2.5,f=1.7) USER MOD Set 2.2: A 48 GLN : amide:sc= 1.24 K(o=2.5,f=-0.81!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 67:sc= 0.251 USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= -0.0125 (180deg=-0.165) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.03) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.401 K(o=0.4,f=-0.64) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 28 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 155:sc= -0.102 (180deg=-0.577) USER MOD Single : A 53 MET CE :methyl 159:sc= -0.13 (180deg=-0.729) USER MOD Single : A 54 GLN : amide:sc= -0.451 K(o=-0.45,f=-1.1) USER MOD Single : A 68 MET CE :methyl -158:sc= -0.721 (180deg=-1.61) USER MOD Single : A 72 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 78 CYS SG : rot 77:sc= 0.938 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -32:sc= 0.544 USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= -0.0371 (180deg=-0.234) USER MOD Single : A 93 TYR OH : rot -161:sc= 1.18 USER MOD Single : A 94 ASN : amide:sc= 0.24 K(o=0.24,f=-4.7!) USER MOD Single : A 103 MET CE :methyl -150:sc= -0.845 (180deg=-3.91!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -0.203 -3.535 14.803 1.00 0.00 N ATOM 54 CA ASN A 5 -1.182 -2.935 13.902 1.00 0.00 C ATOM 55 C ASN A 5 -0.525 -1.975 12.915 1.00 0.00 C ATOM 56 O ASN A 5 -1.211 -1.198 12.242 1.00 0.00 O ATOM 57 CB ASN A 5 -2.260 -2.193 14.700 1.00 0.00 C ATOM 58 CG ASN A 5 -1.726 -0.979 15.440 1.00 0.00 C ATOM 59 OD1 ASN A 5 -0.574 -0.950 15.879 1.00 0.00 O ATOM 60 ND2 ASN A 5 -2.565 0.032 15.589 1.00 0.00 N ATOM 0 HA ASN A 5 -1.641 -3.745 13.336 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.053 -1.877 14.022 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.709 -2.880 15.418 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.267 0.874 16.082 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.510 -0.030 15.211 1.00 0.00 H new ATOM 67 N SER A 6 0.797 -2.023 12.828 1.00 0.00 N ATOM 68 CA SER A 6 1.517 -1.197 11.870 1.00 0.00 C ATOM 69 C SER A 6 1.250 -1.689 10.453 1.00 0.00 C ATOM 70 O SER A 6 0.936 -2.868 10.244 1.00 0.00 O ATOM 71 CB SER A 6 3.018 -1.216 12.164 1.00 0.00 C ATOM 72 OG SER A 6 3.523 -2.540 12.166 1.00 0.00 O ATOM 0 H SER A 6 1.389 -2.621 13.405 1.00 0.00 H new ATOM 0 HA SER A 6 1.163 -0.170 11.961 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.545 -0.624 11.416 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.208 -0.750 13.131 1.00 0.00 H new ATOM 0 HG SER A 6 4.485 -2.523 12.355 1.00 0.00 H new ATOM 78 N PHE A 7 1.368 -0.791 9.486 1.00 0.00 N ATOM 79 CA PHE A 7 1.104 -1.132 8.097 1.00 0.00 C ATOM 80 C PHE A 7 2.056 -2.227 7.624 1.00 0.00 C ATOM 81 O PHE A 7 1.645 -3.153 6.933 1.00 0.00 O ATOM 82 CB PHE A 7 1.229 0.106 7.207 1.00 0.00 C ATOM 83 CG PHE A 7 0.705 -0.099 5.812 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.628 0.144 5.517 1.00 0.00 C ATOM 85 CD2 PHE A 7 1.540 -0.536 4.798 1.00 0.00 C ATOM 86 CE1 PHE A 7 -1.115 -0.044 4.239 1.00 0.00 C ATOM 87 CE2 PHE A 7 1.057 -0.726 3.518 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.271 -0.480 3.238 1.00 0.00 C ATOM 0 H PHE A 7 1.645 0.179 9.638 1.00 0.00 H new ATOM 0 HA PHE A 7 0.083 -1.507 8.024 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.690 0.932 7.671 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.277 0.400 7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.293 0.485 6.297 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.581 -0.731 5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.155 0.150 4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.719 -1.067 2.736 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.650 -0.628 2.237 1.00 0.00 H new ATOM 98 N SER A 8 3.321 -2.124 8.020 1.00 0.00 N ATOM 99 CA SER A 8 4.331 -3.112 7.646 1.00 0.00 C ATOM 100 C SER A 8 3.962 -4.504 8.165 1.00 0.00 C ATOM 101 O SER A 8 4.141 -5.502 7.465 1.00 0.00 O ATOM 102 CB SER A 8 5.706 -2.689 8.182 1.00 0.00 C ATOM 103 OG SER A 8 6.692 -3.686 7.950 1.00 0.00 O ATOM 0 H SER A 8 3.673 -1.364 8.602 1.00 0.00 H new ATOM 0 HA SER A 8 4.373 -3.161 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.011 -1.758 7.705 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.634 -2.491 9.251 1.00 0.00 H new ATOM 0 HG SER A 8 7.554 -3.382 8.303 1.00 0.00 H new ATOM 109 N ALA A 9 3.428 -4.565 9.381 1.00 0.00 N ATOM 110 CA ALA A 9 3.066 -5.839 9.991 1.00 0.00 C ATOM 111 C ALA A 9 1.912 -6.498 9.245 1.00 0.00 C ATOM 112 O ALA A 9 1.949 -7.694 8.950 1.00 0.00 O ATOM 113 CB ALA A 9 2.704 -5.640 11.454 1.00 0.00 C ATOM 0 H ALA A 9 3.237 -3.749 9.962 1.00 0.00 H new ATOM 0 HA ALA A 9 3.930 -6.501 9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.436 -6.600 11.896 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.558 -5.221 11.986 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.858 -4.957 11.530 1.00 0.00 H new ATOM 119 N ILE A 10 0.893 -5.711 8.928 1.00 0.00 N ATOM 120 CA ILE A 10 -0.269 -6.225 8.219 1.00 0.00 C ATOM 121 C ILE A 10 0.072 -6.490 6.754 1.00 0.00 C ATOM 122 O ILE A 10 -0.434 -7.434 6.152 1.00 0.00 O ATOM 123 CB ILE A 10 -1.470 -5.262 8.333 1.00 0.00 C ATOM 124 CG1 ILE A 10 -1.809 -5.034 9.811 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.680 -5.811 7.583 1.00 0.00 C ATOM 126 CD1 ILE A 10 -2.993 -4.121 10.037 1.00 0.00 C ATOM 0 H ILE A 10 0.848 -4.717 9.150 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.555 -7.168 8.686 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.201 -4.309 7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.011 -5.997 10.279 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.938 -4.613 10.312 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.513 -5.115 7.678 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.429 -5.935 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.963 -6.775 8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.168 -4.010 11.107 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.788 -3.144 9.600 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.878 -4.550 9.567 1.00 0.00 H new ATOM 138 N TYR A 11 0.951 -5.664 6.196 1.00 0.00 N ATOM 139 CA TYR A 11 1.471 -5.888 4.851 1.00 0.00 C ATOM 140 C TYR A 11 2.191 -7.229 4.781 1.00 0.00 C ATOM 141 O TYR A 11 2.045 -7.963 3.812 1.00 0.00 O ATOM 142 CB TYR A 11 2.408 -4.739 4.440 1.00 0.00 C ATOM 143 CG TYR A 11 3.604 -5.164 3.610 1.00 0.00 C ATOM 144 CD1 TYR A 11 3.453 -5.666 2.321 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.888 -5.073 4.129 1.00 0.00 C ATOM 146 CE1 TYR A 11 4.549 -6.062 1.576 1.00 0.00 C ATOM 147 CE2 TYR A 11 5.985 -5.465 3.391 1.00 0.00 C ATOM 148 CZ TYR A 11 5.813 -5.959 2.118 1.00 0.00 C ATOM 149 OH TYR A 11 6.908 -6.355 1.389 1.00 0.00 O ATOM 0 H TYR A 11 1.319 -4.831 6.656 1.00 0.00 H new ATOM 0 HA TYR A 11 0.636 -5.911 4.150 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.834 -4.004 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.766 -4.240 5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.464 -5.748 1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.030 -4.689 5.128 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.416 -6.449 0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.977 -5.385 3.811 1.00 0.00 H new ATOM 0 HH TYR A 11 7.026 -5.755 0.623 1.00 0.00 H new ATOM 159 N LYS A 12 2.955 -7.550 5.816 1.00 0.00 N ATOM 160 CA LYS A 12 3.681 -8.809 5.856 1.00 0.00 C ATOM 161 C LYS A 12 2.696 -9.978 5.866 1.00 0.00 C ATOM 162 O LYS A 12 2.871 -10.957 5.139 1.00 0.00 O ATOM 163 CB LYS A 12 4.587 -8.863 7.089 1.00 0.00 C ATOM 164 CG LYS A 12 5.953 -9.476 6.819 1.00 0.00 C ATOM 165 CD LYS A 12 5.848 -10.908 6.321 1.00 0.00 C ATOM 166 CE LYS A 12 7.214 -11.488 5.997 1.00 0.00 C ATOM 167 NZ LYS A 12 8.101 -11.528 7.189 1.00 0.00 N ATOM 0 H LYS A 12 3.087 -6.958 6.636 1.00 0.00 H new ATOM 0 HA LYS A 12 4.307 -8.884 4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.722 -7.852 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.089 -9.438 7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.481 -8.873 6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.547 -9.453 7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.361 -11.523 7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.218 -10.940 5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.095 -12.496 5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.685 -10.892 5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.946 -12.095 6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.388 -10.561 7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.591 -11.957 7.987 1.00 0.00 H new ATOM 181 N GLU A 13 1.653 -9.853 6.681 1.00 0.00 N ATOM 182 CA GLU A 13 0.588 -10.851 6.739 1.00 0.00 C ATOM 183 C GLU A 13 -0.085 -10.983 5.373 1.00 0.00 C ATOM 184 O GLU A 13 -0.252 -12.086 4.847 1.00 0.00 O ATOM 185 CB GLU A 13 -0.441 -10.444 7.798 1.00 0.00 C ATOM 186 CG GLU A 13 -1.585 -11.430 7.968 1.00 0.00 C ATOM 187 CD GLU A 13 -1.140 -12.754 8.550 1.00 0.00 C ATOM 188 OE1 GLU A 13 -0.984 -12.838 9.788 1.00 0.00 O ATOM 189 OE2 GLU A 13 -0.965 -13.718 7.782 1.00 0.00 O ATOM 0 H GLU A 13 1.522 -9.065 7.315 1.00 0.00 H new ATOM 0 HA GLU A 13 1.016 -11.816 7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.067 -10.326 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.852 -9.470 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.343 -10.991 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.055 -11.604 7.000 1.00 0.00 H new ATOM 196 N TRP A 14 -0.455 -9.839 4.806 1.00 0.00 N ATOM 197 CA TRP A 14 -1.054 -9.778 3.479 1.00 0.00 C ATOM 198 C TRP A 14 -0.134 -10.424 2.443 1.00 0.00 C ATOM 199 O TRP A 14 -0.566 -11.278 1.666 1.00 0.00 O ATOM 200 CB TRP A 14 -1.347 -8.312 3.124 1.00 0.00 C ATOM 201 CG TRP A 14 -1.749 -8.081 1.696 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.974 -8.306 1.133 1.00 0.00 C ATOM 203 CD2 TRP A 14 -0.916 -7.565 0.653 1.00 0.00 C ATOM 204 NE1 TRP A 14 -2.949 -7.965 -0.200 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.696 -7.507 -0.517 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.415 -7.146 0.598 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.186 -7.048 -1.727 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.919 -6.691 -0.603 1.00 0.00 C ATOM 209 CH2 TRP A 14 0.121 -6.645 -1.751 1.00 0.00 C ATOM 0 H TRP A 14 -0.348 -8.929 5.254 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.991 -10.336 3.477 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.142 -7.947 3.775 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.460 -7.716 3.339 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.835 -8.694 1.657 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.734 -8.041 -0.847 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.038 -7.178 1.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -1.799 -7.011 -2.