USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 945 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 76 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 MET CE :methyl 166:sc= -0.265 (180deg=-0.854) USER MOD Set 1.3: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 128:sc= 0.0191 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 37:sc= 0.114 USER MOD Single : A 8 ASN : amide:sc= -0.0874 X(o=-0.087,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 17 ASN : amide:sc= -0.0418 K(o=-0.042,f=-0.69) USER MOD Single : A 19 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 25 LYS NZ :NH3+ -135:sc= -0.58 (180deg=-0.694) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -80:sc= -3.46! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00768) USER MOD Single : A 38 SER OG : rot 79:sc= 0.811 USER MOD Single : A 39 THR OG1 : rot 5:sc= 0.783 USER MOD Single : A 40 SER OG : rot 160:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0469 X(o=-0.047,f=0) USER MOD Single : A 54 SER OG : rot -95:sc= 0.354 USER MOD Single : A 56 ASN :FLIP amide:sc= -1.34 F(o=-4!,f=-1.3) USER MOD Single : A 57 TYR OH : rot 100:sc= -0.544 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0212) USER MOD Single : A 62 THR OG1 : rot -53:sc= -3.33! USER MOD Single : A 64 ASN :FLIP amide:sc= -4.76! C(o=-5.6!,f=-4.8!) USER MOD Single : A 66 ASN : amide:sc= -4.46! C(o=-4.5!,f=-4.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.485 F(o=-1.8,f=-0.48) USER MOD Single : A 73 ASN : amide:sc= -5.74! C(o=-5.7!,f=-5.7!) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= -0.0524 (180deg=-0.381) USER MOD Single : A 79 SER OG : rot 90:sc= 0.516 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -4.64! C(o=-5.9!,f=-4.6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 177:sc= -5.78! (180deg=-6.14!) USER MOD Single : A 104 MET CE :methyl 146:sc= -0.191 (180deg=-1.63!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot -46:sc= -1.54 USER MOD Single : A 111 MET CE :methyl 138:sc= -1.58 (180deg=-3.65!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl 168:sc= 0 (180deg=-0.155) USER MOD Single : A 116 LYS NZ :NH3+ -150:sc= -0.359 (180deg=-1.24!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -13:sc= 0.789 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.735 19.125 -6.259 1.00 0.00 N ATOM 2 CA GLY A 1 11.825 18.288 -5.791 1.00 0.00 C ATOM 3 C GLY A 1 11.850 18.161 -4.280 1.00 0.00 C ATOM 4 O GLY A 1 11.468 19.089 -3.567 1.00 0.00 O ATOM 0 H1 GLY A 1 11.108 19.857 -6.897 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.043 18.540 -6.770 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.271 19.578 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.734 17.296 -6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.772 18.705 -6.133 1.00 0.00 H new ATOM 8 N SER A 2 12.301 17.011 -3.793 1.00 0.00 N ATOM 9 CA SER A 2 12.369 16.764 -2.357 1.00 0.00 C ATOM 10 C SER A 2 13.799 16.445 -1.929 1.00 0.00 C ATOM 11 O SER A 2 14.562 15.836 -2.678 1.00 0.00 O ATOM 12 CB SER A 2 11.440 15.611 -1.972 1.00 0.00 C ATOM 13 OG SER A 2 11.718 15.148 -0.662 1.00 0.00 O ATOM 0 H SER A 2 12.625 16.235 -4.371 1.00 0.00 H new ATOM 0 HA SER A 2 12.046 17.668 -1.841 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.403 15.940 -2.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.557 14.793 -2.683 1.00 0.00 H new ATOM 0 HG SER A 2 11.110 14.412 -0.439 1.00 0.00 H new ATOM 19 N SER A 3 14.152 16.861 -0.716 1.00 0.00 N ATOM 20 CA SER A 3 15.491 16.624 -0.188 1.00 0.00 C ATOM 21 C SER A 3 15.877 15.155 -0.327 1.00 0.00 C ATOM 22 O SER A 3 16.914 14.825 -0.902 1.00 0.00 O ATOM 23 CB SER A 3 15.563 17.045 1.281 1.00 0.00 C ATOM 24 OG SER A 3 16.843 16.772 1.827 1.00 0.00 O ATOM 0 H SER A 3 13.531 17.363 -0.082 1.00 0.00 H new ATOM 0 HA SER A 3 16.195 17.223 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.346 18.110 1.369 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.800 16.516 1.852 1.00 0.00 H new ATOM 0 HG SER A 3 16.864 17.051 2.766 1.00 0.00 H new ATOM 30 N GLY A 4 15.035 14.274 0.206 1.00 0.00 N ATOM 31 CA GLY A 4 15.305 12.850 0.131 1.00 0.00 C ATOM 32 C GLY A 4 15.161 12.161 1.474 1.00 0.00 C ATOM 33 O GLY A 4 15.859 12.498 2.430 1.00 0.00 O ATOM 0 H GLY A 4 14.171 14.521 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.623 12.391 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.315 12.694 -0.247 1.00 0.00 H new ATOM 37 N SER A 5 14.250 11.196 1.547 1.00 0.00 N ATOM 38 CA SER A 5 14.012 10.462 2.785 1.00 0.00 C ATOM 39 C SER A 5 15.317 9.903 3.344 1.00 0.00 C ATOM 40 O SER A 5 16.333 9.855 2.651 1.00 0.00 O ATOM 41 CB SER A 5 13.018 9.324 2.545 1.00 0.00 C ATOM 42 OG SER A 5 11.683 9.799 2.573 1.00 0.00 O ATOM 0 H SER A 5 13.665 10.904 0.764 1.00 0.00 H new ATOM 0 HA SER A 5 13.591 11.154 3.514 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.221 8.857 1.581 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.150 8.555 3.306 1.00 0.00 H new ATOM 0 HG SER A 5 11.067 9.053 2.416 1.00 0.00 H new ATOM 48 N SER A 6 15.280 9.483 4.605 1.00 0.00 N ATOM 49 CA SER A 6 16.461 8.930 5.260 1.00 0.00 C ATOM 50 C SER A 6 16.069 8.133 6.501 1.00 0.00 C ATOM 51 O SER A 6 15.331 8.617 7.358 1.00 0.00 O ATOM 52 CB SER A 6 17.427 10.052 5.645 1.00 0.00 C ATOM 53 OG SER A 6 16.799 10.999 6.492 1.00 0.00 O ATOM 0 H SER A 6 14.447 9.515 5.193 1.00 0.00 H new ATOM 0 HA SER A 6 16.956 8.258 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.297 9.630 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.789 10.549 4.745 1.00 0.00 H new ATOM 0 HG SER A 6 16.183 10.538 7.098 1.00 0.00 H new ATOM 59 N GLY A 7 16.569 6.904 6.589 1.00 0.00 N ATOM 60 CA GLY A 7 16.262 6.057 7.726 1.00 0.00 C ATOM 61 C GLY A 7 16.079 4.605 7.335 1.00 0.00 C ATOM 62 O GLY A 7 15.751 4.300 6.189 1.00 0.00 O ATOM 0 H GLY A 7 17.182 6.480 5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.065 6.134 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.353 6.417 8.209 1.00 0.00 H new ATOM 66 N ASN A 8 16.293 3.704 8.290 1.00 0.00 N ATOM 67 CA ASN A 8 16.152 2.276 8.039 1.00 0.00 C ATOM 68 C ASN A 8 14.690 1.906 7.800 1.00 0.00 C ATOM 69 O ASN A 8 14.368 1.183 6.859 1.00 0.00 O ATOM 70 CB ASN A 8 16.707 1.471 9.216 1.00 0.00 C ATOM 71 CG ASN A 8 18.179 1.740 9.456 1.00 0.00 C ATOM 72 OD1 ASN A 8 19.044 1.039 8.929 1.00 0.00 O ATOM 73 ND2 ASN A 8 18.472 2.759 10.256 1.00 0.00 N ATOM 0 H ASN A 8 16.565 3.939 9.245 1.00 0.00 H new ATOM 0 HA ASN A 8 16.721 2.034 7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.144 1.715 10.117 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.561 0.408 9.027 1.00 0.00 H new ATOM 0 HD21 ASN A 8 19.446 2.987 10.455 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.723 3.313 10.671 1.00 0.00 H new ATOM 80 N ASP A 9 13.811 2.409 8.660 1.00 0.00 N ATOM 81 CA ASP A 9 12.384 2.135 8.544 1.00 0.00 C ATOM 82 C ASP A 9 11.711 3.143 7.618 1.00 0.00 C ATOM 83 O ASP A 9 10.560 2.963 7.218 1.00 0.00 O ATOM 84 CB ASP A 9 11.722 2.168 9.922 1.00 0.00 C ATOM 85 CG ASP A 9 12.172 1.023 10.807 1.00 0.00 C ATOM 86 OD1 ASP A 9 12.209 -0.126 10.319 1.00 0.00 O ATOM 87 OD2 ASP A 9 12.488 1.276 11.990 1.00 0.00 O ATOM 0 H ASP A 9 14.062 3.009 9.446 1.00 0.00 H new ATOM 0 HA ASP A 9 12.264 1.139 8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.954 3.114 10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.639 2.128 9.803 1.00 0.00 H new ATOM 92 N ASP A 10 12.435 4.206 7.283 1.00 0.00 N ATOM 93 CA ASP A 10 11.908 5.244 6.404 1.00 0.00 C ATOM 94 C ASP A 10 11.863 4.760 4.957 1.00 0.00 C ATOM 95 O ASP A 10 11.310 5.432 4.086 1.00 0.00 O ATOM 96 CB ASP A 10 