USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 983 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 30 SER OG : rot 50:sc= 1.91 USER MOD Set 1.2: A 72 SER OG : rot -142:sc= 0.711 USER MOD Set 2.1: A 13 THR OG1 : rot 30:sc= 0.973 USER MOD Set 2.2: A 16 THR OG1 : rot 180:sc= 0.812 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.105 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.219 K(o=-0.22,f=-0.95) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -29:sc= 0.47 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.2!) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00166) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -135:sc= 1.24 (180deg=-0.115) USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.16) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 1.3 (180deg=1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0455 USER MOD Single : A 55 TYR OH : rot 165:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.0853 K(o=0.085,f=-2.2!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 95:sc= 1.29 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 150:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : A 86 CYS SG : rot 133:sc= -0.909 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0566 K(o=-0.057,f=-1.1) USER MOD Single : A 105 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 114 GLN : amide:sc= -0.313 K(o=-0.31,f=-1.9!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.652 15.948 -16.909 1.00 0.00 N ATOM 2 CA GLY A 1 4.568 16.302 -15.820 1.00 0.00 C ATOM 3 C GLY A 1 4.540 17.796 -15.565 1.00 0.00 C ATOM 4 O GLY A 1 5.424 18.516 -16.025 1.00 0.00 O ATOM 0 H1 GLY A 1 3.684 14.921 -17.070 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.684 16.228 -16.653 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.937 16.443 -17.778 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.287 15.767 -14.913 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.581 15.990 -16.073 1.00 0.00 H new ATOM 8 N SER A 2 3.539 18.287 -14.841 1.00 0.00 N ATOM 9 CA SER A 2 3.409 19.672 -14.419 1.00 0.00 C ATOM 10 C SER A 2 4.215 19.880 -13.131 1.00 0.00 C ATOM 11 O SER A 2 4.044 19.125 -12.166 1.00 0.00 O ATOM 12 CB SER A 2 1.918 20.005 -14.248 1.00 0.00 C ATOM 13 OG SER A 2 1.122 18.888 -13.872 1.00 0.00 O ATOM 0 H SER A 2 2.766 17.704 -14.521 1.00 0.00 H new ATOM 0 HA SER A 2 3.812 20.353 -15.169 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.813 20.785 -13.494 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.536 20.413 -15.184 1.00 0.00 H new ATOM 0 HG SER A 2 0.188 19.169 -13.779 1.00 0.00 H new ATOM 19 N SER A 3 5.103 20.881 -13.114 1.00 0.00 N ATOM 20 CA SER A 3 6.086 21.134 -12.054 1.00 0.00 C ATOM 21 C SER A 3 6.924 19.882 -11.708 1.00 0.00 C ATOM 22 O SER A 3 6.925 18.898 -12.460 1.00 0.00 O ATOM 23 CB SER A 3 5.378 21.745 -10.835 1.00 0.00 C ATOM 24 OG SER A 3 4.719 22.957 -11.167 1.00 0.00 O ATOM 0 H SER A 3 5.159 21.565 -13.869 1.00 0.00 H new ATOM 0 HA SER A 3 6.815 21.858 -12.419 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.654 21.033 -10.439 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.106 21.931 -10.046 1.00 0.00 H new ATOM 0 HG SER A 3 4.278 23.318 -10.370 1.00 0.00 H new ATOM 30 N GLY A 4 7.686 19.929 -10.612 1.00 0.00 N ATOM 31 CA GLY A 4 8.258 18.765 -9.945 1.00 0.00 C ATOM 32 C GLY A 4 9.714 18.970 -9.543 1.00 0.00 C ATOM 33 O GLY A 4 10.376 19.888 -10.041 1.00 0.00 O ATOM 0 H GLY A 4 7.927 20.807 -10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.670 18.536 -9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.187 17.902 -10.606 1.00 0.00 H new ATOM 37 N SER A 5 10.225 18.053 -8.724 1.00 0.00 N ATOM 38 CA SER A 5 11.628 17.931 -8.345 1.00 0.00 C ATOM 39 C SER A 5 11.972 16.446 -8.215 1.00 0.00 C ATOM 40 O SER A 5 11.116 15.643 -7.831 1.00 0.00 O ATOM 41 CB SER A 5 11.855 18.630 -6.998 1.00 0.00 C ATOM 42 OG SER A 5 11.634 20.017 -7.142 1.00 0.00 O ATOM 0 H SER A 5 9.641 17.340 -8.286 1.00 0.00 H new ATOM 0 HA SER A 5 12.262 18.395 -9.101 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.181 18.220 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.871 18.448 -6.649 1.00 0.00 H new ATOM 0 HG SER A 5 11.778 20.462 -6.281 1.00 0.00 H new ATOM 48 N SER A 6 13.221 16.087 -8.504 1.00 0.00 N ATOM 49 CA SER A 6 13.806 14.804 -8.146 1.00 0.00 C ATOM 50 C SER A 6 13.887 14.664 -6.622 1.00 0.00 C ATOM 51 O SER A 6 13.789 15.647 -5.883 1.00 0.00 O ATOM 52 CB SER A 6 15.208 14.710 -8.768 1.00 0.00 C ATOM 53 OG SER A 6 15.238 13.806 -9.853 1.00 0.00 O ATOM 0 H SER A 6 13.867 16.697 -9.005 1.00 0.00 H new ATOM 0 HA SER A 6 13.182 13.996 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.522 15.697 -9.108 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.922 14.391 -8.009 1.00 0.00 H new ATOM 0 HG SER A 6 16.144 13.772 -10.226 1.00 0.00 H new ATOM 59 N GLY A 7 14.135 13.441 -6.153 1.00 0.00 N ATOM 60 CA GLY A 7 14.455 13.151 -4.766 1.00 0.00 C ATOM 61 C GLY A 7 15.963 12.983 -4.644 1.00 0.00 C ATOM 62 O GLY A 7 16.508 12.053 -5.240 1.00 0.00 O ATOM 0 H GLY A 7 14.117 12.610 -6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.110 13.959 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.945 12.244 -4.441 1.00 0.00 H new ATOM 66 N MET A 8 16.639 13.894 -3.934 1.00 0.00 N ATOM 67 CA MET A 8 18.093 13.876 -3.769 1.00 0.00 C ATOM 68 C MET A 8 18.507 12.846 -2.709 1.00 0.00 C ATOM 69 O MET A 8 19.076 11.813 -3.060 1.00 0.00 O ATOM 70 CB MET A 8 18.623 15.273 -3.400 1.00 0.00 C ATOM 71 CG MET A 8 18.537 16.276 -4.557 1.00 0.00 C ATOM 72 SD MET A 8 19.037 17.930 -4.020 1.00 0.00 S ATOM 73 CE MET A 8 18.759 18.909 -5.520 1.00 0.00 C ATOM 0 H MET A 8 16.185 14.671 -3.454 1.00 0.00 H new ATOM 0 HA MET A 8 18.535 13.586 -4.722 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.057 15.657 -2.552 1.00 0.00 H new ATOM 0 HB3 MET A 8 19.661 15.188 -3.078 1.00 0.00 H new ATOM 0 HG2 MET A 8 19.176 15.947 -5.376 1.00 0.00 H new ATOM 0 HG3 MET A 8 17.517 16.307 -4.941 1.00 0.00 H new ATOM 0 HE1 MET A 8 19.026 19.949 -5.331 1.00 0.00 H new ATOM 0 HE2 MET A 8 19.375 18.517 -6.329 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.708 18.851 -5.803 1.00 0.00 H new ATOM 83 N ASN A 9 18.309 13.131 -1.413 1.00 0.00 N ATOM 84 CA ASN A 9 18.720 12.218 -0.331 1.00 0.00 C ATOM 85 C ASN A 9 17.757 11.028 -0.252 1.00 0.00 C ATOM 86 O ASN A 9 16.650 11.127 -0.786 1.00 0.00 O ATOM 87 CB ASN A 9 18.787 12.958 1.018 1.00 0.00 C ATOM 88 CG ASN A 9 19.546 12.137 2.056 1.00 0.00 C ATOM 89 OD1 ASN A 9 20.575 11.553 1.739 1.00 0.00 O ATOM 90 ND2 ASN A 9 19.066 12.029 3.280 1.00 0.00 N ATOM 0 H ASN A 9 17.865 13.989 -1.086 1.00 0.00 H new ATOM 0 HA ASN A 9 19.719 11.844 -0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 9 19.277 13.923 0.884 1.00 0.00 H new ATOM 0 HB3 ASN A 9 17.778 13.160 1.376 1.00 0.00 H new ATOM 0 HD21 ASN A 9 19.552 11.456 3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.209 12.518 3.537 1.00 0.00 H new ATOM 97 N LYS A 10 18.136 9.921 0.403 1.00 0.00 N ATOM 98 CA LYS A 10 17.296 8.718 0.453 1.00 0.00 C ATOM 99 C LYS A 10 15.903 9.055 1.018 1.00 0.00 C ATOM 100 O LYS A 10 15.822 9.775 2.015 1.00 0.00 O ATOM 101 CB LYS A 10 17.959 7.581 1.249 1.00 0.00 C ATOM 102 CG LYS A 10 18.882 6.725 0.361 1.00 0.00 C ATOM 103 CD LYS A 10 19.676 5.721 1.210 1.00 0.00 C ATOM 104 CE LYS A 10 20.860 5.094 0.463 1.00 0.00 C ATOM 105 NZ LYS A 10 20.498 4.024 -0.492 1.00 0.00 N ATOM 0 H LYS A 10 19.020 9.835 0.905 1.00 0.00 H new ATOM 0 HA LYS A 10 17.177 8.359 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.535 8.002 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.189 6.948 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.288 6.191 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.570 7.370 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 10 20.045 6.224 2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 10 19.006 4.929 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 10 21.387 5.880 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 10 21.558 4.687 1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 21.359 3.660 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 20.023 3.251 0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 19.857 4.407 -1.216 1.00 0.00 H new ATOM 119 N PRO A 11 14.829 8.574 0.365 1.00 0.00 N ATOM 120 CA PRO A 11 13.444 8.824 0.746 1.00 0.00 C ATOM 121 C PRO A 11 13.002 7.939 1.927 1.00 0.00 C ATOM 122 O PRO A 11 13.774 7.694 2.853 1.00 0.00 O ATOM 123 CB PRO A 11 12.647 8.632 -0.552 1.00 0.00 C ATOM 124 CG PRO A 11 13.456 7.593 -1.321 1.00 0.00 C ATOM 125 CD PRO A 11 14.888 7.837 -0.889 1.00 0.00 C ATOM 0 HA PRO A 11 13.278 9.827 1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.634 8.283 -0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.559 9.564 -1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.135 6.580 -1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.339 7.715 -2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.418 6.894 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.429 8.405 -1.646 1.00 0.00 H new ATOM 133 N LEU A 12 11.721 7.568 1.970 1.00 0.00 N ATOM 134 CA LEU A 12 11.061 6.860 3.052 1.00 0.00 C ATOM 135 C LEU A 12 11.593 5.430 3.054 1.00 0.00 C ATOM 136 O LEU A 12 11.325 4.686 2.118 1.00 0.00 O ATOM 137 CB LEU A 12 9.529 6.880 2.850 1.00 0.00 C ATOM 138 CG LEU A 12 8.839 8.243 2.611 1.00 0.00 C ATOM 139 CD1 LEU A 12 9.222 9.254 3.694 1.00 0.00 C ATOM 140 CD2 LEU A 12 9.086 8.895 1.241 1.00 0.00 C ATOM 0 H LEU A 12 11.084 7.770 1.200 1.00 0.00 H new ATOM 0 HA LEU A 12 11.267 7.338 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.297 6.237 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.072 6.425 3.729 1.00 0.00 H new ATOM 0 HG LEU A 12 7.779 7.992 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.722 10.203 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.916 8.876 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.301 9.405 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.553 9.844 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.154 9.070 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.727 8.233 0.453 1.00 0.00 H new ATOM 152 N THR A 13 12.396 5.058 4.043 1.00 0.00 N ATOM 153 CA THR A 13 13.072 3.770 4.074 1.00 0.00 C ATOM 154 C THR A 13 12.061 2.613 4.145 1.00 0.00 C ATOM 155 O THR A 13 10.963 2.794 4.664 1.00 0.00 O ATOM 156 CB THR A 13 14.064 3.763 5.250 1.00 0.00 C ATOM 157 OG1 THR A 13 13.531 4.408 6.395 1.00 0.00 O ATOM 158 CG2 THR A 13 15.340 4.508 4.845 1.00 0.00 C ATOM 0 H THR A 13 12.597 5.647 4.851 1.00 0.00 H new ATOM 0 HA THR A 13 13.631 3.620 3.150 1.00 0.00 H new ATOM 0 HB THR A 13 14.271 2.721 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.556 4.305 6.404 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.044 4.504 5.677 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.792 4.014 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.093 5.537 4.584 1.00 0.00 H new ATOM 166 N PRO A 14 12.420 1.398 3.702 1.00 0.00 N ATOM 167 CA PRO A 14 11.473 0.296 3.622 1.00 0.00 C ATOM 168 C PRO A 14 10.959 -0.113 5.007 1.00 0.00 C ATOM 169 O PRO A 14 9.805 -0.498 5.133 1.00 0.00 O ATOM 170 CB PRO A 14 12.187 -0.842 2.887 1.00 0.00 C ATOM 171 CG PRO A 14 13.660 -0.431 2.788 1.00 0.00 C ATOM 172 CD PRO A 14 13.750 1.009 3.284 1.00 0.00 C ATOM 0 HA PRO A 14 10.577 0.586 3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.081 -1.782 3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.758 -0.995 1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.286 -1.088 3.392 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.015 -0.509 1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.453 1.088 4.113 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.114 1.667 2.494 1.00 0.00 H new ATOM 180 N SER A 15 11.766 0.016 6.061 1.00 0.00 N ATOM 181 CA SER A 15 11.369 -0.306 7.426 1.00 0.00 C ATOM 182 C SER A 15 10.486 0.767 8.084 1.00 0.00 C ATOM 183 O SER A 15 10.037 0.552 9.212 1.00 0.00 O ATOM 184 CB SER A 15 12.657 -0.534 8.218 1.00 0.00 C ATOM 185 OG SER A 15 12.432 -0.829 9.578 1.00 0.00 O ATOM 0 H SER A 15 12.726 0.352 5.986 1.00 0.00 H new ATOM 0 HA SER A 15 10.743 -1.198 7.415 1.00 0.00 H new ATOM 0 HB2 SER A 15 13.214 -1.353 7.763 1.00 0.00 H new ATOM 0 HB3 SER A 15 13.282 0.356 8.145 1.00 0.00 H new ATOM 0 HG SER A 15 11.601 -0.401 9.872 1.00 0.00 H new ATOM 191 N THR A 16 10.255 1.918 7.456 1.00 0.00 N ATOM 192 CA THR A 16 9.324 2.921 7.951 1.00 0.00 C ATOM 193 C THR A 16 7.920 2.298 7.948 1.00 0.00 C ATOM 194 O THR A 16 7.539 1.661 6.973 1.00 0.00 O ATOM 195 CB THR A 16 9.473 4.126 7.009 1.00 0.00 C ATOM 196 OG1 THR A 16 10.820 4.583 7.025 1.00 0.00 O ATOM 197 CG2 THR A 16 8.570 5.310 7.313 1.00 0.00 C ATOM 0 H THR A 16 10.714 2.180 6.583 1.00 0.00 H new ATOM 0 HA THR A 16 9.514 3.253 8.972 1.00 0.00 H new ATOM 0 HB THR A 16 9.170 3.751 6.032 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.912 5.350 6.422 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.756 6.104 6.590 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.527 4.998 7.250 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.778 5.678 8.318 1.00 0.00 H new ATOM 205 N TYR A 17 7.138 2.442 9.022 1.00 0.00 N ATOM 206 CA TYR A 17 5.762 1.942 9.045 1.00 0.00 C ATOM 207 C TYR A 17 4.859 2.873 8.229 1.00 0.00 C ATOM 208 O TYR A 17 5.172 4.054 8.076 1.00 0.00 O ATOM 209 CB TYR A 17 5.282 1.839 10.491 1.00 0.00 C ATOM 210 CG TYR A 17 5.888 0.681 11.251 1.00 0.00 C ATOM 211 CD1 TYR A 17 7.117 0.828 11.921 1.00 0.00 C ATOM 212 CD2 TYR A 17 5.213 -0.549 11.284 1.00 0.00 C ATOM 213 CE1 TYR A 17 7.619 -0.223 12.711 1.00 0.00 C ATOM 214 CE2 TYR A 17 5.717 -1.612 12.049 1.00 0.00 C ATOM 215 CZ TYR A 17 6.907 -1.443 12.790 1.00 0.00 C ATOM 216 OH TYR A 17 7.349 -2.462 13.576 1.00 0.00 O ATOM 0 H TYR A 17 7.434 2.900 9.884 1.00 0.00 H new ATOM 0 HA TYR A 17 5.721 0.950 8.596 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.520 2.767 11.010 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.197 1.739 10.498 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.675 1.748 11.829 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.302 -0.678 10.718 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.544 -0.099 13.255 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.196 -2.558 12.071 1.00 0.00 H new ATOM 0 HH TYR A 17 6.732 -3.220 13.506 1.00 0.00 H new ATOM 226 N ILE A 18 3.696 2.398 7.776 1.00 0.00 N ATOM 227 CA ILE A 18 2.804 3.211 6.936 1.00 0.00 C ATOM 228 C ILE A 18 2.330 4.449 7.697 1.00 0.00 C ATOM 229 O ILE A 18 2.439 5.564 7.193 1.00 0.00 O ATOM 230 CB ILE A 18 1.586 2.436 6.377 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.803 0.921 6.215 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.191 3.072 5.032 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.784 0.584 5.104 1.00 0.00 C ATOM 0 H ILE A 18 3.349 1.460 7.974 1.00 0.00 H new ATOM 0 HA ILE A 18 3.401 