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.947 -6.365 -0.658 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.546 -6.284 -2.676 1.00 0.00 H new ATOM 220 N TYR A 15 1.137 -10.032 2.463 1.00 0.00 N ATOM 221 CA TYR A 15 2.129 -10.557 1.534 1.00 0.00 C ATOM 222 C TYR A 15 2.203 -12.076 1.598 1.00 0.00 C ATOM 223 O TYR A 15 2.123 -12.739 0.573 1.00 0.00 O ATOM 224 CB TYR A 15 3.514 -9.960 1.813 1.00 0.00 C ATOM 225 CG TYR A 15 4.629 -10.666 1.072 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.677 -10.662 -0.317 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.621 -11.351 1.761 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.682 -11.323 -0.997 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.632 -12.010 1.088 1.00 0.00 C ATOM 230 CZ TYR A 15 6.657 -11.995 -0.291 1.00 0.00 C ATOM 231 OH TYR A 15 7.658 -12.659 -0.966 1.00 0.00 O ATOM 0 H TYR A 15 1.505 -9.345 3.121 1.00 0.00 H new ATOM 0 HA TYR A 15 1.814 -10.268 0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.511 -8.906 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.713 -10.005 2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.917 -10.134 -0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.602 -11.369 2.841 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.704 -11.313 -2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.399 -12.534 1.639 1.00 0.00 H new ATOM 0 HH TYR A 15 8.264 -13.079 -0.321 1.00 0.00 H new ATOM 241 N GLU A 16 2.342 -12.622 2.800 1.00 0.00 N ATOM 242 CA GLU A 16 2.488 -14.065 2.965 1.00 0.00 C ATOM 243 C GLU A 16 1.256 -14.817 2.471 1.00 0.00 C ATOM 244 O GLU A 16 1.354 -15.969 2.045 1.00 0.00 O ATOM 245 CB GLU A 16 2.765 -14.419 4.422 1.00 0.00 C ATOM 246 CG GLU A 16 4.187 -14.118 4.859 1.00 0.00 C ATOM 247 CD GLU A 16 4.464 -14.595 6.269 1.00 0.00 C ATOM 248 OE1 GLU A 16 4.368 -15.817 6.509 1.00 0.00 O ATOM 249 OE2 GLU A 16 4.777 -13.760 7.139 1.00 0.00 O ATOM 0 H GLU A 16 2.357 -12.092 3.671 1.00 0.00 H new ATOM 0 HA GLU A 16 3.339 -14.374 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.073 -13.868 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.563 -15.479 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.885 -14.595 4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.364 -13.044 4.799 1.00 0.00 H new ATOM 256 N HIS A 17 0.105 -14.166 2.520 1.00 0.00 N ATOM 257 CA HIS A 17 -1.121 -14.778 2.039 1.00 0.00 C ATOM 258 C HIS A 17 -1.189 -14.707 0.514 1.00 0.00 C ATOM 259 O HIS A 17 -1.531 -15.688 -0.147 1.00 0.00 O ATOM 260 CB HIS A 17 -2.345 -14.105 2.665 1.00 0.00 C ATOM 261 CG HIS A 17 -3.628 -14.833 2.396 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.872 -16.113 2.840 1.00 0.00 N ATOM 263 CD2 HIS A 17 -4.736 -14.457 1.718 1.00 0.00 C ATOM 264 CE1 HIS A 17 -5.072 -16.491 2.448 1.00 0.00 C ATOM 265 NE2 HIS A 17 -5.622 -15.505 1.765 1.00 0.00 N ATOM 0 H HIS A 17 -0.005 -13.220 2.886 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.121 -15.827 2.337 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.198 -14.030 3.742 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.426 -13.088 2.283 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.895 -13.507 1.229 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.529 -17.448 2.652 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.550 -15.519 1.343 1.00 0.00 H new ATOM 274 N LYS A 18 -0.842 -13.552 -0.045 1.00 0.00 N ATOM 275 CA LYS A 18 -0.846 -13.375 -1.496 1.00 0.00 C ATOM 276 C LYS A 18 0.300 -14.166 -2.119 1.00 0.00 C ATOM 277 O LYS A 18 0.242 -14.565 -3.279 1.00 0.00 O ATOM 278 CB LYS A 18 -0.701 -11.897 -1.863 1.00 0.00 C ATOM 279 CG LYS A 18 -1.676 -10.972 -1.152 1.00 0.00 C ATOM 280 CD LYS A 18 -3.126 -11.229 -1.534 1.00 0.00 C ATOM 281 CE LYS A 18 -3.381 -10.971 -3.012 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.822 -10.730 -3.284 1.00 0.00 N ATOM 0 H LYS A 18 -0.555 -12.726 0.481 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.797 -13.741 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.316 -11.577 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.836 -11.788 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.563 -11.093 -0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.423 -9.938 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.386 -12.260 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.777 -10.590 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.799 -10.108 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.038 -11.825 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.974 -10.659 -4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.384 -11.519 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.118 -9.843 -2.828 1.00 0.00 H new ATOM 296 N LYS A 19 1.333 -14.398 -1.321 1.00 0.00 N ATOM 297 CA LYS A 19 2.519 -15.132 -1.754 1.00 0.00 C ATOM 298 C LYS A 19 2.165 -16.566 -2.138 1.00 0.00 C ATOM 299 O LYS A 19 2.934 -17.243 -2.815 1.00 0.00 O ATOM 300 CB LYS A 19 3.568 -15.118 -0.632 1.00 0.00 C ATOM 301 CG LYS A 19 4.892 -15.765 -0.996 1.00 0.00 C ATOM 302 CD LYS A 19 5.902 -15.613 0.126 1.00 0.00 C ATOM 303 CE LYS A 19 7.211 -16.304 -0.207 1.00 0.00 C ATOM 304 NZ LYS A 19 8.228 -16.107 0.854 1.00 0.00 N ATOM 0 H LYS A 19 1.374 -14.083 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 19 2.931 -14.644 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.752 -14.085 -0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.156 -15.629 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.737 -16.823 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.284 -15.311 -1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.085 -14.555 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.492 -16.031 1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.033 -17.370 -0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.594 -15.919 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.107 -16.595 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.417 -15.091 0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.874 -16.497 1.751 1.00 0.00 H new ATOM 318 N GLN A 20 0.992 -17.022 -1.715 1.00 0.00 N ATOM 319 CA GLN A 20 0.550 -18.376 -2.022 1.00 0.00 C ATOM 320 C GLN A 20 0.001 -18.457 -3.444 1.00 0.00 C ATOM 321 O GLN A 20 0.076 -19.504 -4.089 1.00 0.00 O ATOM 322 CB GLN A 20 -0.513 -18.830 -1.022 1.00 0.00 C ATOM 323 CG GLN A 20 -0.087 -18.675 0.431 1.00 0.00 C ATOM 324 CD GLN A 20 1.218 -19.383 0.744 1.00 0.00 C ATOM 325 OE1 GLN A 20 1.541 -20.417 0.155 1.00 0.00 O ATOM 326 NE2 GLN A 20 1.985 -18.820 1.665 1.00 0.00 N ATOM 0 H GLN A 20 0.332 -16.476 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 20 1.411 -19.040 -1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.425 -18.256 -1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.755 -19.876 -1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.016 -17.615 0.663 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.871 -19.068 1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.680 -17.964 2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.880 -19.242 1.911 1.00 0.00 H new ATOM 335 N VAL A 21 -0.536 -17.347 -3.937 1.00 0.00 N ATOM 336 CA VAL A 21 -1.138 -17.322 -5.266 1.00 0.00 C ATOM 337 C VAL A 21 -0.195 -16.700 -6.294 1.00 0.00 C ATOM 338 O VAL A 21 -0.457 -16.742 -7.501 1.00 0.00 O ATOM 339 CB VAL A 21 -2.484 -16.563 -5.275 1.00 0.00 C ATOM 340 CG1 VAL A 21 -3.503 -17.270 -4.395 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.305 -15.119 -4.829 1.00 0.00 C ATOM 0 H VAL A 21 -0.567 -16.457 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.325 -18.360 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.856 -16.555 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.444 -16.720 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.666 -18.281 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.131 -17.316 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.269 -14.611 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.901 -15.098 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.616 -14.612 -5.505 1.00 0.00 H new ATOM 351 N TRP A 22 0.899 -16.122 -5.819 1.00 0.00 N ATOM 352 CA TRP A 22 1.897 -15.536 -6.702 1.00 0.00 C ATOM 353 C TRP A 22 3.100 -16.462 -6.826 1.00 0.00 C ATOM 354 O TRP A 22 3.316 -17.334 -5.982 1.00 0.00 O ATOM 355 CB TRP A 22 2.378 -14.178 -6.176 1.00 0.00 C ATOM 356 CG TRP A 22 1.314 -13.125 -6.081 1.00 0.00 C ATOM 357 CD1 TRP A 22 0.112 -13.099 -6.729 1.00 0.00 C ATOM 358 CD2 TRP A 22 1.372 -11.927 -5.297 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.584 -11.967 -6.381 1.00 0.00 N ATOM 360 CE2 TRP A 22 0.170 -11.232 -5.505 1.00 0.00 C ATOM 361 CE3 TRP A 22 2.325 -11.381 -4.430 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.106 -10.017 -4.883 1.00 0.00 C ATOM 363 CZ3 TRP A 22 2.052 -10.173 -3.817 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.844 -9.505 -4.043 1.00 0.00 C ATOM 0 H TRP A 22 1.118 -16.046 -4.826 1.00 0.00 H new ATOM 0 HA TRP A 22 1.428 -15.396 -7.676 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.816 -14.322 -5.188 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.173 -13.813 -6.827 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.239 -13.857 -7.414 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.512 -11.715 -6.720 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.257 -11.894 -4.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.037 -9.498 -5.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.783 -9.737 -3.152 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.658 -8.566 -3.544 1.00 0.00 H new ATOM 375 N SER A 23 3.878 -16.272 -7.879 1.00 0.00 N ATOM 376 CA SER A 23 5.152 -16.952 -8.009 1.00 0.00 C ATOM 377 C SER A 23 6.168 -16.258 -7.112 1.00 0.00 C ATOM 378 O SER A 23 6.245 -15.032 -7.099 1.00 0.00 O ATOM 379 CB SER A 23 5.609 -16.949 -9.470 1.00 0.00 C ATOM 380 OG SER A 23 5.410 -15.675 -10.063 1.00 0.00 O ATOM 0 H SER A 23 3.648 -15.652 -8.655 1.00 0.00 H new ATOM 0 HA SER A 23 5.054 -17.993 -7.700 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.664 -17.219 -9.525 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.057 -17.704 -10.029 1.00 0.00 H new ATOM 0 HG SER A 23 5.711 -15.698 -10.995 1.00 0.00 H new ATOM 386 N VAL A 24 6.928 -17.039 -6.356 1.00 0.00 N ATOM 387 CA VAL A 24 7.813 -16.499 -5.326 1.00 0.00 C ATOM 388 C VAL A 24 8.800 -15.476 -5.892 1.00 0.00 C ATOM 389 O VAL A 24 9.080 -14.458 -5.254 1.00 0.00 O ATOM 390 CB VAL A 24 8.578 -17.626 -4.607 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.422 -17.074 -3.467 1.00 0.00 C ATOM 392 CG2 VAL A 24 7.598 -18.667 -4.094 1.00 0.00 C ATOM 0 H VAL A 24 6.951 -18.056 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 24 7.177 -15.986 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 24 9.254 -18.097 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.951 -17.891 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.144 -16.359 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.776 -16.575 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.144 -19.462 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.904 -18.200 -3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.042 -19.087 -4.932 1.00 0.00 H new ATOM 402 N GLY A 25 9.306 -15.735 -7.089 1.00 0.00 N ATOM 403 CA GLY A 25 10.202 -14.794 -7.734 1.00 0.00 C ATOM 404 C GLY A 25 9.555 -13.435 -7.914 1.00 0.00 C ATOM 405 O GLY A 25 10.108 -12.411 -7.501 1.00 0.00 O ATOM 0 H GLY A 25 9.113 -16.580 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.109 -14.689 -7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.502 -15.185 -8.706 1.00 0.00 H new ATOM 409 N TYR A 26 8.367 -13.436 -8.506 1.00 0.00 N ATOM 410 CA TYR A 26 7.604 -12.214 -8.719 1.00 0.00 C ATOM 411 C TYR A 26 7.147 -11.620 -7.390 1.00 0.00 C ATOM 412 O TYR A 26 7.188 -10.404 -7.198 1.00 0.00 O ATOM 413 CB TYR A 26 6.391 -12.499 -9.614 1.00 0.00 C ATOM 414 CG TYR A 26 5.460 -11.317 -9.787 1.00 0.00 C ATOM 415 CD1 TYR A 26 5.724 -10.331 -10.728 1.00 0.00 C ATOM 416 CD2 TYR A 26 4.319 -11.185 -9.002 1.00 0.00 C ATOM 417 CE1 TYR A 26 4.878 -9.250 -10.885 1.00 0.00 C ATOM 418 CE2 TYR A 26 3.470 -10.106 -9.153 1.00 0.00 C ATOM 419 CZ TYR A 26 3.754 -9.140 -10.094 1.00 0.00 C ATOM 420 OH TYR A 26 2.911 -8.062 -10.249 1.00 0.00 O ATOM 0 H TYR A 26 7.908 -14.279 -8.850 1.00 0.00 H new ATOM 0 HA TYR A 26 8.250 -11.489 -9.214 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.743 -12.817 -10.595 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.829 -13.332 -9.192 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.605 -10.410 -11.347 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.093 -11.939 -8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.096 -8.494 -11.625 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.588 -10.020 -8.536 1.00 0.00 H new ATOM 0 HH TYR A 26 2.166 -8.136 -9.616 1.00 0.00 H new ATOM 430 N ALA A 27 6.720 -12.487 -6.475 1.00 0.00 N ATOM 431 CA ALA A 27 6.237 -12.054 -5.171 1.00 0.00 C ATOM 432 C ALA A 27 7.302 -11.257 -4.432 1.00 0.00 C ATOM 433 O ALA A 27 7.000 -10.258 -3.786 1.00 0.00 O ATOM 434 CB ALA A 27 5.799 -13.252 -4.343 1.00 0.00 C ATOM 0 H ALA A 27 6.700 -13.497 -6.616 1.00 0.00 H new ATOM 0 HA ALA A 27 5.376 -11.404 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.441 -12.911 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.998 -13.779 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.644 -13.926 -4.202 1.00 0.00 H new ATOM 440 N THR A 28 8.549 -11.689 -4.548 1.00 0.00 N ATOM 441 CA THR A 28 9.648 -11.010 -3.884 1.00 0.00 C ATOM 442 C THR A 28 9.954 -9.674 -4.566 1.00 0.00 C ATOM 443 O THR A 28 10.266 -8.687 -3.899 1.00 0.00 O ATOM 444 CB THR A 28 10.913 -11.887 -3.859 1.00 0.00 C ATOM 445 OG1 THR A 28 10.571 -13.221 -3.455 1.00 0.00 O ATOM 446 CG2 THR A 28 11.944 -11.319 -2.895 1.00 0.00 C ATOM 0 H THR A 28 8.823 -12.505 -5.095 1.00 0.00 H new ATOM 0 HA THR A 28 9.341 -10.819 -2.856 1.00 0.00 H new ATOM 0 HB THR A 28 11.340 -11.902 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.339 -13.753 -4.245 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.830 -11.955 -2.893 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.220 -10.313 -3.209 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.522 -11.282 -1.891 1.00 0.00 H new ATOM 454 N GLU A 29 9.843 -9.640 -5.895 1.00 0.00 N ATOM 455 CA GLU A 29 10.045 -8.400 -6.644 1.00 0.00 C ATOM 456 C GLU A 29 8.983 -7.376 -6.257 1.00 0.00 C ATOM 457 O GLU A 29 9.289 -6.206 -6.012 1.00 0.00 O ATOM 458 CB GLU A 29 9.986 -8.653 -8.155 1.00 0.00 C ATOM 459 CG GLU A 29 11.115 -9.517 -8.690 1.00 0.00 C ATOM 460 CD GLU A 29 12.486 -8.903 -8.480 1.00 0.00 C ATOM 461 OE1 GLU A 29 12.718 -7.765 -8.941 1.00 0.00 O ATOM 462 OE2 GLU A 29 13.343 -9.563 -7.860 1.00 0.00 O ATOM 0 H GLU A 29 9.616 -10.451 -6.471 1.00 0.00 H new ATOM 0 HA GLU A 29 11.033 -8.013 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.035 -9.129 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.002 -7.694 -8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.081 -10.491 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.960 -9.688 -9.755 1.00 0.00 H new ATOM 469 N LEU A 30 7.735 -7.830 -6.200 1.00 0.00 N ATOM 470 CA LEU A 30 6.618 -6.975 -5.821 1.00 0.00 C ATOM 471 C LEU A 30 6.784 -6.507 -4.384 1.00 0.00 C ATOM 472 O LEU A 30 6.643 -5.319 -4.087 1.00 0.00 O ATOM 473 CB LEU A 30 5.285 -7.727 -6.001 1.00 0.00 C ATOM 474 CG LEU A 30 4.003 -6.921 -5.721 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.828 -7.538 -6.458 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.695 -6.870 -4.229 1.00 0.00 C ATOM 0 H LEU A 30 7.472 -8.792 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 30 6.606 -6.099 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.238 -8.100 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.292 -8.597 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 30 4.166 -5.903 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.926 -6.961 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.027 -7.532 -7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.686 -8.565 -6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.784 -6.294 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.557 -7.883 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.524 -6.396 -3.702 1.00 0.00 H new ATOM 488 N ALA A 31 7.094 -7.450 -3.499 1.00 0.00 N ATOM 489 CA ALA A 31 7.251 -7.151 -2.085 1.00 0.00 C ATOM 490 C ALA A 31 8.328 -6.105 -1.860 1.00 0.00 C ATOM 491 O ALA A 31 8.133 -5.169 -1.092 1.00 0.00 O ATOM 492 CB ALA A 31 7.572 -8.413 -1.300 1.00 0.00 C ATOM 0 H ALA A 31 7.241 -8.430 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 31 6.304 -6.747 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.685 -8.166 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.761 -9.132 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.500 -8.847 -1.673 1.00 0.00 H new ATOM 498 N LYS A 32 9.460 -6.246 -2.542 1.00 0.00 N ATOM 499 CA LYS A 32 10.549 -5.306 -2.350 1.00 0.00 C ATOM 500 C LYS A 32 10.173 -3.923 -2.863 1.00 0.00 C ATOM 501 O LYS A 32 10.476 -2.932 -2.217 1.00 0.00 O ATOM 502 CB LYS A 32 11.849 -5.770 -3.008 1.00 0.00 C ATOM 503 CG LYS A 32 13.021 -4.882 -2.620 1.00 0.00 C ATOM 504 CD LYS A 32 14.341 -5.351 -3.201 1.00 0.00 C ATOM 505 CE LYS A 32 15.485 -4.499 -2.674 1.00 0.00 C ATOM 506 NZ LYS A 32 16.806 -4.921 -3.207 1.00 0.00 N ATOM 0 H LYS A 32 9.642 -6.987 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 32 10.725 -5.255 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.059 -6.799 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.731 -5.765 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.824 -3.864 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.100 -4.849 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.509 -6.396 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.308 -5.294 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.308 -3.456 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.502 -4.554 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.550 -4.308 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.991 -5.907 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.803 -4.844 -4.244 1.00 0.00 H new ATOM 520 N MET A 33 9.506 -3.851 -4.015 1.00 0.00 N ATOM 521 CA MET A 33 9.068 -2.558 -4.546 1.00 0.00 C ATOM 522 C MET A 33 8.132 -1.887 -3.553 1.00 0.00 C ATOM 523 O MET A 33 8.271 -0.703 -3.244 1.00 0.00 O ATOM 524 CB MET A 33 8.340 -2.716 -5.882 1.00 0.00 C ATOM 525 CG MET A 33 8.059 -1.386 -6.566 1.00 0.00 C ATOM 526 SD MET A 33 6.642 -1.451 -7.681 1.00 0.00 S ATOM 527 CE MET A 33 5.303 -1.627 -6.500 1.00 0.00 C ATOM 0 H MET A 33 9.260 -4.656 -4.590 1.00 0.00 H new ATOM 0 HA MET A 33 9.957 -1.947 -4.705 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.940 -3.340 -6.545 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.398 -3.240 -5.717 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.882 -0.624 -5.807 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.942 -1.079 -7.127 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.380 -1.248 -6.938 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.178 -2.679 -6.245 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.536 -1.061 -5.598 1.00 0.00 H new ATOM 537 N PHE A 34 7.180 -2.669 -3.060 1.00 0.00 N ATOM 538 CA PHE A 34 6.235 -2.207 -2.061 1.00 0.00 C ATOM 539 C PHE A 34 6.997 -1.725 -0.835 1.00 0.00 C ATOM 540 O PHE A 34 6.934 -0.560 -0.481 1.00 0.00 O ATOM 541 CB PHE A 34 5.280 -3.350 -1.694 1.00 0.00 C ATOM 542 CG PHE A 34 4.015 -2.911 -1.009 1.00 0.00 C ATOM 543 CD1 PHE A 34 2.912 -2.523 -1.752 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.924 -2.902 0.373 1.00 0.00 C ATOM 545 CE1 PHE A 34 1.742 -2.133 -1.129 1.00 0.00 C ATOM 546 CE2 PHE A 34 2.756 -2.515 1.002 1.00 0.00 C ATOM 547 CZ PHE A 34 1.664 -2.128 0.250 1.00 0.00 C ATOM 0 H PHE A 34 7.044 -3.639 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 34 5.647 -1.378 -2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.017 -3.892 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.805 -4.051 -1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.967 -2.525 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.776 -3.201 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.889 -1.832 -1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.697 -2.515 2.080 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.751 -1.822 0.739 1.00 0.00 H new ATOM 557 N ASP A 35 7.760 -2.626 -0.234 1.00 0.00 N ATOM 558 CA ASP A 35 8.533 -2.329 0.971 1.00 0.00 C ATOM 559 C ASP A 35 9.442 -1.110 0.779 1.00 0.00 C ATOM 560 O ASP A 35 9.465 -0.206 1.612 1.00 0.00 O ATOM 561 CB ASP A 35 9.373 -3.555 1.349 1.00 0.00 C ATOM 562 CG ASP A 35 10.175 -3.365 2.618 1.00 0.00 C ATOM 563 OD1 ASP A 35 11.288 -2.804 2.549 1.00 0.00 O ATOM 564 OD2 ASP A 35 9.713 -3.815 3.688 1.00 0.00 O ATOM 0 H ASP A 35 7.863 -3.585 -0.565 1.00 0.00 H new ATOM 0 HA ASP A 35 7.834 -2.092 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.714 -4.415 1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.053 -3.787 0.529 1.00 0.00 H new ATOM 569 N ASP A 36 10.155 -1.077 -0.340 1.00 0.00 N ATOM 570 CA ASP A 36 11.166 -0.049 -0.602 1.00 0.00 C ATOM 571 C ASP A 36 10.562 1.354 -0.686 1.00 0.00 C ATOM 572 O ASP A 36 11.214 2.338 -0.334 1.00 0.00 O ATOM 573 CB ASP A 36 11.914 -0.367 -1.899 1.00 0.00 C ATOM 574 CG ASP A 36 13.129 0.511 -2.109 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.117 0.350 -1.362 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.108 1.357 -3.028 1.00 0.00 O ATOM 0 H ASP A 36 10.052 -1.758 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 36 11.859 -0.058 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.225 -1.412 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.235 -0.247 -2.743 1.00 0.00 H new ATOM 581 N ASP A 37 9.325 1.453 -1.159 1.00 0.00 N ATOM 582 CA ASP A 37 8.655 2.748 -1.262 1.00 0.00 C ATOM 583 C ASP A 37 7.701 2.987 -0.097 1.00 0.00 C ATOM 584 O ASP A 37 7.625 4.091 0.436 1.00 0.00 O ATOM 585 CB ASP A 37 7.902 2.876 -2.589 1.00 0.00 C ATOM 586 CG ASP A 37 8.794 3.359 -3.716 1.00 0.00 C ATOM 587 OD1 ASP A 37 9.220 4.530 -3.671 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.076 2.581 -4.651 1.00 0.00 O ATOM 0 H ASP A 37 8.767 0.660 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 37 9.433 3.510 -1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.475 1.909 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.070 3.569 -2.466 1.00 0.00 H new ATOM 593 N ILE A 38 6.990 1.944 0.304 1.00 0.00 N ATOM 594 CA ILE A 38 5.993 2.039 1.365 1.00 0.00 C ATOM 595 C ILE A 38 6.634 2.331 2.721 1.00 0.00 C ATOM 596 O ILE A 38 6.169 3.197 3.462 1.00 0.00 O ATOM 597 CB ILE A 38 5.176 0.727 1.462 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.300 0.541 0.219 1.00 0.00 C ATOM 599 CG2 ILE A 38 4.325 0.690 2.721 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.172 1.536 0.108 1.00 0.00 C ATOM 0 H ILE A 38 7.086 1.010 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 38 5.332 2.867 1.109 1.00 0.00 H new ATOM 0 HB ILE A 38 5.886 -0.098 1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.927 0.618 -0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.883 -0.466 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.766 -0.245 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.969 0.760 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.629 1.529 2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.599 1.337 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.520 1.445 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.580 2.546 0.065 1.00 0.00 H new ATOM 612 N LEU A 39 7.714 1.625 3.028 1.00 0.00 N ATOM 613 CA LEU A 39 8.315 1.679 4.361 1.00 0.00 C ATOM 614 C LEU A 39 8.798 3.081 4.756 1.00 0.00 C ATOM 615 O LEU A 39 8.426 3.570 5.822 1.00 0.00 O ATOM 616 CB LEU A 39 9.436 0.644 4.504 1.00 0.00 C ATOM 617 CG LEU A 39 8.992 -0.743 5.003 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.774 -0.728 6.507 1.00 0.00 C ATOM 619 CD2 LEU A 39 7.715 -1.194 4.302 1.00 0.00 C ATOM 0 H LEU A 39 8.195 1.007 2.374 1.00 0.00 H new ATOM 0 HA LEU A 39 7.520 1.427 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.923 0.525 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.185 1.037 5.192 1.00 0.00 H new ATOM 0 HG LEU A 39 9.788 -1.450 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.461 -1.718 6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.703 -0.455 7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.001 -0.000 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.424 -2.177 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.917 -0.479 4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.890 -1.249 3.228 1.00 0.00 H new ATOM 631 N PRO A 40 9.611 3.767 3.924 1.00 0.00 N ATOM 632 CA PRO A 40 10.110 5.111 4.257 1.00 0.00 C ATOM 633 C PRO A 40 9.012 6.178 4.260 1.00 0.00 C ATOM 634 O PRO A 40 9.267 7.338 4.585 1.00 0.00 O ATOM 635 CB PRO A 40 11.130 5.401 3.156 1.00 0.00 C ATOM 636 CG PRO A 40 10.707 4.545 2.015 1.00 0.00 C ATOM 637 CD PRO A 40 10.135 3.300 2.627 1.00 0.00 C ATOM 0 HA PRO A 40 10.525 5.139 5.265 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.128 6.456 2.882 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.142 5.158 3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.966 5.054 1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.552 4.310 1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.348 2.872 2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.895 2.529 2.755 1.00 0.00 H new ATOM 645 N ILE A 41 7.796 5.787 3.899 1.00 0.00 N ATOM 646 CA ILE A 41 6.677 6.721 3.872 1.00 0.00 C ATOM 647 C ILE A 41 5.664 6.410 4.977 1.00 0.00 C ATOM 648 O ILE A 41 5.353 7.273 5.803 1.00 0.00 O ATOM 649 CB ILE A 41 5.950 6.704 2.507 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.931 6.946 1.350 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.846 7.751 2.489 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.583 8.313 1.356 1.00 0.00 C ATOM 0 H ILE A 41 7.560 4.834 3.622 1.00 0.00 H new ATOM 0 HA ILE A 41 7.099 7.712 4.037 1.00 0.00 H new ATOM 0 HB ILE A 41 5.508 5.717 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.711 6.185 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.401 6.814 0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.341 7.730 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.127 7.535 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.278 8.738 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.259 8.397 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.815 9.083 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.145 8.444 2.281 1.00 0.00 H new ATOM 664 N ILE A 42 5.152 5.180 5.001 1.00 0.00 N ATOM 665 CA ILE A 42 4.078 4.814 5.931 1.00 0.00 C ATOM 666 C ILE A 42 4.306 3.458 6.596 1.00 0.00 C ATOM 667 O