12.761 6.509 6.506 1.00 0.00 C ATOM 97 CG ASP A 10 11.979 7.763 6.162 1.00 0.00 C ATOM 98 OD1 ASP A 10 11.187 7.723 5.198 1.00 0.00 O ATOM 99 OD2 ASP A 10 12.160 8.783 6.860 1.00 0.00 O ATOM 0 H ASP A 10 13.388 4.371 7.607 1.00 0.00 H new ATOM 0 HA ASP A 10 10.891 5.474 6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.156 6.597 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.616 6.422 5.836 1.00 0.00 H new ATOM 104 N ILE A 11 12.449 3.594 4.710 1.00 0.00 N ATOM 105 CA ILE A 11 12.475 3.021 3.370 1.00 0.00 C ATOM 106 C ILE A 11 11.094 2.528 2.956 1.00 0.00 C ATOM 107 O ILE A 11 10.852 2.240 1.783 1.00 0.00 O ATOM 108 CB ILE A 11 13.476 1.854 3.277 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.748 1.504 1.812 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.946 0.642 4.027 1.00 0.00 C ATOM 111 CD1 ILE A 11 15.014 0.702 1.608 1.00 0.00 C ATOM 0 H ILE A 11 12.912 3.027 5.420 1.00 0.00 H new ATOM 0 HA ILE A 11 12.791 3.814 2.693 1.00 0.00 H new ATOM 0 HB ILE A 11 14.415 2.161 3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.903 0.940 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.814 2.425 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.664 -0.175 3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.797 0.900 5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.996 0.331 3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.143 0.490 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.869 1.273 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.944 -0.236 2.159 1.00 0.00 H new ATOM 123 N ILE A 12 10.190 2.432 3.926 1.00 0.00 N ATOM 124 CA ILE A 12 8.832 1.976 3.660 1.00 0.00 C ATOM 125 C ILE A 12 8.137 2.877 2.646 1.00 0.00 C ATOM 126 O ILE A 12 7.275 2.429 1.889 1.00 0.00 O ATOM 127 CB ILE A 12 7.991 1.932 4.950 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.610 0.957 5.954 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.556 1.536 4.635 1.00 0.00 C ATOM 130 CD1 ILE A 12 7.862 0.887 7.268 1.00 0.00 C ATOM 0 H ILE A 12 10.374 2.664 4.902 1.00 0.00 H new ATOM 0 HA ILE A 12 8.912 0.968 3.252 1.00 0.00 H new ATOM 0 HB ILE A 12 7.983 2.927 5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.642 -0.038 5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.641 1.253 6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.975 1.510 5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.119 2.264 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.544 0.550 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.356 0.177 7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.852 1.872 7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.838 0.561 7.087 1.00 0.00 H new ATOM 142 N VAL A 13 8.520 4.150 2.633 1.00 0.00 N ATOM 143 CA VAL A 13 7.936 5.115 1.708 1.00 0.00 C ATOM 144 C VAL A 13 8.645 5.081 0.360 1.00 0.00 C ATOM 145 O VAL A 13 8.005 4.999 -0.688 1.00 0.00 O ATOM 146 CB VAL A 13 8.001 6.546 2.275 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.318 7.524 1.333 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.374 6.599 3.660 1.00 0.00 C ATOM 0 H VAL A 13 9.232 4.537 3.252 1.00 0.00 H new ATOM 0 HA VAL A 13 6.892 4.833 1.573 1.00 0.00 H new ATOM 0 HB VAL A 13 9.048 6.836 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.374 8.530 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.817 7.505 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.273 7.240 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.429 7.617 4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.331 6.289 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.913 5.928 4.329 1.00 0.00 H new ATOM 158 N ASN A 14 9.972 5.145 0.392 1.00 0.00 N ATOM 159 CA ASN A 14 10.770 5.123 -0.829 1.00 0.00 C ATOM 160 C ASN A 14 10.435 3.898 -1.674 1.00 0.00 C ATOM 161 O ASN A 14 10.194 4.008 -2.877 1.00 0.00 O ATOM 162 CB ASN A 14 12.261 5.129 -0.488 1.00 0.00 C ATOM 163 CG ASN A 14 13.114 4.589 -1.620 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.399 3.392 -1.681 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.526 5.471 -2.523 1.00 0.00 N ATOM 0 H ASN A 14 10.518 5.213 1.251 1.00 0.00 H new ATOM 0 HA ASN A 14 10.533 6.017 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.574 6.147 -0.254 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.429 4.531 0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.103 5.166 -3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.266 6.453 -2.433 1.00 0.00 H new ATOM 172 N TRP A 15 10.419 2.732 -1.037 1.00 0.00 N ATOM 173 CA TRP A 15 10.112 1.487 -1.730 1.00 0.00 C ATOM 174 C TRP A 15 8.779 1.586 -2.463 1.00 0.00 C ATOM 175 O TRP A 15 8.648 1.128 -3.599 1.00 0.00 O ATOM 176 CB TRP A 15 10.079 0.322 -0.740 1.00 0.00 C ATOM 177 CG TRP A 15 10.117 -1.022 -1.401 1.00 0.00 C ATOM 178 CD1 TRP A 15 11.223 -1.679 -1.858 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.999 -1.872 -1.681 1.00 0.00 C ATOM 180 NE1 TRP A 15 10.860 -2.886 -2.405 1.00 0.00 N ATOM 181 CE2 TRP A 15 9.501 -3.028 -2.308 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.622 -1.768 -1.462 1.00 0.00 C ATOM 183 CZ2 TRP A 15 8.674 -4.072 -2.717 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.803 -2.804 -1.869 1.00 0.00 C ATOM 185 CH2 TRP A 15 7.332 -3.944 -2.490 1.00 0.00 C ATOM 0 H TRP A 15 10.615 2.624 -0.042 1.00 0.00 H new ATOM 0 HA TRP A 15 10.897 1.307 -2.465 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.927 0.408 -0.060 1.00 0.00 H new ATOM 0 HB3 TRP A 15 9.176 0.395 -0.134 1.00 0.00 H new ATOM 0 HD1 TRP A 15 12.234 -1.305 -1.798 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.499 -3.566 -2.817 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.206 -0.894 -0.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 9.079 -4.951 -3.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.738 -2.734 -1.706 1.00 0.00 H new ATOM 0 HH2 TRP A 15 6.666 -4.737 -2.795 1.00 0.00 H new ATOM 196 N VAL A 16 7.791 2.185 -1.807 1.00 0.00 N ATOM 197 CA VAL A 16 6.466 2.345 -2.398 1.00 0.00 C ATOM 198 C VAL A 16 6.527 3.198 -3.659 1.00 0.00 C ATOM 199 O VAL A 16 6.067 2.784 -4.723 1.00 0.00 O ATOM 200 CB VAL A 16 5.483 2.988 -1.402 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.116 3.168 -2.045 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.380 2.149 -0.138 1.00 0.00 C ATOM 0 H VAL A 16 7.882 2.568 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 16 6.110 1.347 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 16 5.862 3.972 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.434 3.624 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.207 3.813 -2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.727 2.197 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.681 2.618 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.024 1.151 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.361 2.076 0.331 1.00 0.00 H new ATOM 212 N ASN A 17 7.099 4.391 -3.533 1.00 0.00 N ATOM 213 CA ASN A 17 7.220 5.304 -4.665 1.00 0.00 C ATOM 214 C ASN A 17 7.864 4.607 -5.859 1.00 0.00 C ATOM 215 O ASN A 17 7.287 4.557 -6.945 1.00 0.00 O ATOM 216 CB ASN A 17 8.044 6.531 -4.271 1.00 0.00 C ATOM 217 CG ASN A 17 7.187 7.645 -3.701 1.00 0.00 C ATOM 218 OD1 ASN A 17 6.421 8.285 -4.423 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.314 7.883 -2.401 1.00 0.00 N ATOM 0 H ASN A 17 7.486 4.748 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 17 6.218 5.624 -4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.794 6.241 -3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.581 6.900 -5.145 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.764 8.621 -1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.961 7.327 -1.842 1.00 0.00 H new ATOM 226 N GLU A 18 9.062 4.071 -5.649 1.00 0.00 N ATOM 227 CA GLU A 18 9.783 3.378 -6.710 1.00 0.00 C ATOM 228 C GLU A 18 8.920 2.282 -7.329 1.00 0.00 C ATOM 229 O GLU A 18 8.679 2.272 -8.537 1.00 0.00 O ATOM 230 CB GLU A 18 11.079 2.774 -6.166 1.00 0.00 C ATOM 231 CG GLU A 18 12.271 3.714 -6.248 1.00 0.00 C ATOM 232 CD GLU A 18 13.595 2.989 -6.113 1.00 0.00 C ATOM 233 OE1 GLU A 18 14.123 2.522 -7.144 1.00 0.00 O ATOM 234 OE2 GLU A 18 14.106 2.889 -4.977 1.00 0.00 O ATOM 0 H GLU A 18 9.553 4.103 -4.756 1.00 0.00 H new ATOM 0 HA GLU A 18 10.026 4.106 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.926 2.484 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.306 1.864 -6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.246 4.244 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.191 4.466 -5.463 1.00 0.00 H new ATOM 241 N THR A 19 8.457 1.358 -6.493 1.00 0.00 N ATOM 242 CA THR A 19 7.623 0.256 -6.956 1.00 0.00 C ATOM 243 C THR A 19 6.528 0.753 -7.893 1.00 0.00 C ATOM 244 O THR A 19 6.210 0.106 -8.892 1.00 0.00 O ATOM 245 CB THR A 19 6.973 -0.492 -5.776 1.00 0.00 C ATOM 246 OG1 THR A 19 7.983 -1.126 -4.983 1.00 0.00 O ATOM 247 CG2 THR A 19 5.984 -1.534 -6.276 1.00 0.00 C ATOM 0 H THR A 19 8.646 1.351 -5.491 1.00 0.00 H new ATOM 0 HA THR A 19 8.276 -0.430 -7.495 1.00 0.00 H new ATOM 0 HB THR A 19 6.435 0.233 -5.166 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.384 -0.468 -4.377 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.538 -2.049 -5.426 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.201 -1.044 -6.855 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.504 -2.256 -6.906 1.00 0.00 H new ATOM 255 N LEU A 20 5.953 1.905 -7.566 1.00 0.00 N ATOM 256 CA LEU A 20 4.893 2.490 -8.379 1.00 0.00 C ATOM 257 C LEU A 20 5.462 3.114 -9.649 1.00 0.00 C ATOM 258 O LEU A 20 4.874 3.004 -10.725 1.00 0.00 O ATOM 259 CB LEU A 20 4.129 3.544 -7.576 1.00 0.00 C ATOM 260 CG LEU A 20 3.300 3.023 -6.402 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.083 4.121 -5.373 1.00 0.00 C ATOM 262 CD2 LEU A 20 1.966 2.477 -6.892 1.00 0.00 C ATOM 0 H LEU A 20 6.203 2.453 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 20 4.207 1.693 -8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.846 4.271 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.465 4.078 -8.255 1.00 0.00 H new ATOM 0 HG LEU A 20 3.850 2.211 -5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.491 3.732 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.047 4.465 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.555 4.954 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.389 2.110 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.410 3.270 -7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.142 1.659 -7.591 1.00 0.00 H new ATOM 274 N ARG A 21 6.611 3.769 -9.516 1.00 0.00 N ATOM 275 CA ARG A 21 7.260 4.411 -10.653 1.00 0.00 C ATOM 276 C ARG A 21 7.614 3.386 -11.727 1.00 0.00 C ATOM 277 O ARG A 21 7.317 3.581 -12.905 1.00 0.00 O ATOM 278 CB ARG A 21 8.523 5.145 -10.199 1.00 0.00 C ATOM 279 CG ARG A 21 9.024 6.172 -11.200 1.00 0.00 C ATOM 280 CD ARG A 21 8.397 7.537 -10.959 1.00 0.00 C ATOM 281 NE ARG A 21 7.107 7.672 -11.630 1.00 0.00 N ATOM 282 CZ ARG A 21 6.212 8.604 -11.321 1.00 0.00 C ATOM 283 NH1 ARG A 21 6.465 9.478 -10.356 1.00 0.00 N ATOM 284 NH2 ARG A 21 5.061 8.664 -11.977 1.00 0.00 N ATOM 0 H ARG A 21 7.111 3.869 -8.633 1.00 0.00 H new ATOM 0 HA ARG A 21 6.562 5.132 -11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.322 5.643 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.311 4.415 -10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.109 6.251 -11.130 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.794 5.838 -12.212 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.267 7.692 -9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.073 8.315 -11.314 1.00 0.00 H new ATOM 0 HE ARG A 21 6.881 7.015 -12.377 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.349 9.436 -9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.776 10.192 -10.121 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.862 7.994 -12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.375 9.380 -11.739 1.00 0.00 H new ATOM 298 N GLU A 22 8.249 2.295 -11.310 1.00 0.00 N ATOM 299 CA GLU A 22 8.643 1.240 -12.237 1.00 0.00 C ATOM 300 C GLU A 22 7.437 0.723 -13.019 1.00 0.00 C ATOM 301 O GLU A 22 7.554 0.354 -14.187 1.00 0.00 O ATOM 302 CB GLU A 22 9.306 0.087 -11.482 1.00 0.00 C ATOM 303 CG GLU A 22 10.531 0.506 -10.687 1.00 0.00 C ATOM 304 CD GLU A 22 11.529 -0.624 -10.514 1.00 0.00 C ATOM 305 OE1 GLU A 22 12.149 -1.028 -11.520 1.00 0.00 O ATOM 306 OE2 GLU A 22 11.689 -1.103 -9.372 1.00 0.00 O ATOM 0 H GLU A 22 8.501 2.119 -10.338 1.00 0.00 H new ATOM 0 HA GLU A 22 9.359 1.662 -12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.578 -0.359 -10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.593 -0.686 -12.195 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.018 1.342 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.218 0.863 -9.706 1.00 0.00 H new ATOM 313 N ALA A 23 6.281 0.701 -12.364 1.00 0.00 N ATOM 314 CA ALA A 23 5.054 0.232 -12.997 1.00 0.00 C ATOM 315 C ALA A 23 4.348 1.365 -13.733 1.00 0.00 C ATOM 316 O ALA A 23 3.422 1.131 -14.508 1.00 0.00 O ATOM 317 CB ALA A 23 4.128 -0.384 -11.958 1.00 0.00 C ATOM 0 H ALA A 23 6.168 1.002 -11.396 1.00 0.00 H new ATOM 0 HA ALA A 23 5.320 -0.530 -13.729 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.216 -0.730 -12.443 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.627 -1.227 -11.480 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.877 0.363 -11.205 1.00 0.00 H new ATOM 323 N GLU A 24 4.792 2.593 -13.484 1.00 0.00 N ATOM 324 CA GLU A 24 4.201 3.763 -14.124 1.00 0.00 C ATOM 325 C GLU A 24 2.822 4.062 -13.541 1.00 0.00 C ATOM 326 O GLU A 24 1.876 4.353 -14.272 1.00 0.00 O ATOM 327 CB GLU A 24 4.090 3.545 -15.635 1.00 0.00 C ATOM 328 CG GLU A 24 5.336 2.934 -16.254 1.00 0.00 C ATOM 329 CD GLU A 24 5.053 2.243 -17.574 1.00 0.00 C ATOM 330 OE1 GLU A 24 4.316 1.235 -17.569 1.00 0.00 O ATOM 331 OE2 GLU A 24 5.570 2.710 -18.610 1.00 0.00 O ATOM 0 H GLU A 24 5.558 2.804 -12.844 1.00 0.00 H new ATOM 0 HA GLU A 24 4.852 4.617 -13.934 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.238 2.897 -15.839 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.886 4.501 -16.118 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.080 3.715 -16.409 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.768 2.216 -15.557 1.00 0.00 H new ATOM 338 N LYS A 25 2.717 3.989 -12.219 1.00 0.00 N ATOM 339 CA LYS A 25 1.457 4.254 -11.534 1.00 0.00 C ATOM 340 C LYS A 25 1.290 5.744 -11.257 1.00 0.00 C ATOM 341 O LYS A 25 2.272 6.474 -11.123 1.00 0.00 O ATOM 342 CB LYS A 25 1.391 3.468 -10.222 1.00 0.00 C ATOM 343 CG LYS A 25 0.809 2.074 -10.375 1.00 0.00 C ATOM 344 CD LYS A 25 1.342 1.381 -11.618 1.00 0.00 C ATOM 345 CE LYS A 25 0.726 0.002 -11.794 1.00 0.00 C ATOM 346 NZ LYS A 25 1.022 -0.890 -10.640 1.00 0.00 N ATOM 0 H LYS A 25 3.490 3.748 -11.599 1.00 0.00 H new ATOM 0 HA LYS A 25 0.644 3.932 -12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.395 3.389 -9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.790 4.026 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.050 1.479 -9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.278 2.136 -10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.128 1.991 -12.496 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.426 1.290 -11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.353 