3.508 6.074 1.00 0.00 H new ATOM 0 HB ILE A 18 0.787 2.520 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.169 0.508 7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.847 0.441 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.333 2.542 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.931 4.119 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.029 3.005 4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.898 -0.498 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.408 0.970 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.751 1.038 5.322 1.00 0.00 H new ATOM 245 N ARG A 19 1.866 4.286 8.941 1.00 0.00 N ATOM 246 CA ARG A 19 1.480 5.425 9.778 1.00 0.00 C ATOM 247 C ARG A 19 2.678 6.279 10.213 1.00 0.00 C ATOM 248 O ARG A 19 2.484 7.344 10.795 1.00 0.00 O ATOM 249 CB ARG A 19 0.682 4.939 10.996 1.00 0.00 C ATOM 250 CG ARG A 19 1.495 3.996 11.899 1.00 0.00 C ATOM 251 CD ARG A 19 1.209 4.244 13.381 1.00 0.00 C ATOM 252 NE ARG A 19 2.253 3.615 14.198 1.00 0.00 N ATOM 253 CZ ARG A 19 2.686 4.036 15.389 1.00 0.00 C ATOM 254 NH1 ARG A 19 2.035 4.979 16.061 1.00 0.00 N ATOM 255 NH2 ARG A 19 3.785 3.511 15.900 1.00 0.00 N ATOM 0 H ARG A 19 1.749 3.377 9.389 1.00 0.00 H new ATOM 0 HA ARG A 19 0.849 6.072 9.169 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.354 5.800 11.578 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.216 4.424 10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.258 2.961 11.651 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.559 4.135 11.706 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.174 5.315 13.580 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.233 3.838 13.646 1.00 0.00 H new ATOM 0 HE ARG A 19 2.690 2.775 13.820 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.190 5.394 15.668 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.380 5.288 16.970 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.294 2.792 15.386 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.125 3.825 16.809 1.00 0.00 H new ATOM 269 N ASN A 20 3.914 5.815 10.001 1.00 0.00 N ATOM 270 CA ASN A 20 5.102 6.623 10.245 1.00 0.00 C ATOM 271 C ASN A 20 5.300 7.611 9.104 1.00 0.00 C ATOM 272 O ASN A 20 5.901 8.662 9.331 1.00 0.00 O ATOM 273 CB ASN A 20 6.364 5.763 10.389 1.00 0.00 C ATOM 274 CG ASN A 20 7.124 6.088 11.659 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.955 6.992 11.694 1.00 0.00 O ATOM 276 ND2 ASN A 20 6.884 5.337 12.717 1.00 0.00 N ATOM 0 H ASN A 20 4.113 4.875 9.658 1.00 0.00 H new ATOM 0 HA ASN A 20 4.945 7.154 11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.087 4.709 10.391 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.012 5.921 9.527 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.393 5.502 13.586 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.190 4.592 12.666 1.00 0.00 H new ATOM 283 N LEU A 21 4.807 7.294 7.897 1.00 0.00 N ATOM 284 CA LEU A 21 4.775 8.234 6.787 1.00 0.00 C ATOM 285 C LEU A 21 4.013 9.469 7.228 1.00 0.00 C ATOM 286 O LEU A 21 3.102 9.396 8.051 1.00 0.00 O ATOM 287 CB LEU A 21 4.088 7.670 5.523 1.00 0.00 C ATOM 288 CG LEU A 21 4.759 6.461 4.840 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.146 6.259 3.451 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.248 6.764 4.659 1.00 0.00 C ATOM 0 H LEU A 21 4.422 6.377 7.672 1.00 0.00 H new ATOM 0 HA LEU A 21 5.809 8.454 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.070 7.386 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.014 8.474 4.791 1.00 0.00 H new ATOM 0 HG LEU A 21 4.615 5.570 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.618 5.405 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.076 6.075 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.307 7.153 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.736 5.917 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.366 7.652 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.705 6.939 5.633 1.00 0.00 H new ATOM 302 N ASN A 22 4.400 10.615 6.678 1.00 0.00 N ATOM 303 CA ASN A 22 3.774 11.869 7.049 1.00 0.00 C ATOM 304 C ASN A 22 2.531 12.112 6.215 1.00 0.00 C ATOM 305 O ASN A 22 2.514 11.755 5.033 1.00 0.00 O ATOM 306 CB ASN A 22 4.735 13.034 6.794 1.00 0.00 C ATOM 307 CG ASN A 22 4.445 14.198 7.730 1.00 0.00 C ATOM 308 OD1 ASN A 22 3.738 14.078 8.719 1.00 0.00 O ATOM 309 ND2 ASN A 22 4.971 15.356 7.418 1.00 0.00 N ATOM 0 H ASN A 22 5.139 10.697 5.980 1.00 0.00 H new ATOM 0 HA ASN A 22 3.514 11.808 8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.763 12.699 6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.645 13.364 5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.792 16.172 8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.560 15.442 6.589 1.00 0.00 H new ATOM 316 N VAL A 23 1.593 12.889 6.747 1.00 0.00 N ATOM 317 CA VAL A 23 0.420 13.386 6.043 1.00 0.00 C ATOM 318 C VAL A 23 0.802 14.147 4.757 1.00 0.00 C ATOM 319 O VAL A 23 0.010 14.219 3.818 1.00 0.00 O ATOM 320 CB VAL A 23 -0.422 14.194 7.048 1.00 0.00 C ATOM 321 CG1 VAL A 23 0.290 15.456 7.543 1.00 0.00 C ATOM 322 CG2 VAL A 23 -1.799 14.534 6.481 1.00 0.00 C ATOM 0 H VAL A 23 1.632 13.201 7.717 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.195 12.565 5.676 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.558 13.548 7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.352 15.983 8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.221 15.178 8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.509 16.106 6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.365 15.104 7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.683 15.127 5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.333 13.613 6.246 1.00 0.00 H new ATOM 332 N GLY A 24 2.027 14.676 4.661 1.00 0.00 N ATOM 333 CA GLY A 24 2.567 15.250 3.438 1.00 0.00 C ATOM 334 C GLY A 24 2.679 14.207 2.324 1.00 0.00 C ATOM 335 O GLY A 24 2.095 14.386 1.254 1.00 0.00 O ATOM 0 H GLY A 24 2.676 14.715 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.928 16.068 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.550 15.675 3.639 1.00 0.00 H new ATOM 339 N ILE A 25 3.412 13.122 2.576 1.00 0.00 N ATOM 340 CA ILE A 25 3.617 12.011 1.652 1.00 0.00 C ATOM 341 C ILE A 25 2.273 11.333 1.377 1.00 0.00 C ATOM 342 O ILE A 25 2.015 10.948 0.247 1.00 0.00 O ATOM 343 CB ILE A 25 4.652 11.023 2.243 1.00 0.00 C ATOM 344 CG1 ILE A 25 6.054 11.661 2.383 1.00 0.00 C ATOM 345 CG2 ILE A 25 4.809 9.767 1.361 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.295 12.528 3.619 1.00 0.00 C ATOM 0 H ILE A 25 3.897 12.990 3.464 1.00 0.00 H new ATOM 0 HA ILE A 25 4.014 12.374 0.704 1.00 0.00 H new ATOM 0 HB ILE A 25 4.265 10.754 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.794 10.860 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.240 12.270 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.544 9.098 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.850 9.254 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.144 10.061 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.314 12.915 3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.591 13.360 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.153 11.928 4.518 1.00 0.00 H new ATOM 358 N LEU A 26 1.403 11.208 2.388 1.00 0.00 N ATOM 359 CA LEU A 26 0.104 10.542 2.282 1.00 0.00 C ATOM 360 C LEU A 26 -0.901 11.294 1.391 1.00 0.00 C ATOM 361 O LEU A 26 -1.954 10.762 1.056 1.00 0.00 O ATOM 362 CB LEU A 26 -0.474 10.356 3.690 1.00 0.00 C ATOM 363 CG LEU A 26 0.258 9.325 4.586 1.00 0.00 C ATOM 364 CD1 LEU A 26 -0.298 9.371 6.019 1.00 0.00 C ATOM 365 CD2 LEU A 26 0.251 7.883 4.068 1.00 0.00 C ATOM 0 H LEU A 26 1.589 11.576 3.321 1.00 0.00 H new ATOM 0 HA LEU A 26 0.271 9.579 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.465 11.321 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.517 10.054 3.598 1.00 0.00 H new ATOM 0 HG LEU A 26 1.304 9.632 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.226 8.641 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.153 10.368 6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.362 9.136 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.789 7.243 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.778 7.535 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.737 7.844 3.093 1.00 0.00 H new ATOM 377 N ARG A 27 -0.615 12.528 0.990 1.00 0.00 N ATOM 378 CA ARG A 27 -1.282 13.160 -0.154 1.00 0.00 C ATOM 379 C ARG A 27 -0.608 12.814 -1.478 1.00 0.00 C ATOM 380 O ARG A 27 -1.284 12.545 -2.464 1.00 0.00 O ATOM 381 CB ARG A 27 -1.336 14.675 0.046 1.00 0.00 C ATOM 382 CG ARG A 27 -2.257 15.040 1.221 1.00 0.00 C ATOM 383 CD ARG A 27 -3.273 16.098 0.802 1.00 0.00 C ATOM 384 NE ARG A 27 -2.658 17.421 0.596 1.00 0.00 N ATOM 385 CZ ARG A 27 -3.295 18.531 0.213 1.00 0.00 C ATOM 386 NH1 ARG A 27 -4.582 18.496 -0.100 1.00 0.00 N ATOM 387 NH2 ARG A 27 -2.631 19.679 0.154 1.00 0.00 N ATOM 0 H ARG A 27 0.081 13.120 1.443 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.297 12.767 -0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.332 15.057 0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.695 15.154 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.777 14.149 1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.661 15.411 2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.763 15.782 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.047 16.176 1.565 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.654 17.496 0.761 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.095 17.616 -0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.059 19.349 -0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.642 19.709 0.400 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.110 20.531 -0.138 1.00 0.00 H new ATOM 401 N LYS A 28 0.722 12.827 -1.532 1.00 0.00 N ATOM 402 CA LYS A 28 1.473 12.602 -2.767 1.00 0.00 C ATOM 403 C LYS A 28 1.369 11.184 -3.289 1.00 0.00 C ATOM 404 O LYS A 28 1.369 10.974 -4.494 1.00 0.00 O ATOM 405 CB LYS A 28 2.943 12.920 -2.508 1.00 0.00 C ATOM 406 CG LYS A 28 3.137 14.424 -2.351 1.00 0.00 C ATOM 407 CD LYS A 28 4.578 14.804 -2.706 1.00 0.00 C ATOM 408 CE LYS A 28 4.868 14.916 -4.214 1.00 0.00 C ATOM 409 NZ LYS A 28 4.217 16.090 -4.836 1.00 0.00 N ATOM 0 H LYS A 28 1.313 12.995 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 28 1.041 13.253 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.280 12.407 -1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.553 12.551 -3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.441 14.959 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.915 14.723 -1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.813 15.758 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.250 14.061 -2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.945 14.979 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.526 14.009 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.459 16.126 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.185 16.012 -4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.548 16.958 -4.369 1.00 0.00 H new ATOM 423 N LEU A 29 1.324 10.220 -2.388 1.00 0.00 N ATOM 424 CA LEU A 29 0.982 8.839 -2.700 1.00 0.00 C ATOM 425 C LEU A 29 -0.430 8.795 -3.297 1.00 0.00 C ATOM 426 O LEU A 29 -0.607 8.304 -4.406 1.00 0.00 O ATOM 427 CB LEU A 29 1.129 7.983 -1.434 1.00 0.00 C ATOM 428 CG LEU A 29 2.468 7.253 -1.279 1.00 0.00 C ATOM 429 CD1 LEU A 29 2.400 5.929 -2.039 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.696 8.050 -1.724 1.00 0.00 C ATOM 0 H LEU A 29 1.527 10.375 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 29 1.660 8.423 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.983 8.624 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.329 7.243 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 29 2.607 7.096 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.348 5.401 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.597 5.316 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.207 6.124 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.593 7.449 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.601 8.306 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.770 8.964 -1.135 1.00 0.00 H new ATOM 442 N SER A 30 -1.427 9.347 -2.601 1.00 0.00 N ATOM 443 CA SER A 30 -2.819 9.421 -3.029 1.00 0.00 C ATOM 444 C SER A 30 -2.976 10.103 -4.390 1.00 0.00 C ATOM 445 O SER A 30 -3.869 9.703 -5.139 1.00 0.00 O ATOM 446 CB SER A 30 -3.627 10.101 -1.914 1.00 0.00 C ATOM 447 OG SER A 30 -4.851 10.633 -2.370 1.00 0.00 O ATOM 0 H SER A 30 -1.276 9.771 -1.686 1.00 0.00 H new ATOM 0 HA SER A 30 -3.210 8.416 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.823 9.378 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.030 10.901 -1.475 1.00 0.00 H new ATOM 0 HG SER A 30 -5.331 9.953 -2.887 1.00 0.00 H new ATOM 453 N ASP A 31 -2.095 11.039 -4.762 1.00 0.00 N ATOM 454 CA ASP A 31 -2.099 11.642 -6.095 1.00 0.00 C ATOM 455 C ASP A 31 -2.126 10.561 -7.174 1.00 0.00 C ATOM 456 O ASP A 31 -2.772 10.762 -8.206 1.00 0.00 O ATOM 457 CB ASP A 31 -0.912 12.587 -6.326 1.00 0.00 C ATOM 458 CG ASP A 31 -1.035 13.951 -5.664 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.157 14.450 -5.416 1.00 0.00 O ATOM 460 OD2 ASP A 31 0.025 14.586 -5.440 1.00 0.00 O ATOM 0 H ASP A 31 -1.363 11.397 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.005 12.244 -6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.006 12.103 -5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.786 12.731 -7.399 1.00 0.00 H new ATOM 465 N PHE A 32 -1.473 9.422 -6.921 1.00 0.00 N ATOM 466 CA PHE A 32 -1.285 8.317 -7.849 1.00 0.00 C ATOM 467 C PHE A 32 -2.149 7.088 -7.504 1.00 0.00 C ATOM 468 O PHE A 32 -2.361 6.258 -8.385 1.00 0.00 O ATOM 469 CB PHE A 32 0.210 7.934 -7.858 1.00 0.00 C ATOM 470 CG PHE A 32 1.225 9.074 -7.840 1.00 0.00 C ATOM 471 CD1 PHE A 32 1.002 10.269 -8.554 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.402 8.941 -7.078 1.00 0.00 C ATOM 473 CE1 PHE A 32 1.915 11.333 -8.455 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.346 9.980 -7.037 1.00 0.00 C ATOM 475 CZ PHE A 32 3.096 11.186 -7.709 1.00 0.00 C ATOM 0 H PHE A 32 -1.041 9.243 -6.014 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.607 8.647 -8.837 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.401 7.299 -6.993 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.398 7.329 -8.745 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.127 10.367 -9.179 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.580 8.033 -6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.708 12.268 -8.955 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.266 9.850 -6.487 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.807 11.997 -7.653 1.00 0.00 H new ATOM 485 N ILE A 33 -2.616 6.939 -6.258 1.00 0.00 N ATOM 486 CA ILE A 33 -3.297 5.727 -5.773 1.00 0.00 C ATOM 487 C ILE A 33 -4.825 5.889 -5.748 1.00 0.00 C ATOM 488 O ILE A 33 -5.545 4.896 -5.872 1.00 0.00 O ATOM 489 CB ILE A 33 -2.739 5.348 -4.380 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.227 5.032 -4.386 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.462 4.155 -3.733 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.867 3.726 -5.097 1.00 0.00 C ATOM 0 H ILE A 33 -2.531 7.665 -5.547 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.093 4.914 -6.470 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.920 6.246 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.696 5.854 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.872 4.983 -3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.019 3.945 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.518 4.394 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.363 3.279 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.212 3.576 -5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.367 2.893 -4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.189 3.777 -6.137 1.00 0.00 H new ATOM 504 N ASP A 34 -5.329 7.115 -5.578 1.00 0.00 N ATOM 505 CA ASP A 34 -6.760 7.398 -5.710 1.00 0.00 C ATOM 506 C ASP A 34 -7.246 7.039 -7.128 1.00 0.00 C ATOM 507 O ASP A 34 -8.187 6.243 -7.241 1.00 0.00 O ATOM 508 CB ASP A 34 -7.089 8.857 -5.346 1.00 0.00 C ATOM 509 CG ASP A 34 -7.507 9.047 -3.888 1.00 0.00 C ATOM 510 OD1 ASP A 34 -6.673 8.866 -2.960 1.00 0.00 O ATOM 511 OD2 ASP A 34 -8.686 9.406 -3.677 1.00 0.00 O ATOM 0 H ASP A 34 -4.763 7.931 -5.347 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.298 6.772 -4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.217 9.478 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.891 9.212 -5.994 1.00 0.00 H new ATOM 516 N PRO A 35 -6.637 7.567 -8.215 1.00 0.00 N ATOM 517 CA PRO A 35 -6.981 7.162 -9.576 1.00 0.00 C ATOM 518 C PRO A 35 -6.531 5.723 -9.858 1.00 0.00 C ATOM 519 O PRO A 35 -5.901 5.073 -9.020 1.00 0.00 O ATOM 520 CB PRO A 35 -6.289 8.180 -10.494 1.00 0.00 C ATOM 521 CG PRO A 35 -5.067 8.602 -9.689 1.00 0.00 C ATOM 522 CD PRO A 35 -5.602 8.596 -8.261 1.00 0.00 C ATOM 0 HA PRO A 35 -8.058 7.160 -9.741 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.008 7.735 -11.449 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.937 9.028 -10.716 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.237 7.907 -9.815 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.706 9.587 -9.984 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.806 8.379 -7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.011 9.571 -7.995 1.00 0.00 H new ATOM 530 N GLN A 36 -6.850 5.223 -11.058 1.00 0.00 N ATOM 531 CA GLN A 36 -6.472 3.892 -11.544 1.00 0.00 C ATOM 532 C GLN A 36 -6.972 2.754 -10.632 1.00 0.00 C ATOM 533 O GLN A 36 -6.556 1.608 -10.815 1.00 0.00 O ATOM 534 CB GLN A 36 -4.947 3.862 -11.805 1.00 0.00 C ATOM 535 CG GLN A 36 -4.546 4.689 -13.038 1.00 0.00 C ATOM 536 CD GLN A 36 -3.106 5.188 -12.967 1.00 0.00 C ATOM 537 OE1 GLN A 36 -2.172 4.471 -12.593 1.00 0.00 O ATOM 538 NE2 GLN A 36 -2.910 6.455 -13.279 1.00 0.00 N ATOM 0 H GLN A 36 -7.396 5.751 -11.739 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.978 3.704 -12.491 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.424 4.245 -10.929 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.625 2.830 -11.943 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.673 4.082 -13.935 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.218 5.542 -13.133 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.693 7.032 -13.586 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.975 6.858 -13.213 1.00 0.00 H new ATOM 547 N GLU A 37 -7.864 3.050 -9.670 1.00 0.00 N ATOM 548 CA GLU A 37 -8.281 2.163 -8.586 1.00 0.00 C ATOM 549 C GLU A 37 -7.074 1.556 -7.858 1.00 0.00 C ATOM 550 O GLU A 37 -7.169 0.464 -7.294 1.00 0.00 O ATOM 551 CB GLU A 37 -9.335 1.161 -9.106 1.00 0.00 C ATOM 552 CG GLU A 37 -10.713 1.840 -9.132 1.00 0.00 C ATOM 553 CD GLU A 37 -11.629 1.296 -10.225 1.00 0.00 C ATOM 554 OE1 GLU A 37 -11.438 1.703 -11.392 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.573 0.528 -9.909 1.00 0.00 O ATOM 0 H GLU A 37 -8.331 3.956 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.785 2.730 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.066 0.819 -10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.363 0.280 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.195 1.707 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.580 2.912 -9.278 1.00 0.00 H new ATOM 562 N GLY A 38 -5.948 2.283 -7.821 1.00 0.00 N ATOM 563 CA GLY A 38 -4.725 1.863 -7.155 1.00 0.00 C ATOM 564 C GLY A 38 -5.002 1.457 -5.710 1.00 0.00 C ATOM 565 O GLY A 38 -4.464 0.455 -5.245 1.00 0.00 O ATOM 0 H GLY A 38 -5.869 3.198 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.282 1.025 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.998 2.675 -7.176 1.00 0.00 H new ATOM 569 N TRP A 39 -5.867 2.189 -5.004 1.00 0.00 N ATOM 570 CA TRP A 39 -6.231 1.868 -3.634 1.00 0.00 C ATOM 571 C TRP A 39 -6.957 0.527 -3.543 1.00 0.00 C ATOM 572 O TRP A 39 -6.607 -0.288 -2.695 1.00 0.00 O ATOM 573 CB TRP A 39 -7.078 2.979 -3.016 1.00 0.00 C ATOM 574 CG TRP A 39 -8.458 3.160 -3.566 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.805 3.949 -4.607 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.690 2.528 -3.103 1.00 0.00 C ATOM 577 NE1 TRP A 39 -10.166 3.852 -4.819 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.763 2.985 -3.921 1.00 0.00 C ATOM 579 CE3 TRP A 39 -9.993 1.579 -2.100 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -12.079 2.537 -3.726 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.310 1.125 -1.901 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.356 1.640 -2.681 1.00 0.00 C ATOM 0 H TRP A 39 -6.331 3.020 -5.372 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.305 1.784 -3.065 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.161 2.788 -1.946 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.540 3.920 -3.131 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.125 4.559 -5.183 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.669 4.357 -5.548 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.200 1.196 -1.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.872 2.879 -4.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.516 0.379 -1.147 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.375 1.347 -2.478 1.00 0.00 H new ATOM 593 N LYS A 40 -7.956 0.274 -4.399 1.00 0.00 N ATOM 594 CA LYS A 40 -8.683 -0.996 -4.404 1.00 0.00 C ATOM 595 C LYS A 40 -7.704 -2.124 -4.669 1.00 0.00 C ATOM 596 O LYS A 40 -7.786 -3.175 -4.040 1.00 0.00 O ATOM 597 CB LYS A 40 -9.814 -1.010 -5.462 1.00 0.00 C ATOM 598 CG LYS A 40 -11.177 -0.913 -4.770 1.00 0.00 C ATOM 599 CD LYS A 40 -12.409 -1.133 -5.651 1.00 0.00 C ATOM 600 CE LYS A 40 -12.697 0.004 -6.621 1.00 0.00 C ATOM 601 NZ LYS A 40 -13.809 -0.301 -7.555 1.00 0.00 N ATOM 0 H LYS A 40 -8.279 0.940 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.153 -1.127 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.687 -0.177 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.760 -1.925 -6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.201 -1.643 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.257 0.073 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.275 -2.054 -6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.279 -1.277 -5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.940 0.904 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.796 0.222 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.539 -0.020 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.009 -1.321 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.659 0.224 -7.266 1.00 0.00 H new ATOM 615 N LYS A 41 -6.766 -1.892 -5.583 1.00 0.00 N ATOM 616 CA LYS A 41 -5.798 -2.886 -6.000 1.00 0.00 C ATOM 617 C LYS A 41 -4.872 -3.190 -4.831 1.00 0.00 C ATOM 618 O LYS A 41 -4.672 -4.354 -4.504 1.00 0.00 O ATOM 619 CB LYS A 41 -5.073 -2.384 -7.244 1.00 0.00 C ATOM 620 CG LYS A 41 -5.970 -2.489 -8.480 1.00 0.00 C ATOM 621 CD LYS A 41 -5.377 -1.644 -9.602 1.00 0.00 C ATOM 622 CE LYS A 41 -6.178 -1.827 -10.890 1.00 0.00 C ATOM 623 NZ LYS A 41 -5.740 -0.858 -11.910 1.00 0.00 N ATOM 0 H LYS A 41 -6.661 -0.995 -6.057 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.277 -3.825 -6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.768 -1.348 -7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.164 -2.965 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.053 -3.529 -8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.977 -2.146 -8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.377 -0.593 -9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.338 -1.928 -9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.049 -2.842 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.241 -1.695 -10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.195 -1.081 -12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.009 0.102 -11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.707 -0.911 -12.018 1.00 0.00 H new ATOM 637 N LEU A 42 -4.333 -2.166 -4.167 1.00 0.00 N ATOM 638 CA LEU A 42 -3.485 -2.302 -2.999 1.00 0.00 C ATOM 639 C LEU A 42 -4.233 -3.047 -1.888 1.00 0.00 C ATOM 640 O LEU A 42 -3.712 -4.009 -1.335 1.00 0.00 O ATOM 641 CB LEU A 42 -3.040 -0.877 -2.630 1.00 0.00 C ATOM 642 CG LEU A 42 -1.941 -0.716 -1.573 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.529 -0.340 -0.217 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.946 -1.877 -1.475 1.00 0.00 C ATOM 0 H LEU A 42 -4.483 -1.195 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.597 -2.908 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.700 -0.387 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.918 -0.332 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.331 0.114 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.725 -0.233 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.068 0.603 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.215 -1.121 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.212 -1.662 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.480 -2.794 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.437 -2.002 -2.431 1.00 0.00 H new ATOM 656 N ALA A 43 -5.485 -2.678 -1.614 1.00 0.00 N ATOM 657 CA ALA A 43 -6.320 -3.360 -0.636 1.00 0.00 C ATOM 658 C ALA A 43 -6.470 -4.862 -0.911 1.00 0.00 C ATOM 659 O ALA A 43 -6.377 -5.644 0.036 1.00 0.00 O ATOM 660 CB ALA A 43 -7.686 -2.690 -0.578 1.00 0.00 C ATOM 0 H ALA A 43 -5.947 -1.891 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.820 -3.276 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.311 -3.201 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.567 -1.646 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.159 -2.743 -1.559 1.00 0.00 H new ATOM 666 N VAL A 44 -6.726 -5.299 -2.153 1.00 0.00 N ATOM 667 CA VAL A 44 -6.815 -6.719 -2.464 1.00 0.00 C ATOM 668 C VAL A 44 -5.433 -7.376 -2.517 1.00 0.00 C ATOM 669 O VAL A 44 -5.331 -8.595 -2.367 1.00 0.00 O ATOM 670 CB VAL A 44 -7.600 -6.936 -3.768 1.00 0.00 C ATOM 671 CG1 VAL A 44 -9.051 -6.446 -3.689 1.00 0.00 C ATOM 672 CG2 VAL A 44 -6.969 -6.367 -5.038 1.00 0.00 C ATOM 0 H VAL A 44 -6.874 -4.684 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.361 -7.207 -1.657 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.570 -8.022 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.549 -6.628 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.574 -6.983 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.063 -5.378 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.612 -6.581 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.852 -5.288 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.992 -6.825 -5.196 1.00 0.00 H new ATOM 682 N ALA A 45 -4.372 -6.595 -2.733 1.00 0.00 N ATOM 683 CA ALA A 45 -3.007 -7.100 -2.748 1.00 0.00 C ATOM 684 C ALA A 45 -2.566 -7.463 -1.331 1.00 0.00 C ATOM 685 O ALA A 45 -1.778 -8.387 -1.153 1.00 0.00 O ATOM 686 CB ALA A 45 -2.064 -6.051 -3.352 1.00 0.00 C ATOM 0 H ALA A 45 -4.441 -5.592 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.968 -7.998 -3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.045 -6.438 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.374 -5.828 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.102 -5.140 -2.754 1.00 0.00 H new ATOM 692 N ILE A 46 -3.051 -6.735 -0.322 1.00 0.00 N ATOM 693 CA ILE A 46 -2.676 -6.921 1.070 1.00 0.00 C ATOM 694 C ILE A 46 -3.341 -8.187 1.601 1.00 0.00 C ATOM 695 O ILE A 46 -4.557 -8.250 1.816 1.00 0.00 O ATOM 696 CB ILE A 46 -3.036 -5.674 1.901 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.145 -4.487 1.487 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.803 -5.925 3.397 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.755 -3.136 1.846 1.00 0.00 C ATOM 0 H ILE A 46 -3.729 -5.986 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.596 -7.046 1.152 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.088 -5.453 1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.173 -4.582 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.970 -4.527 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.065 -5.030 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.425 -6.757 3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.754 -6.167 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.083 -2.338 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.714 -3.024 1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.904 -3.079 2.924 1.00 0.00 H new ATOM 711 N LYS A 47 -2.517 -9.188 1.894 1.00 0.00 N ATOM 712 CA LYS A 47 -2.941 -10.386 2.597 1.00 0.00 C ATOM 713 C LYS A 47 -2.260 -10.433 3.951 1.00 0.00 C ATOM 714 O LYS A 47 -1.257 -9.762 4.194 1.00 0.00 O ATOM 715 CB LYS A 47 -2.621 -11.631 1.761 1.00 0.00 C ATOM 716 CG LYS A 47 -3.666 -11.969 0.686 1.00 0.00 C ATOM 717 CD LYS A 47 -3.827 -10.917 -0.415 1.00 0.00 C ATOM 718 CE LYS A 47 -3.891 -11.502 -1.825 1.00 0.00 C ATOM 719 NZ LYS A 47 -4.978 -12.483 -2.017 1.00 0.00 N ATOM 0 H LYS A 47 -1.528 -9.187 1.646 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.020 -10.366 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.655 -11.488 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.519 -12.485 2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.395 -12.918 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.631 -12.115 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.736 -10.345 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.993 -10.217 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.018 -10.689 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.939 -11.981 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.102 -12.670 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.736 -13.369 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.863 -12.102 -1.625 1.00 