ILE A 42 3.448 2.987 7.345 1.00 0.00 O ATOM 668 CB ILE A 42 2.713 4.736 5.218 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.788 3.738 4.064 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.269 6.100 4.719 1.00 0.00 C ATOM 671 CD1 ILE A 42 1.479 3.044 3.788 1.00 0.00 C ATOM 0 H ILE A 42 5.460 4.422 4.392 1.00 0.00 H new ATOM 0 HA ILE A 42 4.082 5.601 6.686 1.00 0.00 H new ATOM 0 HB ILE A 42 1.969 4.394 5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.112 4.259 3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.547 2.989 4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.303 6.009 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.179 6.785 5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.005 6.487 4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.603 2.350 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.164 2.495 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.722 3.785 3.532 1.00 0.00 H new ATOM 683 N GLY A 43 5.446 2.832 6.334 1.00 0.00 N ATOM 684 CA GLY A 43 5.671 1.476 6.812 1.00 0.00 C ATOM 685 C GLY A 43 5.599 1.354 8.315 1.00 0.00 C ATOM 686 O GLY A 43 5.030 0.396 8.843 1.00 0.00 O ATOM 0 H GLY A 43 6.218 3.234 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.931 0.813 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.650 1.136 6.473 1.00 0.00 H new ATOM 690 N GLY A 44 6.158 2.333 9.008 1.00 0.00 N ATOM 691 CA GLY A 44 6.185 2.291 10.448 1.00 0.00 C ATOM 692 C GLY A 44 4.988 2.976 11.065 1.00 0.00 C ATOM 693 O GLY A 44 4.966 3.228 12.271 1.00 0.00 O ATOM 0 H GLY A 44 6.594 3.157 8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.217 1.253 10.778 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.098 2.767 10.806 1.00 0.00 H new ATOM 697 N LEU A 45 3.988 3.286 10.250 1.00 0.00 N ATOM 698 CA LEU A 45 2.796 3.941 10.751 1.00 0.00 C ATOM 699 C LEU A 45 1.710 2.915 11.022 1.00 0.00 C ATOM 700 O LEU A 45 1.682 1.847 10.404 1.00 0.00 O ATOM 701 CB LEU A 45 2.292 4.982 9.750 1.00 0.00 C ATOM 702 CG LEU A 45 3.307 6.063 9.373 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.707 7.022 8.356 1.00 0.00 C ATOM 704 CD2 LEU A 45 3.774 6.820 10.607 1.00 0.00 C ATOM 0 H LEU A 45 3.982 3.095 9.248 1.00 0.00 H new ATOM 0 HA LEU A 45 3.048 4.448 11.682 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.978 4.468 8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.407 5.465 10.166 1.00 0.00 H new ATOM 0 HG LEU A 45 4.173 5.577 8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.441 7.785 8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.425 6.471 7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.824 7.498 8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.495 7.583 10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.919 7.294 11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.243 6.126 11.304 1.00 0.00 H new ATOM 716 N GLU A 46 0.830 3.231 11.959 1.00 0.00 N ATOM 717 CA GLU A 46 -0.322 2.387 12.230 1.00 0.00 C ATOM 718 C GLU A 46 -1.268 2.456 11.044 1.00 0.00 C ATOM 719 O GLU A 46 -1.508 3.536 10.511 1.00 0.00 O ATOM 720 CB GLU A 46 -1.051 2.838 13.498 1.00 0.00 C ATOM 721 CG GLU A 46 -0.204 2.786 14.758 1.00 0.00 C ATOM 722 CD GLU A 46 -0.977 3.218 15.986 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.677 2.369 16.580 1.00 0.00 O ATOM 724 OE2 GLU A 46 -0.887 4.403 16.368 1.00 0.00 O ATOM 0 H GLU A 46 0.892 4.065 12.544 1.00 0.00 H new ATOM 0 HA GLU A 46 0.019 1.363 12.384 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.407 3.858 13.355 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.931 2.211 13.640 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.167 1.771 14.903 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.667 3.429 14.635 1.00 0.00 H new ATOM 731 N ILE A 47 -1.808 1.319 10.638 1.00 0.00 N ATOM 732 CA ILE A 47 -2.685 1.268 9.471 1.00 0.00 C ATOM 733 C ILE A 47 -3.939 2.124 9.694 1.00 0.00 C ATOM 734 O ILE A 47 -4.593 2.560 8.750 1.00 0.00 O ATOM 735 CB ILE A 47 -3.076 -0.190 9.136 1.00 0.00 C ATOM 736 CG1 ILE A 47 -3.735 -0.264 7.757 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.003 -0.759 10.204 1.00 0.00 C ATOM 738 CD1 ILE A 47 -3.951 -1.676 7.260 1.00 0.00 C ATOM 0 H ILE A 47 -1.658 0.419 11.095 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.137 1.677 8.622 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.168 -0.792 9.117 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.696 0.249 7.796 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.116 0.273 7.039 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.266 -1.786 9.948 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.498 -0.743 11.170 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.909 -0.156 10.258 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.422 -1.648 6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.991 -2.187 7.188 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.596 -2.212 7.956 1.00 0.00 H new ATOM 750 N GLN A 48 -4.244 2.377 10.960 1.00 0.00 N ATOM 751 CA GLN A 48 -5.382 3.201 11.337 1.00 0.00 C ATOM 752 C GLN A 48 -4.997 4.681 11.367 1.00 0.00 C ATOM 753 O GLN A 48 -5.852 5.559 11.261 1.00 0.00 O ATOM 754 CB GLN A 48 -5.864 2.788 12.729 1.00 0.00 C ATOM 755 CG GLN A 48 -6.280 1.330 12.844 1.00 0.00 C ATOM 756 CD GLN A 48 -6.114 0.797 14.254 1.00 0.00 C ATOM 757 OE1 GLN A 48 -5.212 1.212 14.984 1.00 0.00 O ATOM 758 NE2 GLN A 48 -6.980 -0.115 14.655 1.00 0.00 N ATOM 0 H GLN A 48 -3.710 2.017 11.751 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.172 3.057 10.600 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.069 2.984 13.448 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.709 3.417 13.009 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.321 1.226 12.538 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.684 0.729 12.157 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.714 -0.435 14.023 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.915 -0.500 15.597 1.00 0.00 H new ATOM 767 N ASP A 49 -3.703 4.943 11.483 1.00 0.00 N ATOM 768 CA ASP A 49 -3.212 6.277 11.816 1.00 0.00 C ATOM 769 C ASP A 49 -2.440 6.887 10.646 1.00 0.00 C ATOM 770 O ASP A 49 -1.628 7.798 10.821 1.00 0.00 O ATOM 771 CB ASP A 49 -2.324 6.175 13.063 1.00 0.00 C ATOM 772 CG ASP A 49 -2.083 7.506 13.746 1.00 0.00 C ATOM 773 OD1 ASP A 49 -3.061 8.118 14.225 1.00 0.00 O ATOM 774 OD2 ASP A 49 -0.914 7.936 13.830 1.00 0.00 O ATOM 0 H ASP A 49 -2.969 4.247 11.351 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.057 6.934 12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.787 5.490 13.773 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.364 5.742 12.781 1.00 0.00 H new ATOM 779 N ILE A 50 -2.706 6.390 9.447 1.00 0.00 N ATOM 780 CA ILE A 50 -2.041 6.889 8.252 1.00 0.00 C ATOM 781 C ILE A 50 -2.809 8.059 7.646 1.00 0.00 C ATOM 782 O ILE A 50 -4.015 7.974 7.414 1.00 0.00 O ATOM 783 CB ILE A 50 -1.860 5.776 7.196 1.00 0.00 C ATOM 784 CG1 ILE A 50 -0.927 4.695 7.740 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.315 6.345 5.890 1.00 0.00 C ATOM 786 CD1 ILE A 50 -0.763 3.507 6.823 1.00 0.00 C ATOM 0 H ILE A 50 -3.378 5.642 9.276 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.053 7.236 8.557 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.834 5.334 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.053 5.135 7.926 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.309 4.349 8.701 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.197 5.541 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.010 7.088 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.348 6.814 6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.086 2.785 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.733 3.040 6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.351 3.837 5.870 1.00 0.00 H new ATOM 798 N GLU A 51 -2.093 9.150 7.406 1.00 0.00 N ATOM 799 CA GLU A 51 -2.676 10.350 6.821 1.00 0.00 C ATOM 800 C GLU A 51 -3.097 10.095 5.370 1.00 0.00 C ATOM 801 O GLU A 51 -2.432 9.348 4.649 1.00 0.00 O ATOM 802 CB GLU A 51 -1.658 11.494 6.857 1.00 0.00 C ATOM 803 CG GLU A 51 -1.105 11.795 8.241 1.00 0.00 C ATOM 804 CD GLU A 51 -2.143 12.400 9.164 1.00 0.00 C ATOM 805 OE1 GLU A 51 -2.803 13.380 8.756 1.00 0.00 O ATOM 806 OE2 GLU A 51 -2.290 11.919 10.305 1.00 0.00 O ATOM 0 H GLU A 51 -1.097 9.228 7.610 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.557 10.621 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.829 11.249 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.127 12.395 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.723 10.875 8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.262 12.480 8.150 1.00 0.00 H new ATOM 813 N PRO A 52 -4.200 10.713 4.919 1.00 0.00 N ATOM 814 CA PRO A 52 -4.657 10.598 3.529 1.00 0.00 C ATOM 815 C PRO A 52 -3.587 11.043 2.533 1.00 0.00 C ATOM 816 O PRO A 52 -3.323 10.362 1.541 1.00 0.00 O ATOM 817 CB PRO A 52 -5.865 11.533 3.465 1.00 0.00 C ATOM 818 CG PRO A 52 -6.332 11.658 4.874 1.00 0.00 C ATOM 819 CD PRO A 52 -5.100 11.551 5.728 1.00 0.00 C ATOM 0 HA PRO A 52 -4.890 9.567 3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.591 12.504 3.053 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.647 11.124 2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.837 12.610 5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.047 10.873 5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.665 12.530 5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.318 11.093 6.693 1.00 0.00 H new ATOM 827 N MET A 53 -2.949 12.175 2.816 1.00 0.00 N ATOM 828 CA MET A 53 -1.899 12.696 1.947 1.00 0.00 C ATOM 829 C MET A 53 -0.594 11.946 2.171 1.00 0.00 C ATOM 830 O MET A 53 0.372 12.123 1.432 1.00 0.00 O ATOM 831 CB MET A 53 -1.688 14.193 2.180 1.00 0.00 C ATOM 832 CG MET A 53 -2.878 15.047 1.777 1.00 0.00 C ATOM 833 SD MET A 53 -2.620 16.803 2.100 1.00 0.00 S ATOM 834 CE MET A 53 -1.150 17.121 1.126 1.00 0.00 C ATOM 0 H MET A 53 -3.140 12.748 3.638 1.00 0.00 H new ATOM 0 HA MET A 53 -2.217 12.548 0.915 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.472 14.361 3.235 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.812 14.519 1.620 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.080 14.903 0.715 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.762 14.709 2.318 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.077 18.188 0.916 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.269 16.799 1.681 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.209 16.569 0.188 1.00 0.00 H new ATOM 844 N GLN A 54 -0.572 11.103 3.192 1.00 0.00 N ATOM 845 CA GLN A 54 0.591 10.276 3.473 1.00 0.00 C ATOM 846 C GLN A 54 0.557 9.056 2.564 1.00 0.00 C ATOM 847 O GLN A 54 1.574 8.642 2.002 1.00 0.00 O ATOM 848 CB GLN A 54 0.597 9.854 4.942 1.00 0.00 C ATOM 849 CG GLN A 54 1.970 9.512 5.483 1.00 0.00 C ATOM 850 CD GLN A 54 2.949 10.658 5.340 1.00 0.00 C ATOM 851 OE1 GLN A 54 2.563 11.829 5.326 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.222 10.332 5.246 1.00 0.00 N ATOM 0 H GLN A 54 -1.348 10.974 3.841 1.00 0.00 H new ATOM 0 HA GLN A 54 1.502 10.843 3.283 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.172 10.659 5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.055 8.989 5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.885 9.239 6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.357 8.639 4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.500 9.351 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.930 11.061 5.158 1.00 0.00 H new ATOM 861 N LEU A 55 -0.633 8.498 2.406 1.00 0.00 N ATOM 862 CA LEU A 55 -0.846 7.427 1.449 1.00 0.00 C ATOM 863 C LEU A 55 -0.636 7.971 0.038 1.00 0.00 C ATOM 864 O LEU A 55 -0.077 7.298 -0.831 1.00 0.00 O ATOM 865 CB LEU A 55 -2.256 6.853 1.604 1.00 0.00 C ATOM 866 CG LEU A 55 -2.526 5.565 0.825 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.590 4.457 1.284 1.00 0.00 C ATOM 868 CD2 LEU A 55 -3.976 5.142 0.992 1.00 0.00 C ATOM 0 H LEU A 55 -1.465 8.770 2.929 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.133 6.623 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.439 6.664 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.975 7.608 1.286 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.340 5.754 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.797 3.548 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.557 4.761 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.745 4.267 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.154 4.224 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.185 