0.099 -11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.106 -0.451 -12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.310 -1.826 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.792 -0.480 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.171 -0.988 -10.050 1.00 0.00 H new ATOM 360 N SER A 26 0.040 6.188 -11.170 1.00 0.00 N ATOM 361 CA SER A 26 -0.254 7.594 -10.911 1.00 0.00 C ATOM 362 C SER A 26 -0.458 7.839 -9.419 1.00 0.00 C ATOM 363 O SER A 26 -0.905 8.911 -9.011 1.00 0.00 O ATOM 364 CB SER A 26 -1.501 8.026 -11.685 1.00 0.00 C ATOM 365 OG SER A 26 -1.207 8.215 -13.060 1.00 0.00 O ATOM 0 H SER A 26 -0.784 5.596 -11.275 1.00 0.00 H new ATOM 0 HA SER A 26 0.597 8.187 -11.246 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.280 7.271 -11.577 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.893 8.951 -11.263 1.00 0.00 H new ATOM 0 HG SER A 26 -2.020 8.489 -13.534 1.00 0.00 H new ATOM 371 N SER A 27 -0.129 6.836 -8.610 1.00 0.00 N ATOM 372 CA SER A 27 -0.279 6.941 -7.164 1.00 0.00 C ATOM 373 C SER A 27 1.069 7.188 -6.494 1.00 0.00 C ATOM 374 O SER A 27 2.119 6.883 -7.057 1.00 0.00 O ATOM 375 CB SER A 27 -0.914 5.666 -6.602 1.00 0.00 C ATOM 376 OG SER A 27 -0.196 4.515 -7.013 1.00 0.00 O ATOM 0 H SER A 27 0.243 5.942 -8.932 1.00 0.00 H new ATOM 0 HA SER A 27 -0.931 7.788 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.935 5.716 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.948 5.593 -6.938 1.00 0.00 H new ATOM 0 HG SER A 27 -0.455 4.277 -7.928 1.00 0.00 H new ATOM 382 N SER A 28 1.029 7.744 -5.287 1.00 0.00 N ATOM 383 CA SER A 28 2.247 8.038 -4.541 1.00 0.00 C ATOM 384 C SER A 28 1.917 8.551 -3.143 1.00 0.00 C ATOM 385 O SER A 28 0.832 9.082 -2.905 1.00 0.00 O ATOM 386 CB SER A 28 3.094 9.069 -5.289 1.00 0.00 C ATOM 387 OG SER A 28 2.504 10.356 -5.225 1.00 0.00 O ATOM 0 H SER A 28 0.167 8.000 -4.805 1.00 0.00 H new ATOM 0 HA SER A 28 2.816 7.113 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.095 9.103 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.204 8.767 -6.331 1.00 0.00 H new ATOM 0 HG SER A 28 3.065 10.997 -5.709 1.00 0.00 H new ATOM 393 N ILE A 29 2.861 8.390 -2.222 1.00 0.00 N ATOM 394 CA ILE A 29 2.672 8.839 -0.848 1.00 0.00 C ATOM 395 C ILE A 29 3.803 9.763 -0.410 1.00 0.00 C ATOM 396 O ILE A 29 4.974 9.498 -0.679 1.00 0.00 O ATOM 397 CB ILE A 29 2.591 7.648 0.127 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.717 6.652 -0.157 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.234 6.968 0.020 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.163 5.881 1.066 1.00 0.00 C ATOM 0 H ILE A 29 3.764 7.952 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 29 1.729 9.386 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 29 2.709 8.020 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.385 5.948 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.571 7.189 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.192 6.129 0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.449 7.683 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.088 6.605 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.963 5.194 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.526 6.577 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.321 5.316 1.467 1.00 0.00 H new ATOM 412 N SER A 30 3.444 10.849 0.267 1.00 0.00 N ATOM 413 CA SER A 30 4.429 11.815 0.741 1.00 0.00 C ATOM 414 C SER A 30 5.110 11.317 2.012 1.00 0.00 C ATOM 415 O SER A 30 6.322 11.456 2.174 1.00 0.00 O ATOM 416 CB SER A 30 3.762 13.167 1.002 1.00 0.00 C ATOM 417 OG SER A 30 4.720 14.144 1.371 1.00 0.00 O ATOM 0 H SER A 30 2.479 11.082 0.500 1.00 0.00 H new ATOM 0 HA SER A 30 5.187 11.935 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.231 13.493 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.020 13.063 1.793 1.00 0.00 H new ATOM 0 HG SER A 30 4.270 15.000 1.531 1.00 0.00 H new ATOM 423 N SER A 31 4.321 10.736 2.910 1.00 0.00 N ATOM 424 CA SER A 31 4.846 10.221 4.169 1.00 0.00 C ATOM 425 C SER A 31 3.814 9.342 4.869 1.00 0.00 C ATOM 426 O SER A 31 2.655 9.279 4.459 1.00 0.00 O ATOM 427 CB SER A 31 5.255 11.376 5.087 1.00 0.00 C ATOM 428 OG SER A 31 6.181 10.942 6.068 1.00 0.00 O ATOM 0 H SER A 31 3.316 10.610 2.789 1.00 0.00 H new ATOM 0 HA SER A 31 5.724 9.615 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.696 12.177 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.371 11.789 5.573 1.00 0.00 H new ATOM 0 HG SER A 31 6.429 11.697 6.641 1.00 0.00 H new ATOM 434 N PHE A 32 4.244 8.665 5.929 1.00 0.00 N ATOM 435 CA PHE A 32 3.359 7.789 6.687 1.00 0.00 C ATOM 436 C PHE A 32 1.995 8.441 6.894 1.00 0.00 C ATOM 437 O PHE A 32 0.989 7.756 7.087 1.00 0.00 O ATOM 438 CB PHE A 32 3.983 7.445 8.041 1.00 0.00 C ATOM 439 CG PHE A 32 5.074 6.417 7.954 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.823 5.164 7.417 1.00 0.00 C ATOM 441 CD2 PHE A 32 6.351 6.703 8.409 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.825 4.216 7.337 1.00 0.00 C ATOM 443 CE2 PHE A 32 7.358 5.759 8.330 1.00 0.00 C ATOM 444 CZ PHE A 32 7.095 4.514 7.793 1.00 0.00 C ATOM 0 H PHE A 32 5.200 8.707 6.282 1.00 0.00 H new ATOM 0 HA PHE A 32 3.221 6.871 6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.386 8.354 8.488 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.203 7.080 8.709 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.833 4.926 7.057 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.562 7.675 8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.616 3.243 6.918 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.349 5.995 8.688 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.880 3.775 7.730 1.00 0.00 H new ATOM 454 N LYS A 33 1.968 9.769 6.853 1.00 0.00 N ATOM 455 CA LYS A 33 0.729 10.514 7.036 1.00 0.00 C ATOM 456 C LYS A 33 0.280 11.152 5.724 1.00 0.00 C ATOM 457 O LYS A 33 0.005 12.351 5.667 1.00 0.00 O ATOM 458 CB LYS A 33 0.913 11.595 8.103 1.00 0.00 C ATOM 459 CG LYS A 33 1.217 11.040 9.483 1.00 0.00 C ATOM 460 CD LYS A 33 1.003 12.086 10.565 1.00 0.00 C ATOM 461 CE LYS A 33 -0.477 12.294 10.854 1.00 0.00 C ATOM 462 NZ LYS A 33 -0.696 13.331 11.900 1.00 0.00 N ATOM 0 H LYS A 33 2.791 10.351 6.695 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.041 9.816 7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.723 12.258 7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.008 12.200 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.579 10.178 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.248 10.688 9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.513 11.777 11.477 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.450 13.030 10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.988 12.589 9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.920 11.352 11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.716 13.444 12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.229 13.038 12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.296 14.236 11.581 1.00 0.00 H new ATOM 476 N ASP A 34 0.206 10.344 4.672 1.00 0.00 N ATOM 477 CA ASP A 34 -0.212 10.828 3.362 1.00 0.00 C ATOM 478 C ASP A 34 -1.731 10.784 3.226 1.00 0.00 C ATOM 479 O ASP A 34 -2.389 9.832 3.646 1.00 0.00 O ATOM 480 CB ASP A 34 0.436 9.995 2.255 1.00 0.00 C ATOM 481 CG ASP A 34 -0.277 10.144 0.926 1.00 0.00 C ATOM 482 OD1 ASP A 34 -1.217 9.365 0.667 1.00 0.00 O ATOM 483 OD2 ASP A 34 0.108 11.038 0.144 1.00 0.00 O ATOM 0 H ASP A 34 0.430 9.349 4.701 1.00 0.00 H new ATOM 0 HA ASP A 34 0.114 11.863 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.478 10.295 