0.00 H new ATOM 733 N LYS A 48 -2.819 -11.231 4.849 1.00 0.00 N ATOM 734 CA LYS A 48 -2.195 -11.617 6.099 1.00 0.00 C ATOM 735 C LYS A 48 -0.949 -12.450 5.797 1.00 0.00 C ATOM 736 O LYS A 48 -0.806 -12.970 4.685 1.00 0.00 O ATOM 737 CB LYS A 48 -3.218 -12.418 6.920 1.00 0.00 C ATOM 738 CG LYS A 48 -4.270 -11.494 7.534 1.00 0.00 C ATOM 739 CD LYS A 48 -4.995 -12.146 8.716 1.00 0.00 C ATOM 740 CE LYS A 48 -5.920 -11.083 9.305 1.00 0.00 C ATOM 741 NZ LYS A 48 -6.305 -11.352 10.697 1.00 0.00 N ATOM 0 H LYS A 48 -3.746 -11.638 4.721 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.888 -10.743 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.704 -13.156 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.706 -12.968 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.792 -10.573 7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.998 -11.218 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.564 -13.016 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.282 -12.495 9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.426 -10.113 9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.820 -11.015 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.932 -10.595 11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.803 -12.263 10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.453 -11.389 11.292 1.00 0.00 H new ATOM 755 N PRO A 49 -0.084 -12.678 6.795 1.00 0.00 N ATOM 756 CA PRO A 49 1.065 -13.557 6.651 1.00 0.00 C ATOM 757 C PRO A 49 0.614 -14.950 6.219 1.00 0.00 C ATOM 758 O PRO A 49 1.296 -15.588 5.422 1.00 0.00 O ATOM 759 CB PRO A 49 1.749 -13.564 8.028 1.00 0.00 C ATOM 760 CG PRO A 49 1.267 -12.257 8.665 1.00 0.00 C ATOM 761 CD PRO A 49 -0.162 -12.173 8.154 1.00 0.00 C ATOM 0 HA PRO A 49 1.758 -13.219 5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.456 -14.432 8.619 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.835 -13.592 7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.311 -12.292 9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.866 -11.403 8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.839 -12.772 8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.534 -11.149 8.178 1.00 0.00 H new ATOM 769 N SER A 50 -0.554 -15.404 6.691 1.00 0.00 N ATOM 770 CA SER A 50 -1.135 -16.695 6.354 1.00 0.00 C ATOM 771 C SER A 50 -1.627 -16.761 4.900 1.00 0.00 C ATOM 772 O SER A 50 -1.608 -17.847 4.328 1.00 0.00 O ATOM 773 CB SER A 50 -2.304 -16.980 7.303 1.00 0.00 C ATOM 774 OG SER A 50 -2.110 -16.391 8.587 1.00 0.00 O ATOM 0 H SER A 50 -1.131 -14.863 7.335 1.00 0.00 H new ATOM 0 HA SER A 50 -0.354 -17.447 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.227 -16.598 6.866 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.426 -18.058 7.414 1.00 0.00 H new ATOM 0 HG SER A 50 -2.878 -16.595 9.160 1.00 0.00 H new ATOM 780 N GLY A 51 -1.976 -15.621 4.290 1.00 0.00 N ATOM 781 CA GLY A 51 -2.577 -15.543 2.967 1.00 0.00 C ATOM 782 C GLY A 51 -4.007 -15.000 2.985 1.00 0.00 C ATOM 783 O GLY A 51 -4.553 -14.747 1.912 1.00 0.00 O ATOM 0 H GLY A 51 -1.841 -14.706 4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.961 -14.905 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.578 -16.536 2.516 1.00 0.00 H new ATOM 787 N ASP A 52 -4.620 -14.797 4.157 1.00 0.00 N ATOM 788 CA ASP A 52 -6.015 -14.339 4.249 1.00 0.00 C ATOM 789 C ASP A 52 -6.136 -12.914 3.704 1.00 0.00 C ATOM 790 O ASP A 52 -5.263 -12.095 3.991 1.00 0.00 O ATOM 791 CB ASP A 52 -6.543 -14.321 5.700 1.00 0.00 C ATOM 792 CG ASP A 52 -6.311 -15.604 6.494 1.00 0.00 C ATOM 793 OD1 ASP A 52 -7.005 -16.631 6.290 1.00 0.00 O ATOM 794 OD2 ASP A 52 -5.417 -15.530 7.364 1.00 0.00 O ATOM 0 H ASP A 52 -4.170 -14.943 5.061 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.605 -15.046 3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.071 -13.494 6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.613 -14.116 5.677 1.00 0.00 H new ATOM 799 N ASP A 53 -7.197 -12.573 2.971 1.00 0.00 N ATOM 800 CA ASP A 53 -7.368 -11.230 2.398 1.00 0.00 C ATOM 801 C ASP A 53 -7.714 -10.255 3.547 1.00 0.00 C ATOM 802 O ASP A 53 -8.764 -10.377 4.190 1.00 0.00 O ATOM 803 CB ASP A 53 -8.450 -11.255 1.294 1.00 0.00 C ATOM 804 CG ASP A 53 -7.908 -10.781 -0.058 1.00 0.00 C ATOM 805 OD1 ASP A 53 -7.254 -11.586 -0.758 1.00 0.00 O ATOM 806 OD2 ASP A 53 -8.118 -9.613 -0.449 1.00 0.00 O ATOM 0 H ASP A 53 -7.961 -13.214 2.756 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.449 -10.889 1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.840 -12.268 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.285 -10.621 1.591 1.00 0.00 H new ATOM 811 N ARG A 54 -6.823 -9.310 3.888 1.00 0.00 N ATOM 812 CA ARG A 54 -6.992 -8.398 5.038 1.00 0.00 C ATOM 813 C ARG A 54 -8.288 -7.582 5.015 1.00 0.00 C ATOM 814 O ARG A 54 -8.745 -7.158 6.083 1.00 0.00 O ATOM 815 CB ARG A 54 -5.787 -7.449 5.207 1.00 0.00 C ATOM 816 CG ARG A 54 -4.576 -8.166 5.828 1.00 0.00 C ATOM 817 CD ARG A 54 -3.657 -7.199 6.587 1.00 0.00 C ATOM 818 NE ARG A 54 -2.579 -7.904 7.303 1.00 0.00 N ATOM 819 CZ ARG A 54 -2.577 -8.269 8.592 1.00 0.00 C ATOM 820 NH1 ARG A 54 -3.611 -7.984 9.377 1.00 0.00 N ATOM 821 NH2 ARG A 54 -1.530 -8.927 9.060 1.00 0.00 N ATOM 0 H ARG A 54 -5.958 -9.154 3.371 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.054 -9.065 5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.508 -7.040 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.073 -6.607 5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.925 -8.942 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.008 -8.663 5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.221 -6.488 5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.247 -6.622 7.299 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.748 -8.139 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.415 -7.483 8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.600 -8.266 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.748 -9.146 8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.505 -9.216 10.038 1.00 0.00 H new ATOM 835 N TYR A 55 -8.888 -7.365 3.846 1.00 0.00 N ATOM 836 CA TYR A 55 -10.131 -6.624 3.678 1.00 0.00 C ATOM 837 C TYR A 55 -10.993 -7.425 2.709 1.00 0.00 C ATOM 838 O TYR A 55 -10.467 -8.198 1.907 1.00 0.00 O ATOM 839 CB TYR A 55 -9.822 -5.225 3.122 1.00 0.00 C ATOM 840 CG TYR A 55 -8.759 -4.457 3.884 1.00 0.00 C ATOM 841 CD1 TYR A 55 -9.120 -3.696 5.009 1.00 0.00 C ATOM 842 CD2 TYR A 55 -7.406 -4.532 3.486 1.00 0.00 C ATOM 843 CE1 TYR A 55 -8.132 -3.020 5.741 1.00 0.00 C ATOM 844 CE2 TYR A 55 -6.410 -3.878 4.234 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.772 -3.127 5.376 1.00 0.00 C ATOM 846 OH TYR A 55 -5.817 -2.526 6.136 1.00 0.00 O ATOM 0 H TYR A 55 -8.509 -7.712 2.965 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.655 -6.491 4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.504 -5.324 2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.741 -4.639 3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.155 -3.632 5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.135 -5.093 2.604 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.414 -2.414 6.589 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.374 -3.949 3.937 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.936 -2.885 5.899 1.00 0.00 H new ATOM 856 N ASN A 56 -12.314 -7.266 2.774 1.00 0.00 N ATOM 857 CA ASN A 56 -13.249 -7.813 1.792 1.00 0.00 C ATOM 858 C ASN A 56 -14.055 -6.700 1.145 1.00 0.00 C ATOM 859 O ASN A 56 -13.899 -5.546 1.555 1.00 0.00 O ATOM 860 CB ASN A 56 -14.171 -8.856 2.424 1.00 0.00 C ATOM 861 CG ASN A 56 -14.120 -10.080 1.540 1.00 0.00 C ATOM 862 OD1 ASN A 56 -14.762 -10.093 0.493 1.00 0.00 O ATOM 863 ND2 ASN A 56 -13.301 -11.062 1.873 1.00 0.00 N ATOM 0 H ASN A 56 -12.772 -6.745 3.522 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.668 -8.312 1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.845 -9.097 3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -15.190 -8.476 2.499 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.187 -11.863 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.783 -11.019 2.751 1.00 0.00 H new ATOM 870 N GLN A 57 -14.980 -7.021 0.228 1.00 0.00 N ATOM 871 CA GLN A 57 -15.790 -5.980 -0.389 1.00 0.00 C ATOM 872 C GLN A 57 -16.601 -5.205 0.649 1.00 0.00 C ATOM 873 O GLN A 57 -16.764 -3.997 0.512 1.00 0.00 O ATOM 874 CB GLN A 57 -16.693 -6.459 -1.535 1.00 0.00 C ATOM 875 CG GLN A 57 -15.929 -6.917 -2.782 1.00 0.00 C ATOM 876 CD GLN A 57 -16.695 -6.546 -4.054 1.00 0.00 C ATOM 877 OE1 GLN A 57 -16.718 -5.381 -4.460 1.00 0.00 O ATOM 878 NE2 GLN A 57 -17.334 -7.500 -4.714 1.00 0.00 N ATOM 0 H GLN A 57 -15.177 -7.970 -0.091 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.064 -5.309 -0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.310 -7.283 -1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.370 -5.651 -1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.941 -6.456 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.777 -7.996 -2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.310 -8.461 -4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.850 -7.274 -5.564 1.00 0.00 H new ATOM 887 N PHE A 58 -16.999 -5.861 1.738 1.00 0.00 N ATOM 888 CA PHE A 58 -17.599 -5.244 2.912 1.00 0.00 C ATOM 889 C PHE A 58 -16.812 -4.010 3.381 1.00 0.00 C ATOM 890 O PHE A 58 -17.404 -2.966 3.667 1.00 0.00 O ATOM 891 CB PHE A 58 -17.690 -6.307 4.015 1.00 0.00 C ATOM 892 CG PHE A 58 -18.542 -5.894 5.196 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.942 -5.844 5.058 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.949 -5.578 6.433 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.743 -5.485 6.154 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.755 -5.227 7.531 1.00 0.00 C ATOM 897 CZ PHE A 58 -20.154 -5.182 7.393 1.00 0.00 C ATOM 0 H PHE A 58 -16.908 -6.873 1.827 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.596 -4.882 2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -18.097 -7.224 3.589 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.685 -6.538 4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.400 -6.082 4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.875 -5.605 6.539 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.817 -5.442 6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.299 -4.992 8.481 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.773 -4.915 8.237 1.00 0.00 H new ATOM 907 N HIS A 59 -15.482 -4.117 3.450 1.00 0.00 N ATOM 908 CA HIS A 59 -14.590 -3.049 3.888 1.00 0.00 C ATOM 909 C HIS A 59 -14.197 -2.144 2.719 1.00 0.00 C ATOM 910 O HIS A 59 -13.972 -0.954 2.931 1.00 0.00 O ATOM 911 CB HIS A 59 -13.329 -3.652 4.521 1.00 0.00 C ATOM 912 CG HIS A 59 -13.574 -4.334 5.843 1.00 0.00 C ATOM 913 ND1 HIS A 59 -13.297 -5.648 6.145 1.00 0.00 N ATOM 914 CD2 HIS A 59 -14.076 -3.751 6.979 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.622 -5.849 7.429 1.00 0.00 C ATOM 916 NE2 HIS A 59 -14.092 -4.722 7.988 1.00 0.00 N ATOM 0 H HIS A 59 -14.987 -4.972 3.196 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.119 -2.445 4.626 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.895 -4.372 3.827 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.592 -2.861 4.662 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.401 -2.726 7.078 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.520 -6.792 7.946 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.399 -4.598 8.953 1.00 0.00 H new ATOM 924 N ILE A 60 -14.134 -2.660 1.486 1.00 0.00 N ATOM 925 CA ILE A 60 -13.945 -1.836 0.294 1.00 0.00 C ATOM 926 C ILE A 60 -15.091 -0.837 0.208 1.00 0.00 C ATOM 927 O ILE A 60 -14.818 0.336 0.023 1.00 0.00 O ATOM 928 CB ILE A 60 -13.798 -2.694 -0.981 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.529 -3.573 -0.937 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.813 -1.883 -2.287 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.193 -2.822 -0.885 1.00 0.00 C ATOM 0 H ILE A 60 -14.213 -3.658 1.290 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.008 -1.284 0.373 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.684 -3.329 -0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.592 -4.224 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.527 -4.218 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.705 -2.558 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.757 -1.344 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.988 -1.171 -2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.373 -3.540 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.095 -2.193 -1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.160 -2.199 0.009 1.00 0.00 H new ATOM 943 N ARG A 61 -16.345 -1.243 0.398 1.00 0.00 N ATOM 944 CA ARG A 61 -17.501 -0.348 0.355 1.00 0.00 C ATOM 945 C ARG A 61 -17.391 0.756 1.409 1.00 0.00 C ATOM 946 O ARG A 61 -17.711 1.911 1.124 1.00 0.00 O ATOM 947 CB ARG A 61 -18.785 -1.179 0.499 1.00 0.00 C ATOM 948 CG ARG A 61 -19.090 -1.965 -0.790 1.00 0.00 C ATOM 949 CD ARG A 61 -19.776 -1.120 -1.874 1.00 0.00 C ATOM 950 NE ARG A 61 -21.242 -1.302 -1.866 1.00 0.00 N ATOM 951 CZ ARG A 61 -21.939 -2.134 -2.652 1.00 0.00 C ATOM 952 NH1 ARG A 61 -21.334 -2.917 -3.534 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.261 -2.199 -2.577 1.00 0.00 N ATOM 0 H ARG A 61 -16.590 -2.215 0.589 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.532 0.163 -0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.681 -1.872 1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.622 -0.521 0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.159 -2.368 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.727 -2.815 -0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.540 -0.067 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.381 -1.394 -2.852 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.774 -0.742 -1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.318 -2.894 -3.624 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.884 -3.543 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.764 -1.610 -1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.775 -2.838 -3.183 1.00 0.00 H new ATOM 967 N ARG A 62 -16.898 0.447 2.610 1.00 0.00 N ATOM 968 CA ARG A 62 -16.554 1.421 3.635 1.00 0.00 C ATOM 969 C ARG A 62 -15.472 2.404 3.172 1.00 0.00 C ATOM 970 O ARG A 62 -15.548 3.581 3.518 1.00 0.00 O ATOM 971 CB ARG A 62 -16.156 0.645 4.880 1.00 0.00 C ATOM 972 CG ARG A 62 -16.108 1.539 6.117 1.00 0.00 C ATOM 973 CD ARG A 62 -16.083 0.608 7.325 1.00 0.00 C ATOM 974 NE ARG A 62 -15.454 1.173 8.533 1.00 0.00 N ATOM 975 CZ ARG A 62 -14.351 0.704 9.138 1.00 0.00 C ATOM 976 NH1 ARG A 62 -13.505 -0.097 8.496 1.00 0.00 N ATOM 977 NH2 ARG A 62 -14.100 1.023 10.404 1.00 0.00 N ATOM 0 H ARG A 62 -16.724 -0.515 2.899 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.413 2.054 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.866 -0.165 