4.970 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.630 5.929 0.616 1.00 0.00 H new ATOM 880 N LEU A 56 -1.071 9.212 -0.171 1.00 0.00 N ATOM 881 CA LEU A 56 -0.813 9.914 -1.420 1.00 0.00 C ATOM 882 C LEU A 56 0.686 10.117 -1.601 1.00 0.00 C ATOM 883 O LEU A 56 1.190 10.055 -2.711 1.00 0.00 O ATOM 884 CB LEU A 56 -1.572 11.259 -1.446 1.00 0.00 C ATOM 885 CG LEU A 56 -1.401 12.146 -2.699 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.212 13.080 -2.550 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.252 11.307 -3.964 1.00 0.00 C ATOM 0 H LEU A 56 -1.604 9.750 0.512 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.177 9.312 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.635 11.049 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.260 11.839 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.306 12.746 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.116 13.692 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.362 13.725 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.696 12.494 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.134 11.965 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.375 10.666 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.140 10.690 -4.098 1.00 0.00 H new ATOM 899 N GLU A 57 1.397 10.335 -0.504 1.00 0.00 N ATOM 900 CA GLU A 57 2.836 10.537 -0.562 1.00 0.00 C ATOM 901 C GLU A 57 3.521 9.315 -1.169 1.00 0.00 C ATOM 902 O GLU A 57 4.492 9.448 -1.910 1.00 0.00 O ATOM 903 CB GLU A 57 3.389 10.838 0.832 1.00 0.00 C ATOM 904 CG GLU A 57 4.843 11.269 0.829 1.00 0.00 C ATOM 905 CD GLU A 57 5.287 11.830 2.161 1.00 0.00 C ATOM 906 OE1 GLU A 57 4.919 12.982 2.472 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.015 11.135 2.891 1.00 0.00 O ATOM 0 H GLU A 57 1.001 10.376 0.435 1.00 0.00 H new ATOM 0 HA GLU A 57 3.043 11.395 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.787 11.623 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.283 9.950 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.470 10.416 0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.993 12.021 0.054 1.00 0.00 H new ATOM 914 N VAL A 58 2.997 8.130 -0.860 1.00 0.00 N ATOM 915 CA VAL A 58 3.478 6.895 -1.488 1.00 0.00 C ATOM 916 C VAL A 58 3.243 6.921 -2.998 1.00 0.00 C ATOM 917 O VAL A 58 4.176 6.790 -3.789 1.00 0.00 O ATOM 918 CB VAL A 58 2.775 5.646 -0.921 1.00 0.00 C ATOM 919 CG1 VAL A 58 3.250 4.397 -1.648 1.00 0.00 C ATOM 920 CG2 VAL A 58 3.013 5.515 0.574 1.00 0.00 C ATOM 0 H VAL A 58 2.245 7.996 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 58 4.544 6.840 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 58 1.703 5.758 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.745 3.523 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.019 4.484 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.327 4.288 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.505 4.625 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.083 5.430 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.622 6.396 1.083 1.00 0.00 H new ATOM 930 N ILE A 59 1.986 7.083 -3.389 1.00 0.00 N ATOM 931 CA ILE A 59 1.615 7.109 -4.802 1.00 0.00 C ATOM 932 C ILE A 59 2.362 8.226 -5.538 1.00 0.00 C ATOM 933 O ILE A 59 2.910 8.017 -6.621 1.00 0.00 O ATOM 934 CB ILE A 59 0.079 7.267 -4.970 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.622 5.902 -4.933 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.275 8.005 -6.254 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.565 5.211 -3.587 1.00 0.00 C ATOM 0 H ILE A 59 1.202 7.199 -2.747 1.00 0.00 H new ATOM 0 HA ILE A 59 1.905 6.156 -5.246 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.275 7.865 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.666 6.035 -5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.168 5.253 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.358 8.095 -6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.172 8.999 -6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.108 7.450 -7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.083 4.254 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.475 5.043 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.046 5.837 -2.836 1.00 0.00 H new ATOM 949 N ARG A 60 2.414 9.394 -4.914 1.00 0.00 N ATOM 950 CA ARG A 60 3.119 10.548 -5.458 1.00 0.00 C ATOM 951 C ARG A 60 4.608 10.245 -5.600 1.00 0.00 C ATOM 952 O ARG A 60 5.269 10.738 -6.511 1.00 0.00 O ATOM 953 CB ARG A 60 2.915 11.746 -4.534 1.00 0.00 C ATOM 954 CG ARG A 60 3.508 13.046 -5.042 1.00 0.00 C ATOM 955 CD ARG A 60 3.619 14.058 -3.916 1.00 0.00 C ATOM 956 NE ARG A 60 4.491 13.568 -2.851 1.00 0.00 N ATOM 957 CZ ARG A 60 4.989 14.326 -1.873 1.00 0.00 C ATOM 958 NH1 ARG A 60 4.641 15.601 -1.764 1.00 0.00 N ATOM 959 NH2 ARG A 60 5.842 13.802 -1.005 1.00 0.00 N ATOM 0 H ARG A 60 1.968 9.570 -4.014 1.00 0.00 H new ATOM 0 HA ARG A 60 2.719 10.777 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.846 11.888 -4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.354 11.517 -3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.493 12.860 -5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.885 13.449 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.009 14.998 -4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.628 14.267 -3.512 1.00 0.00 H new ATOM 0 HE ARG A 60 4.736 12.578 -2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.987 16.010 -2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.027 16.173 -1.013 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.115 12.823 -1.086 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.225 14.378 -0.256 1.00 0.00 H new ATOM 973 N ARG A 61 5.122 9.427 -4.687 1.00 0.00 N ATOM 974 CA ARG A 61 6.513 8.992 -4.726 1.00 0.00 C ATOM 975 C ARG A 61 6.785 8.204 -6.008 1.00 0.00 C ATOM 976 O ARG A 61 7.868 8.297 -6.588 1.00 0.00 O ATOM 977 CB ARG A 61 6.832 8.140 -3.491 1.00 0.00 C ATOM 978 CG ARG A 61 8.250 7.602 -3.453 1.00 0.00 C ATOM 979 CD ARG A 61 9.278 8.719 -3.444 1.00 0.00 C ATOM 980 NE ARG A 61 10.640 8.194 -3.472 1.00 0.00 N ATOM 981 CZ ARG A 61 11.516 8.439 -4.448 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.202 9.264 -5.442 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.717 7.876 -4.421 1.00 0.00 N ATOM 0 H ARG A 61 4.589 9.049 -3.904 1.00 0.00 H new ATOM 0 HA ARG A 61 7.159 9.870 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.659 8.738 -2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.137 7.302 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.380 6.982 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.418 6.960 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.119 9.368 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.142 9.333 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 61 10.941 7.603 -2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.287 9.714 -5.462 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.876 9.447 -6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.972 7.255 -3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.385 8.064 -5.168 1.00 0.00 H new ATOM 997 N PHE A 62 5.790 7.438 -6.447 1.00 0.00 N ATOM 998 CA PHE A 62 5.887 6.714 -7.710 1.00 0.00 C ATOM 999 C PHE A 62 5.712 7.667 -8.890 1.00 0.00 C ATOM 1000 O PHE A 62 6.450 7.590 -9.874 1.00 0.00 O ATOM 1001 CB PHE A 62 4.842 5.598 -7.788 1.00 0.00 C ATOM 1002 CG PHE A 62 5.139 4.417 -6.910 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.034 3.442 -7.323 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.517 4.274 -5.682 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.306 2.348 -6.524 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.783 3.180 -4.880 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.679 2.216 -5.301 1.00 0.00 C ATOM 0 H PHE A 62 4.910 7.303 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 62 6.879 6.265 -7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.869 6.006 -7.513 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.765 5.259 -8.821 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.524 3.539 -8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.817 5.025 -5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.008 1.597 -6.856 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.290 3.079 -3.924 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.888 1.361 -4.675 1.00 0.00 H new ATOM 1017 N GLU A 63 4.741 8.574 -8.777 1.00 0.00 N ATOM 1018 CA GLU A 63 4.471 9.560 -9.826 1.00 0.00 C ATOM 1019 C GLU A 63 5.679 10.459 -10.055 1.00 0.00 C ATOM 1020 O GLU A 63 5.899 10.958 -11.159 1.00 0.00 O ATOM 1021 CB GLU A 63 3.266 10.425 -9.463 1.00 0.00 C ATOM 1022 CG GLU A 63 1.994 9.636 -9.232 1.00 0.00 C ATOM 1023 CD GLU A 63 0.794 10.535 -9.025 1.00 0.00 C ATOM 1024 OE1 GLU A 63 0.609 11.040 -7.900 1.00 0.00 O ATOM 1025 OE2 GLU A 63 0.039 10.755 -9.996 1.00 0.00 O ATOM 0 H GLU A 63 4.126 8.647 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 63 4.256 9.009 -10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.498 10.995 -8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.095 11.147 -10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.814 8.983 -10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.120 8.994 -8.360 1.00 0.00 H new ATOM 1032 N ASP A 64 6.454 10.657 -8.999 1.00 0.00 N ATOM 1033 CA ASP A 64 7.669 11.459 -9.063 1.00 0.00 C ATOM 1034 C ASP A 64 8.670 10.848 -10.039 1.00 0.00 C ATOM 1035 O ASP A 64 9.491 11.549 -10.627 1.00 0.00 O ATOM 1036 CB ASP A 64 8.286 11.573 -7.667 1.00 0.00 C ATOM 1037 CG ASP A 64 9.531 12.435 -7.639 1.00 0.00 C ATOM 1038 OD1 ASP A 64 9.457 13.612 -8.053 1.00 0.00 O ATOM 1039 OD2 ASP A 64 10.581 11.949 -7.173 1.00 0.00 O ATOM 0 H ASP A 64 6.260 10.268 -8.076 1.00 0.00 H new ATOM 0 HA ASP A 64 7.413 12.455 -9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.547 11.989 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.533 10.576 -7.302 1.00 0.00 H new ATOM 1044 N ARG A 65 8.582 9.539 -10.224 1.00 0.00 N ATOM 1045 CA ARG A 65 9.441 8.848 -11.173 1.00 0.00 C ATOM 1046 C ARG A 65 8.681 8.517 -12.452 1.00 0.00 C ATOM 1047 O ARG A 65 9.243 7.927 -13.376 1.00 0.00 O ATOM 1048 CB ARG A 65 10.017 7.569 -10.561 1.00 0.00 C ATOM 1049 CG ARG A 65 10.981 7.830 -9.418 1.00 0.00 C ATOM 1050 CD ARG A 65 10.453 7.296 -8.098 1.00 0.00 C ATOM 1051 NE ARG A 65 10.465 5.831 -8.037 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.044 5.133 -6.982 1.00 0.00 C ATOM 1053 NH1 ARG A 65 9.516 5.761 -5.942 1.00 0.00 N ATOM 1054 NH2 ARG A 65 10.141 3.809 -6.972 1.00 0.00 N ATOM 0 H ARG A 65 7.925 8.935 -9.730 1.00 0.00 H new ATOM 0 HA ARG A 65 10.266 9.517 -11.420 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.198 6.946 -10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.531 7.002 -11.338 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.941 7.365 -9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.159 8.902 -9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.056 7.695 -7.282 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.435 7.654 -7.947 1.00 0.00 H new ATOM 0 HE ARG A 65 10.815 5.318 -8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.432 6.778 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.194 5.228 -5.134 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.539 3.321 -7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.817 3.280 -6.162 1.00 0.00 H new ATOM 1068 N GLY A 66 7.404 8.891 -12.506 1.00 0.00 N ATOM 1069 CA GLY A 66 6.611 8.625 -13.687 1.00 0.00 C ATOM 1070 C GLY A 66 6.086 7.210 -13.702 1.00 0.00 C ATOM 1071 O GLY A 66 5.607 6.722 -14.726 1.00 0.00 O ATOM 0 H GLY A 66 6.909 9.371 -11.754 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.775 9.323 -13.729 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.215 8.798 -14.577 1.00 0.00 H new ATOM 1075 N ALA A 67 6.184 6.542 -12.566 1.00 0.00 N ATOM 1076 CA ALA A 67 5.682 5.189 -12.440 1.00 0.00 C ATOM 1077 C ALA A 67 4.190 5.220 -12.145 1.00 0.00 C ATOM 1078 O ALA A 67 3.761 4.973 -11.018 1.00 0.00 O ATOM 1079 CB ALA A 67 6.439 4.440 -11.355 1.00 0.00 C ATOM 0 H ALA A 67 6.608 6.917 -11.717 1.00 0.00 H new ATOM 0 HA ALA A 67 5.838 4.660 -13.380 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.049 3.425 -11.274 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.498 4.402 -11.610 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.313 4.954 -10.402 1.00 0.00 H new ATOM 1085 N MET A 68 3.406 5.542 -13.163 1.00 0.00 N ATOM 1086 CA MET A 68 1.975 5.755 -12.991 1.00 0.00 C ATOM 1087 C MET A 68 1.265 4.437 -12.734 1.00 0.00 C ATOM 1088 