2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.437 8.945 2.548 1.00 0.00 H new ATOM 488 N PRO A 35 -2.302 11.839 2.626 1.00 0.00 N ATOM 489 CA PRO A 35 -3.750 11.945 2.421 1.00 0.00 C ATOM 490 C PRO A 35 -4.263 10.952 1.383 1.00 0.00 C ATOM 491 O PRO A 35 -5.291 10.306 1.581 1.00 0.00 O ATOM 492 CB PRO A 35 -3.934 13.381 1.925 1.00 0.00 C ATOM 493 CG PRO A 35 -2.627 13.738 1.306 1.00 0.00 C ATOM 494 CD PRO A 35 -1.579 13.009 2.101 1.00 0.00 C ATOM 0 HA PRO A 35 -4.308 11.719 3.330 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.746 13.449 1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.181 14.055 2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.598 13.441 0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.462 14.815 1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.735 12.713 1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.180 13.629 2.904 1.00 0.00 H new ATOM 502 N LYS A 36 -3.538 10.835 0.275 1.00 0.00 N ATOM 503 CA LYS A 36 -3.918 9.920 -0.794 1.00 0.00 C ATOM 504 C LYS A 36 -4.201 8.526 -0.244 1.00 0.00 C ATOM 505 O LYS A 36 -5.008 7.781 -0.799 1.00 0.00 O ATOM 506 CB LYS A 36 -2.811 9.847 -1.849 1.00 0.00 C ATOM 507 CG LYS A 36 -2.907 10.933 -2.907 1.00 0.00 C ATOM 508 CD LYS A 36 -2.667 12.313 -2.315 1.00 0.00 C ATOM 509 CE LYS A 36 -3.969 12.962 -1.871 1.00 0.00 C ATOM 510 NZ LYS A 36 -3.898 14.448 -1.936 1.00 0.00 N ATOM 0 H LYS A 36 -2.684 11.363 0.095 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.829 10.301 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.843 9.919 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.848 8.873 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.177 10.742 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.892 10.902 -3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.990 12.233 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.176 12.947 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.784 12.609 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.199 12.654 -0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.779 14.854 -1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.094 14.782 -1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.771 14.747 -2.924 1.00 0.00 H new ATOM 524 N ILE A 37 -3.532 8.181 0.852 1.00 0.00 N ATOM 525 CA ILE A 37 -3.715 6.878 1.479 1.00 0.00 C ATOM 526 C ILE A 37 -5.178 6.639 1.835 1.00 0.00 C ATOM 527 O ILE A 37 -5.651 5.502 1.831 1.00 0.00 O ATOM 528 CB ILE A 37 -2.860 6.741 2.753 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.378 6.619 2.388 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.311 5.538 3.567 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.472 6.455 3.588 1.00 0.00 C ATOM 0 H ILE A 37 -2.859 8.786 1.323 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.394 6.131 0.753 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.993 7.636 3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.245 5.766 1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.075 7.506 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.697 5.455 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.356 5.663 3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.204 4.633 2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.563 6.375 3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.576 7.320 4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.749 5.552 4.132 1.00 0.00 H new ATOM 543 N SER A 38 -5.891 7.718 2.141 1.00 0.00 N ATOM 544 CA SER A 38 -7.301 7.627 2.501 1.00 0.00 C ATOM 545 C SER A 38 -8.110 6.995 1.372 1.00 0.00 C ATOM 546 O SER A 38 -9.109 6.317 1.612 1.00 0.00 O ATOM 547 CB SER A 38 -7.857 9.014 2.828 1.00 0.00 C ATOM 548 OG SER A 38 -9.271 9.033 2.727 1.00 0.00 O ATOM 0 H SER A 38 -5.515 8.666 2.147 1.00 0.00 H new ATOM 0 HA SER A 38 -7.385 6.993 3.384 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.557 9.301 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.431 9.750 2.147 1.00 0.00 H new ATOM 0 HG SER A 38 -9.662 8.632 3.531 1.00 0.00 H new ATOM 554 N THR A 39 -7.671 7.223 0.138 1.00 0.00 N ATOM 555 CA THR A 39 -8.353 6.678 -1.029 1.00 0.00 C ATOM 556 C THR A 39 -7.826 5.290 -1.376 1.00 0.00 C ATOM 557 O THR A 39 -8.383 4.599 -2.229 1.00 0.00 O ATOM 558 CB THR A 39 -8.191 7.597 -2.254 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.804 7.868 -2.485 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.942 8.905 -2.052 1.00 0.00 C ATOM 0 H THR A 39 -6.846 7.782 -0.079 1.00 0.00 H new ATOM 0 HA THR A 39 -9.410 6.609 -0.773 1.00 0.00 H new ATOM 0 HB THR A 39 -8.609 7.086 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.260 7.340 -1.864 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.813 9.538 -2.930 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.002 8.697 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.549 9.418 -1.174 1.00 0.00 H new ATOM 568 N SER A 40 -6.748 4.887 -0.710 1.00 0.00 N ATOM 569 CA SER A 40 -6.143 3.583 -0.951 1.00 0.00 C ATOM 570 C SER A 40 -5.492 3.532 -2.329 1.00 0.00 C ATOM 571 O SER A 40 -5.356 2.463 -2.926 1.00 0.00 O ATOM 572 CB SER A 40 -7.196 2.480 -0.831 1.00 0.00 C ATOM 573 OG SER A 40 -8.011 2.674 0.312 1.00 0.00 O ATOM 0 H SER A 40 -6.276 5.446 0.001 1.00 0.00 H new ATOM 0 HA SER A 40 -5.371 3.423 -0.198 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.817 2.467 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.705 1.509 -0.770 1.00 0.00 H new ATOM 0 HG SER A 40 -8.848 2.176 0.205 1.00 0.00 H new ATOM 579 N LEU A 41 -5.091 4.696 -2.830 1.00 0.00 N ATOM 580 CA LEU A 41 -4.454 4.785 -4.139 1.00 0.00 C ATOM 581 C LEU A 41 -3.065 4.153 -4.114 1.00 0.00 C ATOM 582 O LEU A 41 -2.742 3.273 -4.912 1.00 0.00 O ATOM 583 CB LEU A 41 -4.352 6.247 -4.580 1.00 0.00 C ATOM 584 CG LEU A 41 -5.581 6.822 -5.286 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.355 8.282 -5.645 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.911 6.009 -6.529 1.00 0.00 C ATOM 0 H LEU A 41 -5.196 5.590 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.070 4.237 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.144 6.857 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.495 6.346 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.429 6.764 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.240 8.675 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.168 8.855 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.495 8.364 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.788 6.432 -7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.065 6.034 -7.215 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.117 4.977 -6.245 1.00 0.00 H new ATOM 598 N PRO A 42 -2.224 4.610 -3.174 1.00 0.00 N ATOM 599 CA PRO A 42 -0.858 4.101 -3.020 1.00 0.00 C ATOM 600 C PRO A 42 -0.828 2.671 -2.491 1.00 0.00 C ATOM 601 O PRO A 42 0.116 1.924 -2.744 1.00 0.00 O ATOM 602 CB PRO A 42 -0.235 5.061 -2.003 1.00 0.00 C ATOM 603 CG PRO A 42 -1.389 5.592 -1.226 1.00 0.00 C ATOM 604 CD PRO A 42 -2.542 5.658 -2.190 1.00 0.00 C ATOM 0 HA PRO A 42 -0.327 4.063 -3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.474 4.546 -1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.311 5.863 -2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.623 4.943 -0.382 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.164 6.578 -0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.493 5.467 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.619 6.639 -2.658 1.00 0.00 H new ATOM 612 N VAL A 43 -1.869 2.296 -1.753 1.00 0.00 N ATOM 613 CA VAL A 43 -1.963 0.955 -1.190 1.00 0.00 C ATOM 614 C VAL A 43 -2.509 -0.034 -2.213 1.00 0.00 C ATOM 615 