5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.179 0.187 4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.224 2.177 6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.976 2.198 6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.107 0.322 7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.554 -0.305 7.051 1.00 0.00 H new ATOM 0 HE ARG A 62 -15.897 1.994 8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.690 -0.364 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.672 -0.444 8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.746 1.624 10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.262 0.666 10.863 1.00 0.00 H new ATOM 991 N PHE A 63 -14.480 1.965 2.393 1.00 0.00 N ATOM 992 CA PHE A 63 -13.509 2.862 1.767 1.00 0.00 C ATOM 993 C PHE A 63 -14.132 3.628 0.592 1.00 0.00 C ATOM 994 O PHE A 63 -13.845 4.808 0.446 1.00 0.00 O ATOM 995 CB PHE A 63 -12.251 2.101 1.308 1.00 0.00 C ATOM 996 CG PHE A 63 -11.351 1.533 2.397 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.685 2.388 3.297 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.099 0.147 2.459 1.00 0.00 C ATOM 999 CE1 PHE A 63 -9.827 1.853 4.278 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.218 -0.383 3.417 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.582 0.471 4.332 1.00 0.00 C ATOM 0 H PHE A 63 -14.329 0.979 2.180 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.208 3.586 2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.568 1.278 0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.654 2.774 0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.833 3.456 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.589 -0.516 1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.354 2.510 4.993 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.030 -1.446 3.449 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.908 0.068 5.073 1.00 0.00 H new ATOM 1011 N GLU A 64 -14.995 3.024 -0.229 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.695 3.684 -1.327 1.00 0.00 C ATOM 1013 C GLU A 64 -16.429 4.891 -0.758 1.00 0.00 C ATOM 1014 O GLU A 64 -16.258 5.983 -1.276 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.680 2.755 -2.069 1.00 0.00 C ATOM 1016 CG GLU A 64 -16.024 1.651 -2.908 1.00 0.00 C ATOM 1017 CD GLU A 64 -17.032 0.719 -3.586 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -17.812 1.193 -4.438 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -16.991 -0.509 -3.324 1.00 0.00 O ATOM 0 H GLU A 64 -15.230 2.035 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.957 3.985 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.339 2.290 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.307 3.362 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.396 2.110 -3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.368 1.060 -2.268 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.147 4.745 0.360 1.00 0.00 N ATOM 1027 CA ALA A 65 -17.876 5.840 0.998 1.00 0.00 C ATOM 1028 C ALA A 65 -17.040 7.119 1.152 1.00 0.00 C ATOM 1029 O ALA A 65 -17.587 8.216 1.088 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.384 5.365 2.363 1.00 0.00 C ATOM 0 H ALA A 65 -17.238 3.855 0.850 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.710 6.105 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.930 6.173 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.046 4.510 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.538 5.073 2.985 1.00 0.00 H new ATOM 1036 N LEU A 66 -15.726 6.982 1.331 1.00 0.00 N ATOM 1037 CA LEU A 66 -14.765 8.069 1.418 1.00 0.00 C ATOM 1038 C LEU A 66 -14.684 8.795 0.075 1.00 0.00 C ATOM 1039 O LEU A 66 -14.973 9.990 0.018 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.398 7.509 1.848 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.458 6.669 3.134 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.120 5.973 3.308 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -13.730 7.555 4.356 1.00 0.00 C ATOM 0 H LEU A 66 -15.288 6.066 1.423 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.084 8.793 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.995 6.896 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.705 8.337 1.996 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.268 5.944 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.139 5.370 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.930 5.330 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.329 6.719 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.768 6.936 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.933 8.291 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.683 8.068 4.229 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.327 8.088 -1.006 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.176 8.658 -2.340 1.00 0.00 C ATOM 1057 C LEU A 67 -15.487 9.227 -2.865 1.00 0.00 C ATOM 1058 O LEU A 67 -15.475 10.244 -3.551 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.549 7.624 -3.291 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.459 6.597 -4.004 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -15.128 7.105 -5.284 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.630 5.374 -4.384 1.00 0.00 C ATOM 0 H LEU A 67 -14.133 7.087 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.492 9.504 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.010 8.174 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.807 7.064 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.253 6.375 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.745 6.314 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.753 7.967 -5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.363 7.396 -6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.266 4.646 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.823 5.675 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.208 4.927 -3.484 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.619 8.625 -2.494 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.957 9.076 -2.870 1.00 0.00 C ATOM 1076 C GLN A 68 -18.236 10.473 -2.306 1.00 0.00 C ATOM 1077 O GLN A 68 -19.223 11.104 -2.687 1.00 0.00 O ATOM 1078 CB GLN A 68 -19.007 8.089 -2.323 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.802 6.627 -2.737 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.578 6.152 -3.956 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.787 5.941 -3.896 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -18.894 5.881 -5.053 1.00 0.00 N ATOM 0 H GLN A 68 -16.629 7.789 -1.909 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.015 9.117 -3.958 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.004 8.146 -1.234 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.994 8.410 -2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.740 6.472 -2.927 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.071 5.992 -1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.891 6.062 -5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.369 5.491 -5.867 1.00 0.00 H new ATOM 1091 N THR A 69 -17.436 10.937 -1.347 1.00 0.00 N ATOM 1092 CA THR A 69 -17.486 12.270 -0.783 1.00 0.00 C ATOM 1093 C THR A 69 -16.082 12.911 -0.746 1.00 0.00 C ATOM 1094 O THR A 69 -15.835 13.834 0.036 1.00 0.00 O ATOM 1095 CB THR A 69 -18.281 12.155 0.528 1.00 0.00 C ATOM 1096 OG1 THR A 69 -18.943 13.366 0.823 1.00 0.00 O ATOM 1097 CG2 THR A 69 -17.477 11.583 1.693 1.00 0.00 C ATOM 0 H THR A 69 -16.705 10.362 -0.928 1.00 0.00 H new ATOM 0 HA THR A 69 -18.021 12.997 -1.394 1.00 0.00 H new ATOM 0 HB THR A 69 -19.054 11.404 0.367 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.444 13.270 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 69 -18.107 11.534 2.581 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.130 10.582 1.439 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.619 12.225 1.893 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.147 12.437 -1.578 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.855 13.061 -1.821 1.00 0.00 C ATOM 1107 C GLY A 70 -12.836 12.937 -0.690 1.00 0.00 C ATOM 1108 O GLY A 70 -11.769 13.553 -0.791 1.00 0.00 O ATOM 0 H GLY A 70 -15.280 11.580 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.425 12.624 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.016 14.119 -2.026 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.111 12.214 0.403 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.048 11.830 1.329 1.00 0.00 C ATOM 1114 C LYS A 71 -11.230 10.754 0.623 1.00 0.00 C ATOM 1115 O LYS A 71 -11.819 9.855 0.033 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.615 11.278 2.641 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.528 12.258 3.395 1.00 0.00 C ATOM 1118 CD LYS A 71 -13.247 12.316 4.899 1.00 0.00 C ATOM 1119 CE LYS A 71 -13.193 10.930 5.560 1.00 0.00 C ATOM 1120 NZ LYS A 71 -12.926 10.998 7.014 1.00 0.00 N ATOM 0 H LYS A 71 -14.043 11.890 0.661 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.442 12.698 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.176 10.368 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.787 10.997 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.407 13.255 2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.567 11.969 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.299 12.828 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.020 12.912 5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.139 10.416 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.417 10.334 5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.900 10.036 7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.010 11.463 7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.679 11.543 7.480 1.00 0.00 H new ATOM 1134 N SER A 72 -9.901 10.796 0.689 1.00 0.00 N ATOM 1135 CA SER A 72 -9.111 9.754 0.050 1.00 0.00 C ATOM 1136 C SER A 72 -9.317 8.417 0.761 1.00 0.00 C ATOM 1137 O SER A 72 -8.962 8.318 1.945 1.00 0.00 O ATOM 1138 CB SER A 72 -7.632 10.124 0.053 1.00 0.00 C ATOM 1139 OG SER A 72 -7.398 11.002 -1.016 1.00 0.00 O ATOM 0 H SER A 72 -9.363 11.520 1.165 1.00 0.00 H new ATOM 0 HA SER A 72 -9.445 9.658 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.360 10.594 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.016 9.230 -0.047 1.00 0.00 H new ATOM 0 HG SER A 72 -6.529 10.799 -1.422 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.777 7.370 0.052 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.699 6.012 0.543 1.00 0.00 C ATOM 1147 C PRO A 73 -8.244 5.603 0.681 1.00 0.00 C ATOM 1148 O PRO A 73 -7.953 4.910 1.642 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.435 5.151 -0.482 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.212 5.910 -1.783 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.192 7.368 -1.343 1.00 0.00 C ATOM 0 HA PRO A 73 -10.152 5.899 1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.028 4.141 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.495 5.057 -0.245 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.276 5.622 -2.261 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.009 5.718 -2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.502 7.949 -1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.177 7.821 -1.456 1.00 0.00 H new ATOM 1159 N THR A 74 -7.323 6.086 -0.165 1.00 0.00 N ATOM 1160 CA THR A 74 -5.908 5.832 -0.001 1.00 0.00 C ATOM 1161 C THR A 74 -5.461 6.168 1.418 1.00 0.00 C ATOM 1162 O THR A 74 -4.704 5.405 2.016 1.00 0.00 O ATOM 1163 CB THR A 74 -5.111 6.662 -1.012 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.631 6.503 -2.313 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.646 6.219 -0.966 1.00 0.00 C ATOM 0 H THR A 74 -7.550 6.661 -0.976 1.00 0.00 H new ATOM 0 HA THR A 74 -5.722 4.773 -0.178 1.00 0.00 H new ATOM 0 HB THR A 74 -5.187 7.718 -0.752 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.258 7.231 -2.506 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.067 6.802 -1.682 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.249 6.377 0.037 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.578 5.161 -1.220 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.873 7.325 1.948 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.385 7.715 3.258 1.00 0.00 C ATOM 1175 C CYS A 75 -5.917 6.849 4.369 1.00 0.00 C ATOM 1176 O CYS A 75 -5.128 6.367 5.177 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.511 9.221 3.448 1.00 0.00 C ATOM 1178 SG CYS A 75 -5.190 9.816 5.130 1.00 0.00 S ATOM 0 H CYS A 75 -6.518 7.979 1.505 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.315 7.514 3.313 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.819 9.716 2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.517 9.525 3.158 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.325 11.108 5.166 1.00 0.00 H new ATOM 1184 N GLU A 76 -7.211 6.620 4.395 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.754 5.710 5.391 1.00 0.00 C ATOM 1186 C GLU A 76 -7.162 4.309 5.252 1.00 0.00 C ATOM 1187 O GLU A 76 -6.769 3.723 6.252 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.277 5.657 5.214 1.00 0.00 C ATOM 1189 CG GLU A 76 -10.018 6.759 5.970 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.882 6.616 7.482 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -8.864 7.067 8.048 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -10.847 6.143 8.123 1.00 0.00 O ATOM 0 H GLU A 76 -7.893 7.035 3.761 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.495 6.074 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.514 5.733 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.641 4.687 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.631 7.731 5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.073 6.736 5.699 1.00 0.00 H new ATOM 1199 N LEU A 77 -7.077 3.785 4.033 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.562 2.458 3.734 1.00 0.00 C ATOM 1201 C LEU A 77 -5.128 2.321 4.233 1.00 0.00 C ATOM 1202 O LEU A 77 -4.824 1.375 4.960 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.687 2.195 2.225 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.939 0.947 1.743 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.466 -0.369 2.319 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.907 0.903 0.225 1.00 0.00 C ATOM 0 H LEU A 77 -7.376 4.292 3.200 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.149 1.702 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.742 2.094 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.311 3.063 1.683 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.924 1.041 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.880 -1.199 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.383 -0.350 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.511 -0.497 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.372 0.011 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.926 0.877 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.399 1.790 -0.154 