O MET A 68 0.366 4.351 -11.894 1.00 0.00 O ATOM 1089 CB MET A 68 1.378 6.437 -14.225 1.00 0.00 C ATOM 1090 CG MET A 68 2.203 7.603 -14.753 1.00 0.00 C ATOM 1091 SD MET A 68 2.768 8.728 -13.456 1.00 0.00 S ATOM 1092 CE MET A 68 1.219 9.167 -12.680 1.00 0.00 C ATOM 0 H MET A 68 3.737 5.662 -14.120 1.00 0.00 H new ATOM 0 HA MET A 68 1.832 6.405 -12.128 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.267 5.697 -15.017 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.378 6.795 -13.980 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.069 7.213 -15.288 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.608 8.162 -15.475 1.00 0.00 H new ATOM 0 HE1 MET A 68 1.333 10.112 -12.149 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.447 9.270 -13.442 1.00 0.00 H new ATOM 0 HE3 MET A 68 0.931 8.387 -11.975 1.00 0.00 H new ATOM 1102 N GLU A 69 1.687 3.406 -13.447 1.00 0.00 N ATOM 1103 CA GLU A 69 1.106 2.083 -13.297 1.00 0.00 C ATOM 1104 C GLU A 69 1.492 1.495 -11.950 1.00 0.00 C ATOM 1105 O GLU A 69 0.697 0.807 -11.312 1.00 0.00 O ATOM 1106 CB GLU A 69 1.564 1.168 -14.432 1.00 0.00 C ATOM 1107 CG GLU A 69 1.287 1.740 -15.811 1.00 0.00 C ATOM 1108 CD GLU A 69 -0.174 2.076 -16.008 1.00 0.00 C ATOM 1109 OE1 GLU A 69 -0.970 1.151 -16.260 1.00 0.00 O ATOM 1110 OE2 GLU A 69 -0.536 3.265 -15.905 1.00 0.00 O ATOM 0 H GLU A 69 2.434 3.461 -14.139 1.00 0.00 H new ATOM 0 HA GLU A 69 0.020 2.168 -13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.633 0.982 -14.331 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.063 0.205 -14.338 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.887 2.638 -15.957 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.598 1.022 -16.569 1.00 0.00 H new ATOM 1117 N ARG A 70 2.711 1.790 -11.511 1.00 0.00 N ATOM 1118 CA ARG A 70 3.175 1.343 -10.205 1.00 0.00 C ATOM 1119 C ARG A 70 2.439 2.091 -9.099 1.00 0.00 C ATOM 1120 O ARG A 70 2.169 1.531 -8.041 1.00 0.00 O ATOM 1121 CB ARG A 70 4.679 1.552 -10.049 1.00 0.00 C ATOM 1122 CG ARG A 70 5.518 0.870 -11.115 1.00 0.00 C ATOM 1123 CD ARG A 70 6.995 0.958 -10.774 1.00 0.00 C ATOM 1124 NE ARG A 70 7.854 0.595 -11.898 1.00 0.00 N ATOM 1125 CZ ARG A 70 9.090 0.119 -11.762 1.00 0.00 C ATOM 1126 NH1 ARG A 70 9.574 -0.137 -10.552 1.00 0.00 N ATOM 1127 NH2 ARG A 70 9.830 -0.119 -12.837 1.00 0.00 N ATOM 0 H ARG A 70 3.393 2.335 -12.039 1.00 0.00 H new ATOM 0 HA ARG A 70 2.965 0.276 -10.126 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.889 2.621 -10.067 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.986 1.183 -9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.222 -0.175 -11.204 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.335 1.337 -12.083 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.230 1.973 -10.455 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.209 0.301 -9.931 1.00 0.00 H new ATOM 0 HE ARG A 70 7.486 0.713 -12.842 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.999 0.031 -9.727 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.521 -0.502 -10.448 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.452 0.063 -13.767 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.777 -0.484 -12.734 1.00 0.00 H new ATOM 1141 N ALA A 71 2.117 3.357 -9.354 1.00 0.00 N ATOM 1142 CA ALA A 71 1.334 4.154 -8.417 1.00 0.00 C ATOM 1143 C ALA A 71 -0.046 3.538 -8.230 1.00 0.00 C ATOM 1144 O ALA A 71 -0.500 3.330 -7.104 1.00 0.00 O ATOM 1145 CB ALA A 71 1.215 5.587 -8.912 1.00 0.00 C ATOM 0 H ALA A 71 2.387 3.852 -10.204 1.00 0.00 H new ATOM 0 HA ALA A 71 1.844 4.164 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.628 6.170 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.209 6.024 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.722 5.596 -9.884 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.700 3.234 -9.346 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.991 2.547 -9.321 1.00 0.00 C ATOM 1153 C ASN A 72 -1.863 1.177 -8.667 1.00 0.00 C ATOM 1154 O ASN A 72 -2.763 0.731 -7.951 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.552 2.382 -10.737 1.00 0.00 C ATOM 1156 CG ASN A 72 -3.201 3.645 -11.266 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -4.404 3.857 -11.094 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -2.422 4.490 -11.915 1.00 0.00 N ATOM 0 H ASN A 72 -0.358 3.452 -10.282 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.677 3.160 -8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.747 2.085 -11.409 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.284 1.575 -10.740 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.811 5.353 -12.294 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.431 4.280 -12.037 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.740 0.518 -8.921 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.461 -0.784 -8.341 1.00 0.00 C ATOM 1167 C LYS A 73 -0.357 -0.671 -6.825 1.00 0.00 C ATOM 1168 O LYS A 73 -1.017 -1.409 -6.097 1.00 0.00 O ATOM 1169 CB LYS A 73 0.835 -1.347 -8.929 1.00 0.00 C ATOM 1170 CG LYS A 73 1.112 -2.792 -8.554 1.00 0.00 C ATOM 1171 CD LYS A 73 2.331 -3.322 -9.288 1.00 0.00 C ATOM 1172 CE LYS A 73 2.534 -4.802 -9.030 1.00 0.00 C ATOM 1173 NZ LYS A 73 3.639 -5.357 -9.853 1.00 0.00 N ATOM 0 H LYS A 73 -0.003 0.870 -9.531 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.278 -1.465 -8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.793 -1.267 -10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.670 -0.730 -8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.270 -2.868 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.244 -3.406 -8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.216 -3.150 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.216 -2.771 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.752 -4.961 -7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.611 -5.339 -9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.466 -6.367 -10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.686 -4.849 -10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.540 -5.244 -9.346 1.00 0.00 H new ATOM 1187 N ALA A 74 0.460 0.275 -6.360 1.00 0.00 N ATOM 1188 CA ALA A 74 0.615 0.531 -4.932 1.00 0.00 C ATOM 1189 C ALA A 74 -0.736 0.807 -4.293 1.00 0.00 C ATOM 1190 O ALA A 74 -1.094 0.201 -3.285 1.00 0.00 O ATOM 1191 CB ALA A 74 1.547 1.713 -4.699 1.00 0.00 C ATOM 0 H ALA A 74 1.026 0.878 -6.957 1.00 0.00 H new ATOM 0 HA ALA A 74 1.050 -0.356 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.651 1.889 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.525 1.495 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.133 2.602 -5.175 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.480 1.712 -4.917 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.808 2.104 -4.464 1.00 0.00 C ATOM 1199 C ARG A 75 -3.710 0.889 -4.230 1.00 0.00 C ATOM 1200 O ARG A 75 -4.368 0.783 -3.193 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.422 3.037 -5.509 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.832 3.504 -5.202 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.324 4.445 -6.288 1.00 0.00 C ATOM 1204 NE ARG A 75 -6.704 4.870 -6.083 1.00 0.00 N ATOM 1205 CZ ARG A 75 -7.439 5.462 -7.021 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -6.891 5.793 -8.183 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -8.714 5.743 -6.789 1.00 0.00 N ATOM 0 H ARG A 75 -1.175 2.199 -5.760 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.718 2.619 -3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.781 3.912 -5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.426 2.527 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.499 2.645 -5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.853 4.009 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.679 5.323 -6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.240 3.951 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.129 4.704 -5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.906 5.594 -8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.455 6.247 -8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.133 5.505 -5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.275 6.197 -7.510 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.718 -0.036 -5.182 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.580 -1.208 -5.095 1.00 0.00 C ATOM 1223 C ARG A 76 -4.056 -2.210 -4.069 1.00 0.00 C ATOM 1224 O ARG A 76 -4.823 -2.743 -3.266 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.715 -1.871 -6.465 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.649 -3.070 -6.469 1.00 0.00 C ATOM 1227 CD ARG A 76 -6.076 -3.434 -7.879 1.00 0.00 C ATOM 1228 NE ARG A 76 -6.691 -2.294 -8.561 1.00 0.00 N ATOM 1229 CZ ARG A 76 -8.006 -2.075 -8.612 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -8.852 -2.947 -8.078 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -8.477 -0.992 -9.215 1.00 0.00 N ATOM 0 H ARG A 76 -3.139 0.002 -6.021 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.564 -0.875 -4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.079 -1.135 -7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.729 -2.187 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.151 -3.922 -6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.530 -2.849 -5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.210 -3.776 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.782 -4.264 -7.844 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.076 -1.626 -9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.498 -3.790 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.856 -2.774 -8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.834 -0.325 -9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.483 -0.826 -9.253 1.00 0.00 H new ATOM 1245 N ARG A 77 -2.751 -2.452 -4.089 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.135 -3.393 -3.158 1.00 0.00 C ATOM 1247 C ARG A 77 -2.363 -2.940 -1.715 1.00 0.00 C ATOM 1248 O ARG A 77 -2.682 -3.751 -0.844 1.00 0.00 O ATOM 1249 CB ARG A 77 -0.634 -3.522 -3.432 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.278 -4.011 -4.833 1.00 0.00 C ATOM 1251 CD ARG A 77 -0.391 -5.524 -4.987 1.00 0.00 C ATOM 1252 NE ARG A 77 -1.773 -5.995 -5.107 1.00 0.00 N ATOM 1253 CZ ARG A 77 -2.173 -6.887 -6.017 1.00 0.00 C ATOM 1254 NH1 ARG A 77 -1.328 -7.343 -6.931 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -3.423 -7.319 -6.022 1.00 0.00 N ATOM 0 H ARG A 77 -2.099 -2.011 -4.738 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.601 -4.368 -3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.165 -2.551 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.204 -4.208 -2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.934 -3.528 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.740 -3.703 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.169 -5.835 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.076 -6.005 -4.127 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.468 -5.621 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.363 -7.013 -6.943 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.643 -8.024 -7.622 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.086 -6.971 -5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.724 -8.000 -6.719 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.213 -1.637 -1.471 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.448 -1.074 -0.146 1.00 0.00 C ATOM 1271 C CYS A 78 -3.911 -1.230 0.247 1.00 0.00 C ATOM 1272 O CYS A 78 -4.221 -1.524 1.401 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.058 0.405 -0.109 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.327 0.724 -0.512 1.00 0.00 S ATOM 0 H CYS A 78 -1.930 -0.955 -2.175 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.828 -1.618 0.566 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.689 0.953 -0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.267 0.799 0.885 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.158 0.637 -1.798 1.00 0.00 H new ATOM 1280 N GLY A 79 -4.806 -1.039 -0.722 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.227 -1.209 -0.479 1.00 0.00 C ATOM 1282 C GLY A 79 -6.556 -2.575 0.088 1.00 0.00 C ATOM 1283 O GLY A 79 -7.435 -2.703 0.940 1.00 0.00 O ATOM 0 H GLY A 79 -4.568 -0.768 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.569 -0.439 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.772 -1.065 -1.412 1.00 0.00 H new ATOM 1287 N GLU A 80 -5.845 -3.592 -0.380 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.021 -4.949 0.120 1.00 