O VAL A 43 -2.090 -1.191 -2.259 1.00 0.00 O ATOM 616 CB VAL A 43 -2.863 0.934 0.060 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.660 -0.355 0.843 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.588 2.147 0.935 1.00 0.00 C ATOM 0 H VAL A 43 -2.659 2.903 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.953 0.659 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.903 0.975 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.304 -0.352 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.912 -1.207 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.619 -0.430 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.233 2.116 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.545 2.139 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.789 3.057 0.369 1.00 0.00 H new ATOM 628 N LEU A 44 -3.447 0.428 -3.032 1.00 0.00 N ATOM 629 CA LEU A 44 -4.052 -0.416 -4.056 1.00 0.00 C ATOM 630 C LEU A 44 -3.106 -0.599 -5.239 1.00 0.00 C ATOM 631 O LEU A 44 -2.819 -1.724 -5.648 1.00 0.00 O ATOM 632 CB LEU A 44 -5.372 0.193 -4.534 1.00 0.00 C ATOM 633 CG LEU A 44 -6.543 0.106 -3.555 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.688 0.998 -4.012 1.00 0.00 C ATOM 635 CD2 LEU A 44 -7.012 -1.334 -3.410 1.00 0.00 C ATOM 0 H LEU A 44 -3.805 1.383 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.249 -1.394 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.200 1.243 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.662 -0.300 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.203 0.456 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.513 0.923 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.346 2.032 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.027 0.679 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.846 -1.376 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.334 -1.711 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.192 -1.948 -3.036 1.00 0.00 H new ATOM 647 N ASP A 45 -2.626 0.513 -5.782 1.00 0.00 N ATOM 648 CA ASP A 45 -1.709 0.476 -6.916 1.00 0.00 C ATOM 649 C ASP A 45 -0.427 -0.268 -6.554 1.00 0.00 C ATOM 650 O ASP A 45 0.081 -1.070 -7.340 1.00 0.00 O ATOM 651 CB ASP A 45 -1.376 1.896 -7.378 1.00 0.00 C ATOM 652 CG ASP A 45 -2.551 2.574 -8.054 1.00 0.00 C ATOM 653 OD1 ASP A 45 -3.689 2.415 -7.567 1.00 0.00 O ATOM 654 OD2 ASP A 45 -2.332 3.264 -9.073 1.00 0.00 O ATOM 0 H ASP A 45 -2.856 1.452 -5.456 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.200 -0.057 -7.731 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.062 2.490 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.533 1.862 -8.068 1.00 0.00 H new ATOM 659 N LEU A 46 0.092 0.003 -5.362 1.00 0.00 N ATOM 660 CA LEU A 46 1.316 -0.639 -4.896 1.00 0.00 C ATOM 661 C LEU A 46 1.234 -2.153 -5.063 1.00 0.00 C ATOM 662 O LEU A 46 2.193 -2.792 -5.496 1.00 0.00 O ATOM 663 CB LEU A 46 1.571 -0.290 -3.428 1.00 0.00 C ATOM 664 CG LEU A 46 2.626 -1.134 -2.712 1.00 0.00 C ATOM 665 CD1 LEU A 46 3.968 -1.028 -3.421 1.00 0.00 C ATOM 666 CD2 LEU A 46 2.754 -0.706 -1.258 1.00 0.00 C ATOM 0 H LEU A 46 -0.316 0.663 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 46 2.144 -0.269 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.871 0.756 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.631 -0.382 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 46 2.307 -2.176 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.706 -1.635 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.867 -1.384 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.294 0.012 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.509 -1.317 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.049 0.342 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.796 -0.836 -0.755 1.00 0.00 H new ATOM 678 N ILE A 47 0.082 -2.720 -4.720 1.00 0.00 N ATOM 679 CA ILE A 47 -0.126 -4.157 -4.835 1.00 0.00 C ATOM 680 C ILE A 47 0.043 -4.623 -6.278 1.00 0.00 C ATOM 681 O ILE A 47 0.926 -5.424 -6.583 1.00 0.00 O ATOM 682 CB ILE A 47 -1.525 -4.566 -4.336 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.717 -4.137 -2.880 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.722 -6.067 -4.483 1.00 0.00 C ATOM 685 CD1 ILE A 47 -3.168 -4.026 -2.469 1.00 0.00 C ATOM 0 H ILE A 47 -0.722 -2.205 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 47 0.628 -4.636 -4.210 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.274 -4.060 -4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.217 -4.855 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.230 -3.174 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.715 -6.340 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.624 -6.346 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.968 -6.592 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.228 -3.718 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.668 -3.287 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.656 -4.993 -2.590 1.00 0.00 H new ATOM 697 N ASP A 48 -0.809 -4.116 -7.161 1.00 0.00 N ATOM 698 CA ASP A 48 -0.752 -4.477 -8.572 1.00 0.00 C ATOM 699 C ASP A 48 0.692 -4.580 -9.051 1.00 0.00 C ATOM 700 O ASP A 48 1.105 -5.601 -9.600 1.00 0.00 O ATOM 701 CB ASP A 48 -1.510 -3.449 -9.415 1.00 0.00 C ATOM 702 CG ASP A 48 -1.653 -3.878 -10.862 1.00 0.00 C ATOM 703 OD1 ASP A 48 -1.941 -5.070 -11.101 1.00 0.00 O ATOM 704 OD2 ASP A 48 -1.480 -3.023 -11.754 1.00 0.00 O ATOM 0 H ASP A 48 -1.548 -3.454 -6.925 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.224 -5.452 -8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.500 -3.291 -8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.988 -2.493 -9.373 1.00 0.00 H new ATOM 709 N ALA A 49 1.458 -3.513 -8.838 1.00 0.00 N ATOM 710 CA ALA A 49 2.856 -3.484 -9.245 1.00 0.00 C ATOM 711 C ALA A 49 3.565 -4.782 -8.871 1.00 0.00 C ATOM 712 O ALA A 49 4.394 -5.287 -9.629 1.00 0.00 O ATOM 713 CB ALA A 49 3.565 -2.295 -8.614 1.00 0.00 C ATOM 0 H ALA A 49 1.132 -2.659 -8.386 1.00 0.00 H new ATOM 0 HA ALA A 49 2.890 -3.381 -10.330 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.609 -2.286 -8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.082 -1.372 -8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.512 -2.374 -7.528 1.00 0.00 H new ATOM 719 N ILE A 50 3.234 -5.316 -7.700 1.00 0.00 N ATOM 720 CA ILE A 50 3.838 -6.556 -7.228 1.00 0.00 C ATOM 721 C ILE A 50 3.464 -7.728 -8.130 1.00 0.00 C ATOM 722 O ILE A 50 4.335 -8.401 -8.679 1.00 0.00 O ATOM 723 CB ILE A 50 3.410 -6.876 -5.784 1.00 0.00 C ATOM 724 CG1 ILE A 50 3.567 -5.640 -4.897 1.00 0.00 C ATOM 725 CG2 ILE A 50 4.226 -8.036 -5.235 1.00 0.00 C ATOM 726 CD1 ILE A 50 4.980 -5.099 -4.857 1.00 0.00 C ATOM 0 H ILE A 50 2.551 -4.909 -7.061 1.00 0.00 H new ATOM 0 HA ILE A 50 4.918 -6.411 -7.254 1.00 0.00 H new ATOM 0 HB ILE A 50 2.359 -7.166 -5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.897 -4.858 -5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.253 -5.888 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.912 -8.250 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.068 -8.918 -5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.284 -7.772 -5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.016 -4.223 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.652 -5.865 -4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.291 -4.819 -5.863 1.00 0.00 H new ATOM 738 N GLN A 51 2.165 -7.963 -8.276 1.00 0.00 N ATOM 739 CA GLN A 51 1.675 -9.053 -9.111 1.00 0.00 C ATOM 740 C GLN A 51 0.667 -8.544 -10.137 1.00 0.00 C ATOM 741 O GLN A 51 -0.421 -8.080 -9.795 1.00 0.00 O ATOM 742 CB GLN A 51 1.035 -10.140 -8.246 1.00 0.00 C