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.235 3.232 3.839 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.851 3.184 4.259 1.00 0.00 C ATOM 1220 C LEU A 78 -2.740 3.347 5.781 1.00 0.00 C ATOM 1221 O LEU A 78 -1.957 2.640 6.414 1.00 0.00 O ATOM 1222 CB LEU A 78 -2.062 4.297 3.551 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.677 4.029 2.080 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.592 5.032 1.681 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -1.162 2.620 1.770 1.00 0.00 C ATOM 0 H LEU A 78 -4.458 4.015 3.224 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.434 2.214 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.652 5.213 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.148 4.482 4.116 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.601 4.135 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.303 4.862 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.977 6.046 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.277 4.903 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.922 2.545 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.266 2.422 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.930 1.888 2.021 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.508 4.276 6.363 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.403 4.620 7.778 1.00 0.00 C ATOM 1239 C PHE A 79 -3.947 3.496 8.671 1.00 0.00 C ATOM 1240 O PHE A 79 -3.397 3.223 9.741 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.138 5.942 8.048 1.00 0.00 C ATOM 1242 CG PHE A 79 -3.855 6.520 9.415 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -2.665 7.237 9.656 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -4.775 6.301 10.456 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -2.407 7.748 10.944 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -4.500 6.790 11.747 1.00 0.00 C ATOM 1247 CZ PHE A 79 -3.322 7.525 11.991 1.00 0.00 C ATOM 0 H PHE A 79 -4.219 4.808 5.862 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.349 4.745 8.025 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.852 6.669 7.288 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.211 5.780 7.946 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.955 7.394 8.858 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.690 5.759 10.265 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.505 8.312 11.129 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.194 6.602 12.553 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.122 7.916 12.978 1.00 0.00 H new ATOM 1257 N ASP A 80 -5.025 2.836 8.248 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.602 1.676 8.916 1.00 0.00 C ATOM 1259 C ASP A 80 -4.667 0.486 8.775 1.00 0.00 C ATOM 1260 O ASP A 80 -4.404 -0.233 9.736 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.986 1.336 8.342 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.606 0.128 9.051 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.413 -0.011 10.282 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.277 -0.688 8.380 1.00 0.00 O ATOM 0 H ASP A 80 -5.534 3.104 7.406 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.728 1.914 9.972 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.646 2.198 8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.898 1.128 7.276 1.00 0.00 H new ATOM 1269 N TRP A 81 -4.094 0.276 7.596 1.00 0.00 N ATOM 1270 CA TRP A 81 -3.124 -0.787 7.388 1.00 0.00 C ATOM 1271 C TRP A 81 -1.844 -0.563 8.209 1.00 0.00 C ATOM 1272 O TRP A 81 -1.242 -1.512 8.716 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.842 -0.864 5.899 1.00 0.00 C ATOM 1274 CG TRP A 81 -1.976 -1.987 5.464 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -2.071 -3.274 5.859 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.868 -1.925 4.534 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -1.039 -3.993 5.292 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.267 -3.211 4.466 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.340 -0.904 3.723 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.869 -3.460 3.692 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.768 -1.161 2.907 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.388 -2.420 2.915 1.00 0.00 C ATOM 0 H TRP A 81 -4.288 0.834 6.764 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.528 -1.737 7.738 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.793 -0.938 5.371 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.376 0.071 5.588 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.831 -3.676 6.513 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.870 -4.984 5.465 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.789 0.078 3.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.336 -4.434 3.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 1.150 -0.382 2.264 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.272 -2.587 2.317 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.493 0.699 8.467 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.436 1.086 9.388 1.00 0.00 C ATOM 1295 C GLY A 82 -0.656 0.503 10.778 1.00 0.00 C ATOM 1296 O GLY A 82 0.315 0.261 11.496 1.00 0.00 O ATOM 0 H GLY A 82 -1.952 1.497 8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.525 0.749 9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.390 2.173 9.453 1.00 0.00 H new ATOM 1300 N THR A 83 -1.913 0.251 11.139 1.00 0.00 N ATOM 1301 CA THR A 83 -2.352 -0.282 12.411 1.00 0.00 C ATOM 1302 C THR A 83 -2.694 -1.782 12.306 1.00 0.00 C ATOM 1303 O THR A 83 -2.842 -2.445 13.329 1.00 0.00 O ATOM 1304 CB THR A 83 -3.471 0.660 12.905 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.123 1.202 14.155 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.863 0.054 12.982 1.00 0.00 C ATOM 0 H THR A 83 -2.694 0.427 10.507 1.00 0.00 H new ATOM 0 HA THR A 83 -1.571 -0.289 13.172 1.00 0.00 H new ATOM 0 HB THR A 83 -3.541 1.431 12.138 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.836 1.800 14.462 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.567 0.805 13.341 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.167 -0.285 11.992 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.854 -0.792 13.669 1.00 0.00 H new ATOM 1314 N THR A 84 -2.729 -2.372 11.104 1.00 0.00 N ATOM 1315 CA THR A 84 -2.469 -3.803 10.947 1.00 0.00 C ATOM 1316 C THR A 84 -1.002 -4.065 11.339 1.00 0.00 C ATOM 1317 O THR A 84 -0.725 -5.069 11.988 1.00 0.00 O ATOM 1318 CB THR A 84 -2.819 -4.227 9.500 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.036 -4.945 9.439 1.00 0.00 O ATOM 1320 CG2 THR A 84 -1.755 -5.053 8.793 1.00 0.00 C ATOM 0 H THR A 84 -2.934 -1.882 10.233 1.00 0.00 H new ATOM 0 HA THR A 84 -3.094 -4.412 11.600 1.00 0.00 H new ATOM 0 HB THR A 84 -2.899 -3.274 8.976 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.466 -4.786 8.573 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.095 -5.300 7.787 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.830 -4.480 8.733 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.577 -5.972 9.351 1.00 0.00 H new ATOM 1328 N ASN A 85 -0.112 -3.090 11.075 1.00 0.00 N ATOM 1329 CA ASN A 85 1.323 -3.021 11.367 1.00 0.00 C ATOM 1330 C ASN A 85 2.075 -3.662 10.203 1.00 0.00 C ATOM 1331 O ASN A 85 2.439 -4.840 10.254 1.00 0.00 O ATOM 1332 CB ASN A 85 1.759 -3.592 12.731 1.00 0.00 C ATOM 1333 CG ASN A 85 1.056 -2.944 13.914 1.00 0.00 C ATOM 1334 OD1 ASN A 85 1.545 -1.969 14.481 1.00 0.00 O ATOM 1335 ND2 ASN A 85 -0.079 -3.477 14.323 1.00 0.00 N ATOM 0 H ASN A 85 -0.420 -2.241 10.600 1.00 0.00 H new ATOM 0 HA ASN A 85 1.579 -1.966 11.464 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.564 -4.664 12.746 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.835 -3.462 12.843 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.569 -3.080 15.125 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -0.467 -4.286 13.838 1.00 0.00 H new ATOM 1342 N CYS A 86 2.261 -2.872 9.144 1.00 0.00 N ATOM 1343 CA CYS A 86 3.061 -3.166 7.958 1.00 0.00 C ATOM 1344 C CYS A 86 3.939 -1.956 7.638 1.00 0.00 C ATOM 1345 O CYS A 86 3.800 -0.904 8.278 1.00 0.00 O ATOM 1346 CB CYS A 86 2.129 -3.474 6.785 1.00 0.00 C ATOM 1347 SG CYS A 86 1.245 -5.011 7.118 1.00 0.00 S ATOM 0 H CYS A 86 1.828 -1.950 9.091 1.00 0.00 H new ATOM 0 HA CYS A 86 3.699 -4.032 8.138 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.422 -2.657 6.643 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.703 -3.563 5.863 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.018 -4.850 6.858 1.00 0.00 H new ATOM 1353 N THR A 87 4.805 -2.073 6.632 1.00 0.00 N ATOM 1354 CA THR A 87 5.831 -1.081 6.356 1.00 0.00 C ATOM 1355 C THR A 87 5.821 -0.585 4.914 1.00 0.00 C ATOM 1356 O THR A 87 5.141 -1.119 4.041 1.00 0.00 O ATOM 1357 CB THR A 87 7.208 -1.678 6.702 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.382 -2.865 5.952 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.416 -2.006 8.174 1.00 0.00 C ATOM 0 H THR A 87 4.811 -2.863 5.986 1.00 0.00 H new ATOM 0 HA THR A 87 5.619 -0.211 6.977 1.00 0.00 H new ATOM 0 HB THR A 87 7.940 -0.908 6.457 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.256 -3.258 6.159 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.414 -2.421 8.317 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.312 -1.098 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.671 -2.735 8.493 1.00 0.00 H new ATOM 1367 N VAL A 88 6.593 0.468 4.674 1.00 0.00 N ATOM 1368 CA VAL A 88 6.809 1.074 3.373 1.00 0.00 C ATOM 1369 C VAL A 88 7.370 0.049 2.381 1.00 0.00 C ATOM 1370 O VAL A 88 6.996 0.095 1.214 1.00 0.00 O ATOM 1371 CB VAL A 88 7.770 2.263 3.545 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.379 2.732 2.219 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.043 3.445 4.194 1.00 0.00 C ATOM 0 H VAL A 88 7.107 0.941 5.417 1.00 0.00 H new ATOM 0 HA VAL A 88 5.861 1.427 2.967 1.00 0.00 H new ATOM 0 HB VAL A 88 8.580 1.911 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.048 3.573 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.940 1.914 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.583 3.043 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.735 4.279 4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.209 3.751 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.667 3.148 5.173 1.00 0.00 H new ATOM 1383 N GLY A 89 8.272 -0.833 2.817 1.00 0.00 N ATOM 1384 CA GLY A 89 8.831 -1.879 1.978 1.00 0.00 C ATOM 1385 C GLY A 89 7.712 -2.806 1.536 1.00 0.00 C ATOM 1386 O GLY A 89 7.587 -3.080 0.345 1.00 0.00 O ATOM 0 H GLY A 89 8.634 -0.836 3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.324 -1.442 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.589 -2.438 2.527 1.00 0.00 H new ATOM 1390 N ASP A 90 6.853 -3.187 2.491 1.00 0.00 N ATOM 1391 CA ASP A 90 5.655 -3.992 2.232 1.00 0.00 C ATOM 1392 C ASP A 90 4.819 -3.277 1.161 1.00 0.00 C ATOM 1393 O ASP A 90 4.474 -3.861 0.136 1.00 0.00 O ATOM 1394 CB ASP A 90 4.860 -4.222 3.545 1.00 0.00 C ATOM 1395 CG ASP A 90 4.309 -5.637 3.759 1.00 0.00 C ATOM 1396 OD1 ASP A 90 4.941 -6.620 3.324 1.00 0.00 O ATOM 1397 OD2 ASP A 90 3.308 -5.783 4.508 1.00 0.00 O ATOM 0 H ASP A 90 6.973 -2.942 3.474 1.00 0.00 H new ATOM 0 HA ASP A 90 5.928 -4.980 1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.507 -3.975 4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.025 -3.521 3.568 1.00 0.00 H new ATOM 1402 N LEU A 91 4.537 -1.983 1.378 1.00 0.00 N ATOM 1403 CA LEU A 91 3.726 -1.133 0.506 1.00 0.00 C ATOM 1404 C LEU A 91 4.284 -1.123 -0.906 1.00 0.00 C ATOM 1405 O LEU A 91 3.557 -1.439 -1.837 1.00 0.00 O ATOM 1406 CB LEU A 91 3.612 0.293 1.081 1.00 0.00 C ATOM 1407 CG LEU A 91 2.855 1.314 0.207 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.482 0.862 -0.309 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.659 2.606 1.013 1.00 0.00 C ATOM 0 H LEU A 91 4.883 -1.485 2.198 1.00 0.00 H new ATOM 0 HA LEU A 91 2.720 -1.549 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.116 0.235 2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.618 0.673 1.261 1.00 0.00 H new ATOM 0 HG LEU A 91 3.477 1.449 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.040 1.656 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.599 -0.034 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.830 0.642 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.125 3.336 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.082 2.390 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.631 3.010 1.295 1.00 0.00 H new ATOM 1421 N VAL A 92 5.549 -0.759 -1.080 1.00 0.00 N ATOM 1422 CA VAL A 92 6.236 -0.760 -2.362 1.00 0.00 C ATOM 1423 C VAL A 92 6.051 -2.107 -3.046 1.00 0.00 C ATOM 1424 O VAL A 92 5.686 -2.132 -4.216 1.00 0.00 O ATOM 1425 CB VAL A 92 7.717 -0.439 -2.108 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.685 -0.965 -3.176 1.00 0.00 C ATOM 1427 CG2 VAL A 92 7.906 1.053 -1.855 1.00 0.00 C ATOM 0 H VAL A 92 6.140 -0.446 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 92 5.822 -0.005 -3.030 1.00 0.00 H new ATOM 0 HB VAL A 92 7.988 -0.991 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.705 -0.689 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.606 -2.051 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.432 -0.529 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.961 1.261 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.567 1.615 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.325 1.350 -0.982 1.00 0.00 H new ATOM 1437 N ASP A 93 6.305 -3.207 -2.342 1.00 0.00 N ATOM 1438 CA ASP A 93 6.265 -4.546 -2.916 1.00 0.00 C ATOM 1439 C ASP A 93 4.900 -4.814 -3.538 1.00 0.00 C ATOM 1440 O ASP A 93 4.788 -5.244 -4.687 1.00 0.00 O ATOM 1441 CB ASP A 93 6.564 -5.595 -1.829 1.00 0.00 C ATOM 1442 CG ASP A 93 7.654 -6.604 -2.200 1.00 0.00 C ATOM 1443 OD1 ASP A 93 8.250 -6.517 -3.299 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.890 -7.539 -1.402 1.00 0.00 O ATOM 0 H ASP A 93 6.546 -3.193 -1.351 1.00 0.00 H new ATOM 0 HA ASP A 93 7.024 -4.615 -3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.861 -5.079 -0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.646 -6.138 -1.604 1.00 0.00 H new ATOM 1449 N LEU A 94 3.857 -4.520 -2.766 1.00 0.00 N ATOM 1450 CA LEU A 94 2.466 -4.663 -3.154 1.00 0.00 C ATOM 1451 C LEU A 94 2.130 -3.725 -4.305 1.00 0.00 C ATOM 1452 O LEU A 94 1.442 -4.131 -5.236 1.00 0.00 O ATOM 1453 CB LEU A 94 1.594 -4.346 -1.938 1.00 0.00 C ATOM 1454 CG LEU A 94 1.696 -5.447 -0.869 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.409 -4.867 0.505 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.672 -6.527 -1.161 1.00 0.00 C ATOM 0 H LEU A 94 3.967 -4.162 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 94 2.281 -5.682 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.899 -3.392 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.556 -4.237 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 94 2.703 -5.864 