0.00 C ATOM 1289 C GLU A 80 -5.469 -5.094 1.535 1.00 0.00 C ATOM 1290 O GLU A 80 -6.035 -5.815 2.355 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.347 -5.949 -0.810 1.00 0.00 C ATOM 1292 CG GLU A 80 -6.072 -6.126 -2.127 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.296 -6.984 -3.099 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -4.941 -8.128 -2.744 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -5.046 -6.516 -4.227 1.00 0.00 O ATOM 0 H GLU A 80 -5.137 -3.502 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.091 -5.157 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.326 -5.621 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.280 -6.914 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.047 -6.579 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.253 -5.148 -2.574 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.367 -4.407 1.818 1.00 0.00 N ATOM 1303 CA VAL A 81 -3.810 -4.391 3.165 1.00 0.00 C ATOM 1304 C VAL A 81 -4.824 -3.787 4.137 1.00 0.00 C ATOM 1305 O VAL A 81 -5.088 -4.341 5.207 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.486 -3.595 3.234 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -1.903 -3.634 4.638 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.481 -4.134 2.224 1.00 0.00 C ATOM 0 H VAL A 81 -3.845 -3.857 1.136 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.593 -5.422 3.445 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.703 -2.557 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.972 -3.067 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.613 -3.195 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.706 -4.668 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.557 -3.560 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.274 -5.182 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.893 -4.046 1.219 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.406 -2.656 3.739 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.472 -2.029 4.511 1.00 0.00 C ATOM 1320 C PHE A 82 -7.671 -2.966 4.607 1.00 0.00 C ATOM 1321 O PHE A 82 -8.292 -3.091 5.659 1.00 0.00 O ATOM 1322 CB PHE A 82 -6.910 -0.707 3.870 1.00 0.00 C ATOM 1323 CG PHE A 82 -5.905 0.405 3.991 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.696 1.034 5.205 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.187 0.833 2.887 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.785 2.068 5.318 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.273 1.864 2.994 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.072 2.483 4.211 1.00 0.00 C ATOM 0 H PHE A 82 -5.155 -2.157 2.886 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.087 -1.823 5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.117 -0.880 2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.845 -0.387 4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.251 0.714 6.075 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.343 0.355 1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.631 2.551 6.272 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.716 2.185 2.126 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.359 3.290 4.297 1.00 0.00 H new ATOM 1338 N ARG A 83 -7.979 -3.624 3.496 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.097 -4.555 3.422 1.00 0.00 C ATOM 1340 C ARG A 83 -8.948 -5.676 4.447 1.00 0.00 C ATOM 1341 O ARG A 83 -9.894 -5.993 5.166 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.199 -5.132 2.010 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.292 -6.167 1.834 1.00 0.00 C ATOM 1344 CD ARG A 83 -10.493 -6.495 0.365 1.00 0.00 C ATOM 1345 NE ARG A 83 -10.977 -5.337 -0.386 1.00 0.00 N ATOM 1346 CZ ARG A 83 -10.734 -5.126 -1.680 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -9.982 -5.977 -2.370 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -11.240 -4.056 -2.279 1.00 0.00 N ATOM 0 H ARG A 83 -7.461 -3.527 2.622 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.014 -4.012 3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.372 -4.316 1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.243 -5.583 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.032 -7.073 2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.224 -5.794 2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.552 -6.839 -0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.205 -7.315 0.269 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.537 -4.646 0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.587 -6.797 -1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.800 -5.810 -3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.813 -3.398 -1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.056 -3.891 -3.269 1.00 0.00 H new ATOM 1362 N TYR A 84 -7.758 -6.259 4.522 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.488 -7.318 5.487 1.00 0.00 C ATOM 1364 C TYR A 84 -7.689 -6.798 6.906 1.00 0.00 C ATOM 1365 O TYR A 84 -8.273 -7.479 7.751 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.062 -7.852 5.317 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.746 -9.046 6.197 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -6.084 -10.331 5.795 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.111 -8.887 7.425 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -5.798 -11.425 6.589 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.822 -9.977 8.223 1.00 0.00 C ATOM 1372 CZ TYR A 84 -5.169 -11.243 7.802 1.00 0.00 C ATOM 1373 OH TYR A 84 -4.879 -12.334 8.592 1.00 0.00 O ATOM 0 H TYR A 84 -6.965 -6.017 3.927 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.186 -8.136 5.307 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.910 -8.131 4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.356 -7.052 5.539 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.579 -10.478 4.846 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.840 -7.896 7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.066 -12.418 6.261 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.326 -9.838 9.172 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.435 -12.035 9.413 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.224 -5.578 7.149 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.370 -4.947 8.453 1.00 0.00 C ATOM 1385 C ALA A 85 -8.840 -4.727 8.794 1.00 0.00 C ATOM 1386 O ALA A 85 -9.226 -4.782 9.960 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.614 -3.631 8.493 1.00 0.00 C ATOM 0 H ALA A 85 -6.741 -5.005 6.457 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.946 -5.617 9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.734 -3.172 9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.556 -3.813 8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.009 -2.961 7.729 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.654 -4.475 7.777 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.092 -4.326 7.966 1.00 0.00 C ATOM 1395 C ILE A 86 -11.726 -5.679 8.287 1.00 0.00 C ATOM 1396 O ILE A 86 -12.550 -5.788 9.198 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.775 -3.715 6.718 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.213 -2.316 6.433 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.285 -3.651 6.909 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.782 -1.666 5.186 1.00 0.00 C ATOM 0 H ILE A 86 -9.343 -4.369 6.811 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.242 -3.643 8.802 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.564 -4.357 5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.414 -1.673 7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.130 -2.384 6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.746 -3.219 6.021 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.675 -4.657 7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.516 -3.032 7.776 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.335 -0.681 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.558 -2.286 4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.862 -1.564 5.290 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.323 -6.708 7.546 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.837 -8.061 7.753 1.00 0.00 C ATOM 1414 C VAL A 87 -11.515 -8.561 9.162 1.00 0.00 C ATOM 1415 O VAL A 87 -12.356 -9.174 9.819 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.265 -9.052 6.712 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.770 -10.465 6.968 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.624 -8.608 5.301 1.00 0.00 C ATOM 0 H VAL A 87 -10.639 -6.631 6.793 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.919 -8.012 7.629 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.180 -9.057 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.353 -11.141 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.462 -10.787 7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.858 -10.480 6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.214 -9.316 4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.708 -8.571 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.207 -7.618 5.114 1.00 0.00 H new ATOM 1428 N THR A 88 -10.305 -8.277 9.629 1.00 0.00 N ATOM 1429 CA THR A 88 -9.887 -8.702 10.959 1.00 0.00 C ATOM 1430 C THR A 88 -10.404 -7.731 12.033 1.00 0.00 C ATOM 1431 O THR A 88 -10.075 -7.856 13.211 1.00 0.00 O ATOM 1432 CB THR A 88 -8.347 -8.844 11.049 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.963 -9.434 12.299 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.655 -7.500 10.893 1.00 0.00 C ATOM 0 H THR A 88 -9.599 -7.756 9.109 1.00 0.00 H new ATOM 0 HA THR A 88 -10.325 -9.683 11.143 1.00 0.00 H new ATOM 0 HB THR A 88 -8.035 -9.494 10.231 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.602 -9.172 12.994 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.576 -7.636 10.961 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.906 -7.072 9.922 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.986 -6.826 11.683 1.00 0.00 H new ATOM 1442 N GLY A 89 -11.220 -6.769 11.614 1.00 0.00 N ATOM 1443 CA GLY A 89 -11.882 -5.878 12.553 1.00 0.00 C ATOM 1444 C GLY A 89 -10.929 -4.946 13.275 1.00 0.00 C ATOM 1445 O GLY A 89 -11.174 -4.564 14.418 1.00 0.00 O ATOM 0 H GLY A 89 -11.436 -6.589 10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.623 -5.284 12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -12.422 -6.474 13.289 1.00 0.00 H new ATOM 1449 N ARG A 90 -9.840 -4.581 12.620 1.00 0.00 N ATOM 1450 CA ARG A 90 -8.896 -3.634 13.198 1.00 0.00 C ATOM 1451 C ARG A 90 -9.124 -2.249 12.624 1.00 0.00 C ATOM 1452 O ARG A 90 -9.087 -1.251 13.342 1.00 0.00 O ATOM 1453 CB ARG A 90 -7.453 -4.073 12.946 1.00 0.00 C ATOM 1454 CG ARG A 90 -7.070 -5.348 13.671 1.00 0.00 C ATOM 1455 CD ARG A 90 -5.618 -5.712 13.418 1.00 0.00 C ATOM 1456 NE ARG A 90 -5.261 -6.978 14.048 1.00 0.00 N ATOM 1457 CZ ARG A 90 -4.049 -7.521 14.004 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -3.055 -6.900 13.376 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -3.828 -8.681 14.602 1.00 0.00 N ATOM 0 H ARG A 90 -9.587 -4.922 11.693 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.062 -3.607 14.275 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.308 -4.216 11.875 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.780 -3.273 13.255 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.235 -5.224 14.741 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.714 -6.163 13.342 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.441 -5.777 12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.973 -4.921 13.800 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.990 -7.480 14.556 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.220 -6.001 12.924 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.127 -7.323 13.346 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.586 -9.154 15.094 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.899 -9.102 14.571 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.370 -2.197 11.328 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.627 -0.940 10.653 1.00 0.00 C ATOM 1475 C ALA A 91 -11.109 -0.797 10.353 1.00 0.00 C ATOM 1476 O ALA A 91 -11.759 -1.749 9.923 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.808 -0.842 9.375 1.00 0.00 C ATOM 0 H ALA A 91 -9.397 -3.015 10.720 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.328 -0.125 11.311 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.014 0.108 8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.747 -0.902 9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.075 -1.662 8.708 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.637 0.388 10.595 1.00 0.00 N ATOM 1484 CA LYS A 92 -13.042 0.660 10.349 1.00 0.00 C ATOM 1485 C LYS A 92 -13.198 1.427 9.044 1.00 0.00 C ATOM 1486 O LYS A 92 -14.200 1.295 8.339 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.637 1.467 11.510 1.00 0.00 C ATOM 1488 CG LYS A 92 -15.100 1.833 11.318 1.00 0.00 C ATOM 1489 CD LYS A 92 -15.628 2.649 12.484 1.00 0.00 C ATOM 1490 CE LYS A 92 -17.089 3.024 12.293 1.00 0.00 C ATOM 1491 NZ LYS A 92 -17.962 1.827 12.153 1.00 0.00 N ATOM 0 H LYS A 92 -11.112 1.181 10.963 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.578 -0.286 10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.534 0.892 12.430 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -13.058 2.381 11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -15.216 2.400 10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.692 0.924 11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -15.516 2.080 13.407 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.031 3.555 12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.424 3.619 13.143 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -17.189 3.650 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.958 2.111 12.