ATOM 743 CG GLN A 51 0.798 -11.447 -8.986 1.00 0.00 C ATOM 744 CD GLN A 51 0.142 -12.500 -8.115 1.00 0.00 C ATOM 745 OE1 GLN A 51 0.771 -13.487 -7.734 1.00 0.00 O ATOM 746 NE2 GLN A 51 -1.130 -12.294 -7.794 1.00 0.00 N ATOM 0 H GLN A 51 1.432 -7.413 -7.827 1.00 0.00 H new ATOM 0 HA GLN A 51 2.526 -9.477 -9.644 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.675 -10.331 -7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.084 -9.773 -7.861 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.170 -11.258 -9.857 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.750 -11.828 -9.356 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.613 -11.462 -8.132 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.624 -12.968 -7.209 1.00 0.00 H new ATOM 755 N PRO A 52 1.035 -8.631 -11.423 1.00 0.00 N ATOM 756 CA PRO A 52 0.176 -8.184 -12.524 1.00 0.00 C ATOM 757 C PRO A 52 -1.042 -9.081 -12.710 1.00 0.00 C ATOM 758 O PRO A 52 -0.912 -10.291 -12.895 1.00 0.00 O ATOM 759 CB PRO A 52 1.095 -8.269 -13.746 1.00 0.00 C ATOM 760 CG PRO A 52 2.111 -9.297 -13.386 1.00 0.00 C ATOM 761 CD PRO A 52 2.317 -9.174 -11.902 1.00 0.00 C ATOM 0 HA PRO A 52 -0.230 -7.188 -12.346 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.540 -8.557 -14.639 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.563 -7.307 -13.957 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.766 -10.296 -13.650 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.044 -9.129 -13.925 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.540 -10.139 -11.446 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.148 -8.510 -11.665 1.00 0.00 H new ATOM 769 N GLY A 53 -2.227 -8.481 -12.660 1.00 0.00 N ATOM 770 CA GLY A 53 -3.452 -9.241 -12.825 1.00 0.00 C ATOM 771 C GLY A 53 -4.239 -9.360 -11.534 1.00 0.00 C ATOM 772 O GLY A 53 -4.852 -10.393 -11.267 1.00 0.00 O ATOM 0 H GLY A 53 -2.361 -7.481 -12.508 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.073 -8.763 -13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.211 -10.238 -13.193 1.00 0.00 H new ATOM 776 N SER A 54 -4.222 -8.300 -10.733 1.00 0.00 N ATOM 777 CA SER A 54 -4.934 -8.292 -9.461 1.00 0.00 C ATOM 778 C SER A 54 -5.866 -7.087 -9.368 1.00 0.00 C ATOM 779 O SER A 54 -7.082 -7.236 -9.250 1.00 0.00 O ATOM 780 CB SER A 54 -3.943 -8.276 -8.296 1.00 0.00 C ATOM 781 OG SER A 54 -3.000 -7.228 -8.443 1.00 0.00 O ATOM 0 H SER A 54 -3.723 -7.435 -10.942 1.00 0.00 H new ATOM 0 HA SER A 54 -5.535 -9.200 -9.404 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.483 -8.155 -7.357 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.423 -9.233 -8.243 1.00 0.00 H new ATOM 0 HG SER A 54 -2.189 -7.575 -8.869 1.00 0.00 H new ATOM 787 N ILE A 55 -5.284 -5.893 -9.421 1.00 0.00 N ATOM 788 CA ILE A 55 -6.061 -4.662 -9.343 1.00 0.00 C ATOM 789 C ILE A 55 -6.664 -4.306 -10.698 1.00 0.00 C ATOM 790 O ILE A 55 -6.030 -4.490 -11.738 1.00 0.00 O ATOM 791 CB ILE A 55 -5.200 -3.484 -8.851 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.537 -3.831 -7.517 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.048 -2.228 -8.717 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.512 -3.919 -6.363 1.00 0.00 C ATOM 0 H ILE A 55 -4.278 -5.752 -9.518 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.863 -4.839 -8.627 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.417 -3.293 -9.585 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.017 -4.784 -7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.783 -3.078 -7.288 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.425 -1.404 -8.368 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.477 -1.974 -9.686 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.850 -2.405 -8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.973 -4.168 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.015 -2.960 -6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.252 -4.692 -6.570 1.00 0.00 H new ATOM 806 N ASN A 56 -7.889 -3.793 -10.679 1.00 0.00 N ATOM 807 CA ASN A 56 -8.577 -3.409 -11.906 1.00 0.00 C ATOM 808 C ASN A 56 -9.090 -1.975 -11.816 1.00 0.00 C ATOM 809 O ASN A 56 -10.247 -1.740 -11.467 1.00 0.00 O ATOM 810 CB ASN A 56 -9.741 -4.363 -12.182 1.00 0.00 C ATOM 811 CG ASN A 56 -10.032 -4.507 -13.663 1.00 0.00 C ATOM 812 OD1 ASN A 56 -10.804 -3.574 -14.208 1.00 0.00 O flip ATOM 813 ND2 ASN A 56 -9.567 -5.446 -14.311 1.00 0.00 N flip ATOM 0 H ASN A 56 -8.426 -3.633 -9.827 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.864 -3.470 -12.728 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.511 -5.343 -11.763 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.634 -4.000 -11.673 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.978 -6.141 -13.851 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.771 -5.529 -15.307 1.00 0.00 H new ATOM 820 N TYR A 57 -8.222 -1.021 -12.134 1.00 0.00 N ATOM 821 CA TYR A 57 -8.587 0.390 -12.088 1.00 0.00 C ATOM 822 C TYR A 57 -9.979 0.612 -12.670 1.00 0.00 C ATOM 823 O TYR A 57 -10.768 1.395 -12.140 1.00 0.00 O ATOM 824 CB TYR A 57 -7.562 1.228 -12.854 1.00 0.00 C ATOM 825 CG TYR A 57 -6.159 1.123 -12.301 1.00 0.00 C ATOM 826 CD1 TYR A 57 -5.901 1.357 -10.956 1.00 0.00 C ATOM 827 CD2 TYR A 57 -5.090 0.788 -13.123 1.00 0.00 C ATOM 828 CE1 TYR A 57 -4.621 1.264 -10.446 1.00 0.00 C ATOM 829 CE2 TYR A 57 -3.806 0.690 -12.622 1.00 0.00 C ATOM 830 CZ TYR A 57 -3.576 0.929 -11.283 1.00 0.00 C ATOM 831 OH TYR A 57 -2.300 0.832 -10.779 1.00 0.00 O ATOM 0 H TYR A 57 -7.261 -1.199 -12.426 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.596 0.703 -11.044 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.556 0.915 -13.898 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.873 2.272 -12.836 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.717 1.616 -10.297 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.266 0.601 -14.172 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.439 1.452 -9.398 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.987 0.428 -13.275 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.080 -0.110 -10.624 1.00 0.00 H new ATOM 841 N ASP A 58 -10.274 -0.083 -13.764 1.00 0.00 N ATOM 842 CA ASP A 58 -11.571 0.037 -14.418 1.00 0.00 C ATOM 843 C ASP A 58 -12.705 -0.095 -13.406 1.00 0.00 C ATOM 844 O ASP A 58 -13.687 0.646 -13.457 1.00 0.00 O ATOM 845 CB ASP A 58 -11.717 -1.028 -15.507 1.00 0.00 C ATOM 846 CG ASP A 58 -12.626 -0.582 -16.635 1.00 0.00 C ATOM 847 OD1 ASP A 58 -12.370 0.496 -17.212 1.00 0.00 O ATOM 848 OD2 ASP A 58 -13.593 -1.310 -16.941 1.00 0.00 O ATOM 0 H ASP A 58 -9.632 -0.735 -14.216 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.629 1.025 -14.875 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.733 -1.268 -15.910 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.113 -1.943 -15.066 1.00 0.00 H new ATOM 853 N LEU A 59 -12.563 -1.044 -12.487 1.00 0.00 N ATOM 854 CA LEU A 59 -13.575 -1.274 -11.462 1.00 0.00 C ATOM 855 C LEU A 59 -13.350 -0.364 -10.259 1.00 0.00 C ATOM 856 O LEU A 59 -14.289 -0.025 -9.539 1.00 0.00 O ATOM 857 CB LEU A 59 -13.558 -2.738 -11.019 1.00 0.00 C ATOM 858 CG LEU A 59 -13.520 -3.778 -12.139 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.428 -5.182 -11.562 1.00 0.00 C ATOM 860 CD2 LEU A 59 -14.745 -3.645 -13.031 1.00 0.00 C ATOM 0 H LEU A 59 -11.757 -1.666 -12.431 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.550 -1.042 -11.892 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.690 -2.893 -10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.442 -2.922 -10.409 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.632 -3.599 -12.745 