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.484 -5.654 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.133 -4.084 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.404 -4.446 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.742 -7.309 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.328 -6.094 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.865 -6.955 -2.145 1.00 0.00 H new ATOM 1468 N LEU A 95 2.603 -2.479 -4.257 1.00 0.00 N ATOM 1469 CA LEU A 95 2.382 -1.468 -5.285 1.00 0.00 C ATOM 1470 C LEU A 95 2.984 -1.903 -6.617 1.00 0.00 C ATOM 1471 O LEU A 95 2.332 -1.756 -7.649 1.00 0.00 O ATOM 1472 CB LEU A 95 2.960 -0.112 -4.860 1.00 0.00 C ATOM 1473 CG LEU A 95 2.162 0.644 -3.794 1.00 0.00 C ATOM 1474 CD1 LEU A 95 2.928 1.926 -3.445 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.732 0.950 -4.232 1.00 0.00 C ATOM 0 H LEU A 95 3.166 -2.138 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 95 1.305 -1.358 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.972 -0.270 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.041 0.521 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 95 2.064 0.011 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.379 2.483 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.915 1.667 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.036 2.540 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.215 1.487 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.751 1.565 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.208 0.017 -4.441 1.00 0.00 H new ATOM 1487 N VAL A 96 4.191 -2.465 -6.622 1.00 0.00 N ATOM 1488 CA VAL A 96 4.773 -3.055 -7.820 1.00 0.00 C ATOM 1489 C VAL A 96 3.868 -4.199 -8.303 1.00 0.00 C ATOM 1490 O VAL A 96 3.593 -4.277 -9.499 1.00 0.00 O ATOM 1491 CB VAL A 96 6.229 -3.494 -7.539 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.879 -4.226 -8.722 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.124 -2.281 -7.226 1.00 0.00 C ATOM 0 H VAL A 96 4.789 -2.523 -5.798 1.00 0.00 H new ATOM 0 HA VAL A 96 4.828 -2.325 -8.628 1.00 0.00 H new ATOM 0 HB VAL A 96 6.157 -4.171 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.899 -4.507 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.304 -5.122 -8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.896 -3.569 -9.592 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.142 -2.620 -7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.124 -1.600 -8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.741 -1.763 -6.347 1.00 0.00 H new ATOM 1503 N GLN A 97 3.326 -5.024 -7.397 1.00 0.00 N ATOM 1504 CA GLN A 97 2.533 -6.202 -7.720 1.00 0.00 C ATOM 1505 C GLN A 97 1.242 -5.820 -8.464 1.00 0.00 C ATOM 1506 O GLN A 97 0.707 -6.634 -9.224 1.00 0.00 O ATOM 1507 CB GLN A 97 2.323 -7.031 -6.425 1.00 0.00 C ATOM 1508 CG GLN A 97 0.876 -7.313 -5.991 1.00 0.00 C ATOM 1509 CD GLN A 97 0.795 -8.220 -4.757 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.752 -8.365 -3.995 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -0.356 -8.821 -4.489 1.00 0.00 N ATOM 0 H GLN A 97 3.434 -4.880 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 97 3.062 -6.845 -8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.829 -7.988 -6.552 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.824 -6.512 -5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.375 -6.369 -5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.338 -7.780 -6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.151 -8.704 -5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.447 -9.401 -3.655 1.00 0.00 H new ATOM 1520 N ILE A 98 0.756 -4.587 -8.292 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.437 -4.051 -8.945 1.00 0.00 C ATOM 1522 C ILE A 98 -0.105 -3.055 -10.069 1.00 0.00 C ATOM 1523 O ILE A 98 -1.032 -2.441 -10.604 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.397 -3.440 -7.907 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.723 -2.283 -7.154 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.921 -4.502 -6.926 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.709 -1.384 -6.427 1.00 0.00 C ATOM 0 H ILE A 98 1.201 -3.912 -7.671 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.942 -4.888 -9.427 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.256 -3.042 -8.448 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.015 -2.691 -6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.149 -1.684 -7.861 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.595 -4.034 -6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.458 -5.274 -7.478 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.082 -4.952 -6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.167 -0.588 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.402 -0.948 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.266 -1.971 -5.696 1.00 0.00 H new ATOM 1539 N GLU A 99 1.171 -2.890 -10.436 1.00 0.00 N ATOM 1540 CA GLU A 99 1.651 -2.093 -11.570 1.00 0.00 C ATOM 1541 C GLU A 99 1.690 -0.581 -11.259 1.00 0.00 C ATOM 1542 O GLU A 99 1.658 0.250 -12.172 1.00 0.00 O ATOM 1543 CB GLU A 99 0.836 -2.425 -12.840 1.00 0.00 C ATOM 1544 CG GLU A 99 1.593 -2.195 -14.149 1.00 0.00 C ATOM 1545 CD GLU A 99 0.614 -2.206 -15.316 1.00 0.00 C ATOM 1546 OE1 GLU A 99 0.271 -3.306 -15.810 1.00 0.00 O ATOM 1547 OE2 GLU A 99 0.212 -1.102 -15.753 1.00 0.00 O ATOM 0 H GLU A 99 1.935 -3.331 -9.924 1.00 0.00 H new ATOM 0 HA GLU A 99 2.688 -2.369 -11.761 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.521 -3.468 -12.794 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.070 -1.819 -12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.120 -1.242 -14.113 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.346 -2.971 -14.286 1.00 0.00 H new ATOM 1554 N LEU A 100 1.719 -0.198 -9.977 1.00 0.00 N ATOM 1555 CA LEU A 100 1.682 1.194 -9.525 1.00 0.00 C ATOM 1556 C LEU A 100 3.103 1.635 -9.176 1.00 0.00 C ATOM 1557 O LEU A 100 3.466 1.830 -8.012 1.00 0.00 O ATOM 1558 CB LEU A 100 0.687 1.374 -8.357 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.737 1.823 -8.740 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.762 3.236 -9.339 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.435 0.857 -9.695 1.00 0.00 C ATOM 0 H LEU A 100 1.770 -0.866 -9.208 1.00 0.00 H new ATOM 0 HA LEU A 100 1.315 1.839 -10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.615 0.429 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.102 2.105 -7.663 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.289 1.827 -7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.787 3.506 -9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.369 3.946 -8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.148 3.261 -10.239 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.433 1.230 -9.925 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.857 0.774 -10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.514 -0.124 -9.227 1.00 0.00 H new ATOM 1573 N PHE A 101 3.930 1.805 -10.203 1.00 0.00 N ATOM 1574 CA PHE A 101 5.339 2.111 -10.015 1.00 0.00 C ATOM 1575 C PHE A 101 5.563 3.562 -9.603 1.00 0.00 C ATOM 1576 O PHE A 101 6.434 3.813 -8.787 1.00 0.00 O ATOM 1577 CB PHE A 101 6.167 1.765 -11.256 1.00 0.00 C ATOM 1578 CG PHE A 101 5.834 0.409 -11.843 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.999 -0.774 -11.090 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.279 0.352 -13.132 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.547 -1.996 -11.622 1.00 0.00 C ATOM 1582 CE2 PHE A 101 4.861 -0.875 -13.671 1.00 0.00 C ATOM 1583 CZ PHE A 101 4.977 -2.044 -12.904 1.00 0.00 C ATOM 0 H PHE A 101 3.643 1.735 -11.179 1.00 0.00 H new ATOM 0 HA PHE A 101 5.684 1.480 -9.195 1.00 0.00 H new ATOM 0 HB2 PHE A 101 6.007 2.530 -12.015 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.225 1.790 -10.996 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.467 -0.741 -10.117 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.173 1.257 -13.712 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.639 -2.902 -11.041 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.453 -0.919 -14.670 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.626 -2.985 -13.302 1.00 0.00 H new ATOM 1593 N ALA A 102 4.805 4.544 -10.094 1.00 0.00 N ATOM 1594 CA ALA A 102 4.996 5.938 -9.677 1.00 0.00 C ATOM 1595 C ALA A 102 5.021 6.103 -8.138 1.00 0.00 C ATOM 1596 O ALA A 102 5.978 6.687 -7.618 1.00 0.00 O ATOM 1597 CB ALA A 102 3.975 6.850 -10.358 1.00 0.00 C ATOM 0 H ALA A 102 4.059 4.404 -10.775 1.00 0.00 H new ATOM 0 HA ALA A 102 5.985 6.250 -10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.134 7.879 -10.035 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.095 6.786 -11.440 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.968 6.536 -10.085 1.00 0.00 H new ATOM 1603 N PRO A 103 4.034 5.589 -7.379 1.00 0.00 N ATOM 1604 CA PRO A 103 4.048 5.651 -5.920 1.00 0.00 C ATOM 1605 C PRO A 103 5.109 4.748 -5.265 1.00 0.00 C ATOM 1606 O PRO A 103 5.771 5.225 -4.341 1.00 0.00 O ATOM 1607 CB PRO A 103 2.628 5.305 -5.474 1.00 0.00 C ATOM 1608 CG PRO A 103 2.045 4.539 -6.647 1.00 0.00 C ATOM 1609 CD PRO A 103 2.751 5.105 -7.856 1.00 0.00 C ATOM 0 HA PRO A 103 4.339 6.649 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.632 4.701 -4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.049 6.203 -5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.222 3.468 -6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.966 4.679 -6.716 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.882 4.343 -8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.171 5.912 -8.304 1.00 0.00 H new ATOM 1617 N ALA A 104 5.313 3.504 -5.728 1.00 0.00 N ATOM 1618 CA ALA A 104 6.407 2.623 -5.281 1.00 0.00 C ATOM 1619 C ALA A 104 7.733 3.386 -5.418 1.00 0.00 C ATOM 1620 O ALA A 104 8.531 3.389 -4.491 1.00 0.00 O ATOM 1621 CB ALA A 104 6.397 1.323 -6.110 1.00 0.00 C ATOM 0 H ALA A 104 4.714 3.075 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 104 6.278 2.341 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.207 0.673 -5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.443 0.813 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.534 1.563 -7.164 1.00 0.00 H new ATOM 1627 N THR A 105 7.943 4.122 -6.509 1.00 0.00 N ATOM 1628 CA THR A 105 9.180 4.826 -6.791 1.00 0.00 C ATOM 1629 C THR A 105 9.288 6.101 -5.947 1.00 0.00 C ATOM 1630 O THR A 105 10.393 6.526 -5.612 1.00 0.00 O ATOM 1631 CB THR A 105 9.195 5.200 -8.284 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.024 4.087 -9.117 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.484 5.852 -8.751 1.00 0.00 C ATOM 0 H THR A 105 7.237 4.244 -7.235 1.00 0.00 H new ATOM 0 HA THR A 105 10.024 4.182 -6.545 1.00 0.00 H new ATOM 0 HB THR A 105 8.366 5.903 -8.362 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.067 3.931 -9.262 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.411 6.083 -9.814 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.650 6.772 -8.190 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.318 5.170 -8.585 1.00 0.00 H new ATOM 1641 N LEU A 106 8.172 6.768 -5.622 1.00 0.00 N ATOM 1642 CA LEU A 106 8.217 7.966 -4.795 1.00 0.00 C ATOM 1643 C LEU A 106 8.628 7.584 -3.373 1.00 0.00 C ATOM 1644 O LEU A 106 9.318 8.348 -2.693 1.00 0.00 O ATOM 1645 CB LEU A 106 6.838 8.641 -4.812 1.00 0.00 C ATOM 1646 CG LEU A 106 6.764 9.872 -3.888 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.745 10.985 -4.281 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.354 10.448 -3.925 1.00 0.00 C ATOM 0 H LEU A 106 7.236 6.495 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 106 8.952 8.670 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.599 8.943 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.081 7.918 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 106 7.034 9.527 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.641 11.822 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.765 10.603 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.526 11.322 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.300 11.319 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.108 10.743 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.644 9.694 -3.585 1.00 0.00 H new ATOM 1660 N LEU A 107 8.183 6.411 -2.925 1.00 0.00 N ATOM 1661 CA LEU A 107 8.597 5.838 -1.656 1.00 0.00 C ATOM 1662 C LEU A 107 10.047 5.389 -1.753 1.00 0.00 C ATOM 1663 O LEU A 107 10.855 5.791 -0.922 1.00 0.00 O ATOM 1664 CB LEU A 107 7.706 4.647 -1.278 1.00 0.00 C ATOM 1665 CG LEU A 107 6.268 5.046 -0.921 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.388 3.799 -0.925 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.176 5.756 0.437 1.00 0.00 C ATOM 0 H LEU A 107 7.520 5.831 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 107 8.499 6.598 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.683 3.943 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.151 4.126 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 107 5.921 5.756 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.364 4.075 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.407 3.344 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.763 3.086 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.138 6.017 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.545 5.093 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.780 6.663 0.415 1.00 0.00 H new ATOM 1679 N LEU A 108 10.366 4.569 -2.757 1.00 0.00 N ATOM 1680 CA LEU A 108 11.564 3.748 -2.807 1.00 0.00 C ATOM 1681 C LEU A 108 11.980 3.543 -4.271 1.00 0.00 C ATOM 1682 O LEU A 108 11.679 2.524 -4.892 1.00 0.00 O ATOM 1683 CB LEU A 108 11.279 2.434 -2.062 1.00 0.00 C ATOM 1684 CG LEU A 108 12.439 1.906 -1.214 1.00 0.00 C ATOM 1685 CD1 LEU A 108 12.856 2.960 -0.178 1.00 0.00 C ATOM 1686 CD2 LEU A 108 11.971 0.642 -0.485 1.00 0.00 C ATOM 0 H LEU A 108 9.775 4.459 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 108 12.407 4.231 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.414 2.581 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.006 1.672 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 108 13.291 1.684 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.682 2.575 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.172 3.869 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.011 3.185 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.785 0.251 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.122 0.884 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.672 -0.110 -1.216 1.00 0.00 H new ATOM 1698 N PRO A 109 12.681 4.515 -4.866 1.00 0.00 N ATOM 1699 CA PRO A 109 12.950 4.544 -6.298 1.00 0.00 C ATOM 1700 C PRO A 109 13.931 3.458 -6.734 1.00 0.00 C ATOM 1701 O PRO A 109 14.027 3.154 -7.920 1.00 0.00 O ATOM 1702 CB PRO A 109 13.521 5.939 -6.567 1.00 0.00 C ATOM 1703 CG PRO A 109 14.163 6.325 -5.235 1.00 0.00 C