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.811 1.394 11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.728 1.138 12.896 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.186 2.213 8.724 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.216 3.053 7.545 1.00 0.00 C ATOM 1507 C TYR A 93 -10.819 3.189 6.959 1.00 0.00 C ATOM 1508 O TYR A 93 -9.846 3.390 7.688 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.777 4.433 7.899 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.800 5.406 6.742 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -13.765 5.309 5.749 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.864 6.428 6.654 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -13.797 6.206 4.701 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -11.889 7.326 5.607 1.00 0.00 C ATOM 1515 CZ TYR A 93 -12.858 7.211 4.634 1.00 0.00 C ATOM 1516 OH TYR A 93 -12.896 8.113 3.600 1.00 0.00 O ATOM 0 H TYR A 93 -11.328 2.286 9.270 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.863 2.590 6.800 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.791 4.314 8.280 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.181 4.859 8.706 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.501 4.520 5.797 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.105 6.521 7.417 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.555 6.120 3.937 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.153 8.115 5.550 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.025 8.556 3.520 1.00 0.00 H new ATOM 1526 N ASN A 94 -10.728 3.067 5.648 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.467 3.249 4.951 1.00 0.00 C ATOM 1528 C ASN A 94 -9.530 4.505 4.089 1.00 0.00 C ATOM 1529 O ASN A 94 -10.509 4.732 3.380 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.129 2.018 4.092 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.151 1.734 3.002 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.343 2.000 3.158 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -9.693 1.178 1.890 1.00 0.00 N ATOM 0 H ASN A 94 -11.516 2.841 5.041 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.675 3.366 5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.152 2.164 3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.049 1.145 4.740 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.335 0.957 1.129 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.699 0.971 1.795 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.489 5.346 4.144 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.455 6.614 3.408 1.00 0.00 C ATOM 1542 C PRO A 95 -8.157 6.430 1.917 1.00 0.00 C ATOM 1543 O PRO A 95 -7.485 7.253 1.300 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.324 7.382 4.094 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.403 6.329 4.608 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.263 5.137 4.940 1.00 0.00 C ATOM 0 HA PRO A 95 -9.418 7.124 3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.815 8.045 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.704 8.005 4.904 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.653 6.071 3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.867 6.679 5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.769 4.202 4.674 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.483 5.089 6.006 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.688 5.359 1.338 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.487 5.068 -0.077 1.00 0.00 C ATOM 1556 C ALA A 96 -9.244 6.058 -0.977 1.00 0.00 C ATOM 1557 O ALA A 96 -8.676 6.551 -1.952 1.00 0.00 O ATOM 1558 CB ALA A 96 -8.882 3.632 -0.395 1.00 0.00 C ATOM 0 H ALA A 96 -9.264 4.675 1.829 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.424 5.187 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.724 3.438 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.272 2.948 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.934 3.482 -0.152 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.537 6.355 -0.699 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.272 7.381 -1.451 1.00 0.00 C ATOM 1566 C PRO A 97 -10.653 8.766 -1.271 1.00 0.00 C ATOM 1567 O PRO A 97 -10.655 9.586 -2.190 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.686 7.339 -0.857 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.539 6.669 0.465 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.398 5.706 0.313 1.00 0.00 C ATOM 0 HA PRO A 97 -11.255 7.190 -2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.095 8.343 -0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.368 6.787 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.334 7.396 1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.455 6.148 0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.870 5.557 1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.740 4.726 -0.019 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.121 9.012 -0.077 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.432 10.263 0.223 1.00 0.00 C ATOM 1580 C ASP A 98 -8.165 10.357 -0.608 1.00 0.00 C ATOM 1581 O ASP A 98 -7.856 11.401 -1.182 1.00 0.00 O ATOM 1582 CB ASP A 98 -9.075 10.332 1.710 1.00 0.00 C ATOM 1583 CG ASP A 98 -10.254 10.015 2.602 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -10.565 8.818 2.772 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.885 10.957 3.126 1.00 0.00 O ATOM 0 H ASP A 98 -10.155 8.356 0.703 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.093 11.095 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.266 9.632 1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.703 11.329 1.945 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.443 9.243 -0.658 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.258 9.099 -1.495 1.00 0.00 C ATOM 1592 C LEU A 99 -6.574 9.502 -2.937 1.00 0.00 C ATOM 1593 O LEU A 99 -5.825 10.259 -3.555 1.00 0.00 O ATOM 1594 CB LEU A 99 -5.770 7.635 -1.397 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.615 7.193 -2.312 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.123 6.810 -3.690 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.561 8.274 -2.426 1.00 0.00 C ATOM 0 H LEU A 99 -7.665 8.409 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.463 9.760 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.467 7.453 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.622 6.985 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.158 6.314 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.284 6.502 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.831 5.986 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.619 7.667 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.758 7.932 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.009 9.176 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.156 8.493 -1.438 1.00 0.00 H new ATOM 1609 N ALA A 100 -7.694 9.009 -3.452 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.106 9.302 -4.819 1.00 0.00 C ATOM 1611 C ALA A 100 -8.323 10.798 -5.027 1.00 0.00 C ATOM 1612 O ALA A 100 -7.757 11.394 -5.943 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.377 8.540 -5.160 1.00 0.00 C ATOM 0 H ALA A 100 -8.335 8.402 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.305 8.981 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.674 8.768 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.196 7.469 -5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.173 8.836 -4.477 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.127 11.400 -4.159 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.503 12.803 -4.310 1.00 0.00 C ATOM 1621 C ASP A 101 -8.295 13.717 -4.129 1.00 0.00 C ATOM 1622 O ASP A 101 -8.107 14.676 -4.880 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.597 13.178 -3.310 1.00 0.00 C ATOM 1624 CG ASP A 101 -11.263 14.494 -3.656 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -12.190 14.488 -4.495 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -10.873 15.536 -3.093 1.00 0.00 O ATOM 0 H ASP A 101 -9.532 10.940 -3.343 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.888 12.937 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.348 12.389 -3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.167 13.242 -2.311 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.472 13.403 -3.138 1.00 0.00 N ATOM 1632 CA ALA A 102 -6.260 14.168 -2.877 1.00 0.00 C ATOM 1633 C ALA A 102 -5.318 14.108 -4.074 1.00 0.00 C ATOM 1634 O ALA A 102 -4.776 15.125 -4.497 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.562 13.655 -1.626 1.00 0.00 C ATOM 0 H ALA A 102 -7.622 12.622 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.542 15.208 -2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.659 14.239 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.231 13.751 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.295 12.607 -1.762 1.00 0.00 H new ATOM 1641 N MET A 103 -5.147 12.907 -4.622 1.00 0.00 N ATOM 1642 CA MET A 103 -4.312 12.700 -5.803 1.00 0.00 C ATOM 1643 C MET A 103 -4.762 13.597 -6.954 1.00 0.00 C ATOM 1644 O MET A 103 -3.946 14.081 -7.739 1.00 0.00 O ATOM 1645 CB MET A 103 -4.386 11.238 -6.246 1.00 0.00 C ATOM 1646 CG MET A 103 -3.415 10.880 -7.360 1.00 0.00 C ATOM 1647 SD MET A 103 -3.808 9.303 -8.141 1.00 0.00 S ATOM 1648 CE MET A 103 -3.997 8.249 -6.707 1.00 0.00 C ATOM 0 H MET A 103 -5.580 12.056 -4.263 1.00 0.00 H new ATOM 0 HA MET A 103 -3.286 12.955 -5.539 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.189 10.598 -5.386 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.401 11.021 -6.579 1.00 0.00 H new ATOM 0 HG2 MET A 103 -3.426 11.667 -8.114 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.403 10.839 -6.956 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.714 7.229 -6.966 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.356 8.610 -5.903 1.00 0.00 H new ATOM 0 HE3 MET A 103 -5.036 8.265 -6.378 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.068 13.807 -7.049 1.00 0.00 N ATOM 1659 CA LYS A 104 -6.638 14.640 -8.098 1.00 0.00 C ATOM 1660 C LYS A 104 -6.263 16.103 -7.900 1.00 0.00 C ATOM 1661 O LYS A 104 -5.580 16.699 -8.735 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.163 14.505 -8.121 1.00 0.00 C ATOM 1663 CG LYS A 104 -8.654 13.086 -8.353 1.00 0.00 C ATOM 1664 CD LYS A 104 -10.163 12.988 -8.187 1.00 0.00 C ATOM 1665 CE LYS A 104 -10.650 11.554 -8.313 1.00 0.00 C ATOM 1666 NZ LYS A 104 -12.120 11.448 -8.115 1.00 0.00 N ATOM 0 H LYS A 104 -6.755 13.410 -6.409 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.230 14.298 -9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.564 14.867 -7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.563 15.150 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.375 12.762 -9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.164 12.410 -7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.449 13.385 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.653 13.606 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.387 11.167 -9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.139 10.931 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.412 10.454 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.368 11.794 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.609 12.022 -8.831 1.00 0.00 H new