ATOM 1704 CD PRO A 109 13.257 5.661 -4.202 1.00 0.00 C ATOM 0 HA PRO A 109 12.042 4.347 -6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.252 5.924 -7.375 1.00 0.00 H new ATOM 0 HB3 PRO A 109 12.741 6.643 -6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.188 5.962 -5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.197 7.407 -5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 109 13.823 5.359 -3.321 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.481 6.348 -3.863 1.00 0.00 H new ATOM 1712 N ASP A 110 14.690 2.901 -5.793 1.00 0.00 N ATOM 1713 CA ASP A 110 15.762 1.948 -6.053 1.00 0.00 C ATOM 1714 C ASP A 110 15.246 0.505 -6.071 1.00 0.00 C ATOM 1715 O ASP A 110 15.838 -0.367 -6.711 1.00 0.00 O ATOM 1716 CB ASP A 110 16.810 2.125 -4.945 1.00 0.00 C ATOM 1717 CG ASP A 110 18.221 1.705 -5.347 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.434 1.071 -6.402 1.00 0.00 O ATOM 1719 OD2 ASP A 110 19.159 2.066 -4.598 1.00 0.00 O ATOM 0 H ASP A 110 14.571 3.107 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 110 16.193 2.139 -7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.827 3.171 -4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.504 1.544 -4.075 1.00 0.00 H new ATOM 1724 N ALA A 111 14.129 0.269 -5.372 1.00 0.00 N ATOM 1725 CA ALA A 111 13.566 -1.039 -5.071 1.00 0.00 C ATOM 1726 C ALA A 111 12.962 -1.711 -6.301 1.00 0.00 C ATOM 1727 O ALA A 111 13.149 -2.908 -6.512 1.00 0.00 O ATOM 1728 CB ALA A 111 12.468 -0.840 -4.022 1.00 0.00 C ATOM 0 H ALA A 111 13.570 1.029 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 111 14.365 -1.687 -4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 111 12.024 -1.804 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.899 -0.396 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.699 -0.178 -4.421 1.00 0.00 H new ATOM 1734 N VAL A 112 12.197 -0.936 -7.066 1.00 0.00 N ATOM 1735 CA VAL A 112 11.458 -1.346 -8.248 1.00 0.00 C ATOM 1736 C VAL A 112 12.412 -1.987 -9.266 1.00 0.00 C ATOM 1737 O VAL A 112 13.578 -1.586 -9.335 1.00 0.00 O ATOM 1738 CB VAL A 112 10.734 -0.089 -8.766 1.00 0.00 C ATOM 1739 CG1 VAL A 112 11.659 1.019 -9.291 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.629 -0.383 -9.791 1.00 0.00 C ATOM 0 H VAL A 112 12.072 0.055 -6.861 1.00 0.00 H new ATOM 0 HA VAL A 112 10.713 -2.114 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 112 10.260 0.295 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.059 1.862 -9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.323 1.347 -8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.252 0.635 -10.121 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.167 0.553 -10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.060 -0.885 -10.657 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.874 -1.025 -9.338 1.00 0.00 H new ATOM 1750 N PRO A 113 11.952 -2.947 -10.086 1.00 0.00 N ATOM 1751 CA PRO A 113 12.770 -3.557 -11.125 1.00 0.00 C ATOM 1752 C PRO A 113 12.915 -2.642 -12.354 1.00 0.00 C ATOM 1753 O PRO A 113 12.593 -3.015 -13.489 1.00 0.00 O ATOM 1754 CB PRO A 113 12.130 -4.924 -11.384 1.00 0.00 C ATOM 1755 CG PRO A 113 10.654 -4.686 -11.065 1.00 0.00 C ATOM 1756 CD PRO A 113 10.722 -3.700 -9.901 1.00 0.00 C ATOM 0 HA PRO A 113 13.809 -3.699 -10.827 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.272 -5.246 -12.416 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.560 -5.697 -10.747 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.116 -4.271 -11.918 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.145 -5.609 -10.786 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.856 -3.038 -9.899 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.725 -4.224 -8.945 1.00 0.00 H new ATOM 1764 N GLN A 114 13.422 -1.431 -12.131 1.00 0.00 N ATOM 1765 CA GLN A 114 13.866 -0.464 -13.114 1.00 0.00 C ATOM 1766 C GLN A 114 15.140 0.185 -12.545 1.00 0.00 C ATOM 1767 O GLN A 114 15.357 0.176 -11.328 1.00 0.00 O ATOM 1768 CB GLN A 114 12.718 0.541 -13.353 1.00 0.00 C ATOM 1769 CG GLN A 114 12.900 1.477 -14.554 1.00 0.00 C ATOM 1770 CD GLN A 114 13.043 0.714 -15.865 1.00 0.00 C ATOM 1771 OE1 GLN A 114 14.150 0.326 -16.230 1.00 0.00 O ATOM 1772 NE2 GLN A 114 11.956 0.457 -16.575 1.00 0.00 N ATOM 0 H GLN A 114 13.539 -1.080 -11.181 1.00 0.00 H new ATOM 0 HA GLN A 114 14.107 -0.903 -14.082 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.791 -0.017 -13.487 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.597 1.148 -12.456 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.046 2.151 -14.620 1.00 0.00 H new ATOM 0 HG3 GLN A 114 13.783 2.097 -14.398 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.047 0.789 -16.253 1.00 0.00 H new ATOM 0 HE22 GLN A 114 12.028 -0.073 -17.444 1.00 0.00 H new ATOM 1781 N THR A 115 15.985 0.759 -13.400 1.00 0.00 N ATOM 1782 CA THR A 115 17.190 1.480 -12.993 1.00 0.00 C ATOM 1783 C THR A 115 17.184 2.860 -13.658 1.00 0.00 C ATOM 1784 O THR A 115 16.378 3.113 -14.568 1.00 0.00 O ATOM 1785 CB THR A 115 18.440 0.645 -13.330 1.00 0.00 C ATOM 1786 OG1 THR A 115 18.497 0.361 -14.712 1.00 0.00 O ATOM 1787 CG2 THR A 115 18.487 -0.683 -12.578 1.00 0.00 C ATOM 0 H THR A 115 15.849 0.736 -14.411 1.00 0.00 H new ATOM 0 HA THR A 115 17.209 1.636 -11.914 1.00 0.00 H new ATOM 0 HB THR A 115 19.291 1.253 -13.023 1.00 0.00 H new ATOM 0 HG1 THR A 115 19.299 -0.168 -14.904 1.00 0.00 H new ATOM 0 HG21 THR A 115 19.390 -1.227 -12.856 1.00 0.00 H new ATOM 0 HG22 THR A 115 18.494 -0.493 -11.505 1.00 0.00 H new ATOM 0 HG23 THR A 115 17.611 -1.278 -12.836 1.00 0.00 H new ATOM 1795 N VAL A 116 18.042 3.787 -13.221 1.00 0.00 N ATOM 1796 CA VAL A 116 17.998 5.162 -13.701 1.00 0.00 C ATOM 1797 C VAL A 116 19.403 5.759 -13.740 1.00 0.00 C ATOM 1798 O VAL A 116 20.247 5.442 -12.900 1.00 0.00 O ATOM 1799 CB VAL A 116 17.002 5.949 -12.820 1.00 0.00 C ATOM 1800 CG1 VAL A 116 17.559 6.334 -11.445 1.00 0.00 C ATOM 1801 CG2 VAL A 116 16.450 7.176 -13.548 1.00 0.00 C ATOM 0 H VAL A 116 18.774 3.605 -12.535 1.00 0.00 H new ATOM 0 HA VAL A 116 17.639 5.213 -14.729 1.00 0.00 H new ATOM 0 HB VAL A 116 16.180 5.258 -12.631 1.00 0.00 H new ATOM 0 HG11 VAL A 116 16.801 6.883 -10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.831 5.432 -10.897 1.00 0.00 H new ATOM 0 HG13 VAL A 116 18.442 6.961 -11.572 1.00 0.00 H new ATOM 0 HG21 VAL A 116 15.753 7.703 -12.896 1.00 0.00 H new ATOM 0 HG22 VAL A 116 17.271 7.841 -13.815 1.00 0.00 H new ATOM 0 HG23 VAL A 116 15.931 6.859 -14.453 1.00 0.00 H new ATOM 1811 N LYS A 117 19.660 6.662 -14.686 1.00 0.00 N ATOM 1812 CA LYS A 117 20.836 7.520 -14.633 1.00 0.00 C ATOM 1813 C LYS A 117 20.593 8.684 -13.676 1.00 0.00 C ATOM 1814 O LYS A 117 19.451 9.019 -13.365 1.00 0.00 O ATOM 1815 CB LYS A 117 21.194 8.009 -16.049 1.00 0.00 C ATOM 1816 CG LYS A 117 21.670 6.882 -16.986 1.00 0.00 C ATOM 1817 CD LYS A 117 22.789 6.054 -16.342 1.00 0.00 C ATOM 1818 CE LYS A 117 23.576 5.224 -17.353 1.00 0.00 C ATOM 1819 NZ LYS A 117 24.534 4.348 -16.654 1.00 0.00 N ATOM 0 H LYS A 117 19.065 6.816 -15.500 1.00 0.00 H new ATOM 0 HA LYS A 117 21.685 6.952 -14.253 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.322 8.493 -16.489 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.976 8.765 -15.977 1.00 0.00 H new ATOM 0 HG2 LYS A 117 20.830 6.232 -17.232 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.026 7.311 -17.923 1.00 0.00 H new ATOM 0 HD2 LYS A 117 23.473 6.723 -15.819 1.00 0.00 H new ATOM 0 HD3 LYS A 117 22.357 5.390 -15.593 1.00 0.00 H new ATOM 0 HE2 LYS A 117 22.892 4.623 -17.952 1.00 0.00 H new ATOM 0 HE3 LYS A 117 24.108 5.882 -18.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 25.064 3.787 -17.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 25.196 4.929 -16.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 24.018 3.709 -16.016 1.00 0.00 H new ATOM 1833 N SER A 118 21.683 9.300 -13.231 1.00 0.00 N ATOM 1834 CA SER A 118 21.731 10.556 -12.507 1.00 0.00 C ATOM 1835 C SER A 118 23.177 11.052 -12.582 1.00 0.00 C ATOM 1836 O SER A 118 24.089 10.273 -12.906 1.00 0.00 O ATOM 1837 CB SER A 118 21.275 10.369 -11.052 1.00 0.00 C ATOM 1838 OG SER A 118 21.116 11.621 -10.412 1.00 0.00 O ATOM 0 H SER A 118 22.613 8.907 -13.378 1.00 0.00 H new ATOM 0 HA SER A 118 21.053 11.288 -12.947 1.00 0.00 H new ATOM 0 HB2 SER A 118 20.333 9.821 -11.029 1.00 0.00 H new ATOM 0 HB3 SER A 118 22.006 9.769 -10.511 1.00 0.00 H new ATOM 0 HG SER A 118 20.824 11.481 -9.487 1.00 0.00 H new ATOM 1844 N LEU A 119 23.399 12.328 -12.272 1.00 0.00 N ATOM 1845 CA LEU A 119 24.728 12.918 -12.136 1.00 0.00 C ATOM 1846 C LEU A 119 25.383 12.451 -10.828 1.00 0.00 C ATOM 1847 O LEU A 119 24.666 12.177 -9.862 1.00 0.00 O ATOM 1848 CB LEU A 119 24.613 14.454 -12.139 1.00 0.00 C ATOM 1849 CG LEU A 119 24.191 15.064 -13.489 1.00 0.00 C ATOM 1850 CD1 LEU A 119 24.035 16.579 -13.327 1.00 0.00 C ATOM 1851 CD2 LEU A 119 25.220 14.777 -14.594 1.00 0.00 C ATOM 0 H LEU A 119 22.644 12.994 -12.105 1.00 0.00 H new ATOM 0 HA LEU A 119 25.346 12.598 -12.974 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.891 14.752 -11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 119 25.574 14.878 -11.849 1.00 0.00 H new ATOM 0 HG LEU A 119 23.246 14.608 -13.785 1.00 0.00 H new ATOM 0 HD11 LEU A 119 23.736 17.018 -14.279 1.00 0.00 H new ATOM 0 HD12 LEU A 119 23.273 16.788 -12.576 1.00 0.00 H new ATOM 0 HD13 LEU A 119 24.984 17.011 -13.010 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.884 15.225 -15.529 1.00 0.00 H new ATOM 0 HD22 LEU A 119 26.183 15.203 -14.314 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.323 13.700 -14.724 1.00 0.00 H new ATOM 1863 N PRO A 120 26.726 12.403 -10.748 1.00 0.00 N ATOM 1864 CA PRO A 120 27.427 12.020 -9.529 1.00 0.00 C ATOM 1865 C PRO A 120 27.270 13.113 -8.454 1.00 0.00 C ATOM 1866 O PRO A 120 27.504 14.292 -8.747 1.00 0.00 O ATOM 1867 CB PRO A 120 28.891 11.827 -9.939 1.00 0.00 C ATOM 1868 CG PRO A 120 29.049 12.737 -11.156 1.00 0.00 C ATOM 1869 CD PRO A 120 27.675 12.671 -11.820 1.00 0.00 C ATOM 0 HA PRO A 120 27.025 11.107 -9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 120 29.572 12.110 -9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 120 29.104 10.787 -10.186 1.00 0.00 H new ATOM 0 HG2 PRO A 120 29.308 13.755 -10.867 1.00 0.00 H new ATOM 0 HG3 PRO A 120 29.836 12.385 -11.823 1.00 0.00 H new ATOM 0 HD2 PRO A 120 27.440 13.608 -12.325 1.00 0.00 H new ATOM 0 HD3 PRO A 120 27.643 11.886 -12.575 1.00 0.00 H new ATOM 1877 N PRO A 121 26.890 12.774 -7.210 1.00 0.00 N ATOM 1878 CA PRO A 121 26.762 13.729 -6.111 1.00 0.00 C ATOM 1879 C PRO A 121 28.157 14.057 -5.552 1.00 0.00 C ATOM 1880 O PRO A 121 28.566 13.502 -4.527 1.00 0.00 O ATOM 1881 CB PRO A 121 25.849 13.023 -5.098 1.00 0.00 C ATOM 1882 CG PRO A 121 26.222 11.550 -5.276 1.00 0.00 C ATOM 1883 CD PRO A 121 26.496 11.443 -6.773 1.00 0.00 C ATOM 0 HA PRO A 121 26.335 14.689 -6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 121 26.032 13.367 -4.080 1.00 0.00 H new ATOM 0 HB3 PRO A 121 24.795 13.202 -5.310 1.00 0.00 H new ATOM 0 HG2 PRO A 121 27.098 11.281 -4.685 1.00 0.00 H new ATOM 0 HG3 PRO A 121 25.413 10.889 -4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 121 27.285 10.718 -6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 121 25.609 11.104 -7.308 1.00 0.00 H new ATOM 1891 N SER A 122 28.932 14.887 -6.257 1.00 0.00 N ATOM 1892 CA SER A 122 30.335 15.123 -5.930 1.00 0.00 C ATOM 1893 C SER A 122 30.810 16.501 -6.419 1.00 0.00 C ATOM 1894 O SER A 122 31.861 16.608 -7.048 1.00 0.00 O ATOM 1895 CB SER A 122 31.161 13.952 -6.503 1.00 0.00 C ATOM 1896 OG SER A 122 32.202 13.594 -5.615 1.00 0.00 O ATOM 0 H SER A 122 28.602 15.411 -7.068 1.00 0.00 H new ATOM 0 HA SER A 122 30.473 15.152 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 122 30.512 13.093 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 122 31.581 14.234 -7.469 1.00 0.00 H new ATOM 0 HG SER A 122 32.714 12.849 -5.994 1.00 0.00 H new ATOM 1902 N GLY A 123 30.054 17.566 -6.144 1.00 0.00 N ATOM 1903 CA GLY A 123 30.449 18.929 -6.500 1.00 0.00 C ATOM 1904 C GLY A 123 29.623 19.983 -5.758 1.00 0.00 C ATOM 1905 O GLY A 123 28.705 19.621 -5.017 1.00 0.00 O ATOM 0 H GLY A 123 29.153 17.507 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 123 31.505 19.071 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 123 30.334 19.070 -7.575 1.00 0.00 H new ATOM 1909 N PRO A 124 29.932 21.281 -5.933 1.00 0.00 N ATOM 1910 CA PRO A 124 29.128 22.370 -5.394 1.00 0.00 C ATOM 1911 C PRO A 124 27.755 22.324 -6.067 1.00 0.00 C ATOM 1912 O PRO A 124 27.644 22.614 -7.255 1.00 0.00 O ATOM 1913 CB PRO A 124 29.909 23.656 -5.693 1.00 0.00 C ATOM 1914 CG PRO A 124 30.729 23.301 -6.934 1.00 0.00 C ATOM 1915 CD PRO A 124 31.009 21.807 -6.763 1.00 0.00 C ATOM 0 HA PRO A 124 28.953 22.305 -4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 124 29.240 24.496 -5.881 1.00 0.00 H new ATOM 0 HB3 PRO A 124 30.549 23.939 -4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 124 30.176 23.503 -7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 124 31.652 23.879 -6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 124 31.036 21.304 -7.729 1.00 0.00 H new ATOM 0 HD3 PRO A 124 31.978 21.645 -6.291 1.00 0.00 H new ATOM 1923 N SER A 125 26.732 21.883 -5.334 1.00 0.00 N ATOM 1924 CA SER A 125 25.496 21.384 -5.924 1.00 0.00 C ATOM 1925 C SER A 125 24.728 22.448 -6.715 1.00 0.00 C ATOM 1926 O SER A 125 24.136 22.101 -7.733 1.00 0.00 O ATOM 1927 CB SER A 125 24.618 20.787 -4.818 1.00 0.00 C ATOM 1928 OG SER A 125 25.401 20.174 -3.798 1.00 0.00 O ATOM 0 H SER A 125 26.740 21.863 -4.314 1.00 0.00 H new ATOM 0 HA SER A 125 25.764 20.615 -6.648 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.000 21.571 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 125 23.940 20.050 -5.249 1.00 0.00 H new ATOM 0 HG SER A 125 24.810 19.806 -3.109 1.00 0.00 H new ATOM 1934 N SER A 126 24.768 23.705 -6.248 1.00 0.00 N ATOM 1935 CA SER A 126 24.202 24.909 -6.853 1.00 0.00 C ATOM 1936 C SER A 126 22.896 24.642 -7.620 1.00 0.00 C ATOM 1937 O SER A 126 22.895 24.485 -8.842 1.00 0.00 O ATOM 1938 CB SER A 126 25.290 25.616 -7.688 1.00 0.00 C ATOM 1939 OG SER A 126 25.357 26.987 -7.345 1.00 0.00 O ATOM 0 H SER A 126 25.236 23.917 -5.367 1.00 0.00 H new ATOM 0 HA SER A 126 23.894 25.591 -6.061 1.00 0.00 H new ATOM 0 HB2 SER A 126 26.256 25.143 -7.514 1.00 0.00 H new ATOM 0 HB3 SER A 126 25.069 25.510 -8.750 1.00 0.00 H new ATOM 0 HG SER A 126 26.052 27.424 -7.880 1.00 0.00 H new ATOM 1945 N GLY A 127 21.772 24.583 -6.904 1.00 0.00 N ATOM 1946 CA GLY A 127 20.447 24.373 -7.463 1.00 0.00 C ATOM 1947 C GLY A 127 19.427 24.932 -6.500 1.00 0.00 C ATOM 1948 O GLY A 127 19.680 24.898 -5.277 1.00 0.00 O ATOM 0 H GLY A 127 21.765 24.684 -5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 127 20.362 24.865 -8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 127 20.270 23.310 -7.628 1.00 0.00 H new TER 1952 GLY A 127