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.402 -5.908 -12.374 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.520 -5.272 -10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.296 -5.374 -10.931 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.701 -4.393 -13.823 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.646 -3.798 -12.437 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -14.766 -2.649 -13.473 1.00 0.00 H new ATOM 872 N LEU A 60 -12.099 0.030 -10.049 1.00 0.00 N ATOM 873 CA LEU A 60 -11.750 0.904 -8.935 1.00 0.00 C ATOM 874 C LEU A 60 -12.367 2.288 -9.113 1.00 0.00 C ATOM 875 O LEU A 60 -12.549 2.759 -10.235 1.00 0.00 O ATOM 876 CB LEU A 60 -10.229 1.023 -8.812 1.00 0.00 C ATOM 877 CG LEU A 60 -9.468 -0.286 -8.596 1.00 0.00 C ATOM 878 CD1 LEU A 60 -7.969 -0.033 -8.570 1.00 0.00 C ATOM 879 CD2 LEU A 60 -9.920 -0.958 -7.307 1.00 0.00 C ATOM 0 H LEU A 60 -11.310 -0.242 -10.635 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.150 0.464 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.847 1.497 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.003 1.692 -7.982 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.688 -0.955 -9.428 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.444 -0.975 -8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.657 0.405 -9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.730 0.653 -7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.369 -1.888 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.729 -0.294 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.987 -1.174 -7.364 1.00 0.00 H new ATOM 891 N LYS A 61 -12.685 2.935 -7.996 1.00 0.00 N ATOM 892 CA LYS A 61 -13.279 4.266 -8.027 1.00 0.00 C ATOM 893 C LYS A 61 -12.213 5.332 -8.265 1.00 0.00 C ATOM 894 O LYS A 61 -12.157 5.941 -9.334 1.00 0.00 O ATOM 895 CB LYS A 61 -14.015 4.549 -6.716 1.00 0.00 C ATOM 896 CG LYS A 61 -14.895 3.401 -6.252 1.00 0.00 C ATOM 897 CD LYS A 61 -16.256 3.435 -6.925 1.00 0.00 C ATOM 898 CE LYS A 61 -17.170 2.343 -6.389 1.00 0.00 C ATOM 899 NZ LYS A 61 -17.663 2.654 -5.019 1.00 0.00 N ATOM 0 H LYS A 61 -12.541 2.559 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.992 4.300 -8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.283 4.772 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.630 5.440 -6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.403 2.453 -6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.021 3.452 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -16.718 4.409 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -16.134 3.313 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.019 2.218 -7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.633 1.395 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.348 1.929 -4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.862 2.664 -4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.124 3.586 -5.019 1.00 0.00 H new ATOM 913 N THR A 62 -11.369 5.552 -7.262 1.00 0.00 N ATOM 914 CA THR A 62 -10.305 6.544 -7.362 1.00 0.00 C ATOM 915 C THR A 62 -10.818 7.840 -7.979 1.00 0.00 C ATOM 916 O THR A 62 -10.103 8.509 -8.724 1.00 0.00 O ATOM 917 CB THR A 62 -9.127 6.019 -8.204 1.00 0.00 C ATOM 918 OG1 THR A 62 -8.058 6.973 -8.197 1.00 0.00 O ATOM 919 CG2 THR A 62 -9.562 5.751 -9.636 1.00 0.00 C ATOM 0 H THR A 62 -11.401 5.057 -6.371 1.00 0.00 H new ATOM 0 HA THR A 62 -9.959 6.740 -6.347 1.00 0.00 H new ATOM 0 HB THR A 62 -8.783 5.083 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.398 7.848 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.713 5.381 -10.211 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.357 5.005 -9.641 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.929 6.675 -10.084 1.00 0.00 H new ATOM 927 N GLU A 63 -12.061 8.190 -7.662 1.00 0.00 N ATOM 928 CA GLU A 63 -12.669 9.407 -8.185 1.00 0.00 C ATOM 929 C GLU A 63 -13.252 10.253 -7.057 1.00 0.00 C ATOM 930 O GLU A 63 -14.452 10.210 -6.791 1.00 0.00 O ATOM 931 CB GLU A 63 -13.764 9.062 -9.197 1.00 0.00 C ATOM 932 CG GLU A 63 -14.691 7.951 -8.736 1.00 0.00 C ATOM 933 CD GLU A 63 -15.468 7.326 -9.880 1.00 0.00 C ATOM 934 OE1 GLU A 63 -16.256 8.049 -10.524 1.00 0.00 O ATOM 935 OE2 GLU A 63 -15.288 6.116 -10.129 1.00 0.00 O ATOM 0 H GLU A 63 -12.666 7.648 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.891 9.985 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.354 9.956 -9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.298 8.768 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.106 7.180 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.391 8.349 -8.001 1.00 0.00 H new ATOM 942 N ASN A 64 -12.392 11.022 -6.397 1.00 0.00 N ATOM 943 CA ASN A 64 -12.821 11.878 -5.297 1.00 0.00 C ATOM 944 C ASN A 64 -13.696 11.104 -4.315 1.00 0.00 C ATOM 945 O ASN A 64 -14.724 11.603 -3.855 1.00 0.00 O ATOM 946 CB ASN A 64 -13.585 13.089 -5.833 1.00 0.00 C ATOM 947 CG ASN A 64 -14.884 12.700 -6.510 1.00 0.00 C ATOM 948 OD1 ASN A 64 -14.824 12.472 -7.818 1.00 0.00 O flip ATOM 949 ND2 ASN A 64 -15.929 12.604 -5.867 1.00 0.00 N flip ATOM 0 H ASN A 64 -11.395 11.070 -6.605 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.931 12.223 -4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.797 13.774 -5.012 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.956 13.627 -6.542 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.929 12.788 -4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.795 12.340 -6.337 1.00 0.00 H new ATOM 956 N LEU A 65 -13.281 9.882 -3.997 1.00 0.00 N ATOM 957 CA LEU A 65 -14.027 9.039 -3.069 1.00 0.00 C ATOM 958 C LEU A 65 -14.510 9.845 -1.868 1.00 0.00 C ATOM 959 O LEU A 65 -14.074 10.974 -1.649 1.00 0.00 O ATOM 960 CB LEU A 65 -13.157 7.872 -2.598 1.00 0.00 C ATOM 961 CG LEU A 65 -12.612 6.956 -3.694 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.218 7.396 -4.113 1.00 0.00 C ATOM 963 CD2 LEU A 65 -12.597 5.509 -3.222 1.00 0.00 C ATOM 0 H LEU A 65 -12.433 9.454 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.898 8.647 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.314 8.276 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.740 7.267 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.269 7.028 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.846 6.732 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.258 8.417 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.550 7.355 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.206 4.872 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.963 5.421 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.611 5.197 -2.973 1.00 0.00 H new ATOM 975 N ASN A 66 -15.413 9.256 -1.090 1.00 0.00 N ATOM 976 CA ASN A 66 -15.954 9.919 0.090 1.00 0.00 C ATOM 977 C ASN A 66 -15.960 8.975 1.289 1.00 0.00 C ATOM 978 O ASN A 66 -15.607 7.802 1.170 1.00 0.00 O ATOM 979 CB ASN A 66 -17.374 10.419 -0.186 1.00 0.00 C ATOM 980 CG ASN A 66 -18.097 9.569 -1.213 1.00 0.00 C ATOM 981 OD1 ASN A 66 -17.818 9.650 -2.410 1.00 0.00 O ATOM 982 ND2 ASN A 66 -19.032 8.749 -0.749 1.00 0.00 N ATOM 0 H ASN A 66 -15.785 8.321 -1.256 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.315 10.771 0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -17.942 10.422 0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.331 11.450 -0.537 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.553 8.153 -1.392 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.230 8.715 0.251 1.00 0.00 H new ATOM 989 N ASP A 67 -16.366 9.496 2.442 1.00 0.00 N ATOM 990 CA ASP A 67 -16.420 8.700 3.663 1.00 0.00 C ATOM 991 C ASP A 67 -16.967 7.305 3.379 1.00 0.00 C ATOM 992 O ASP A 67 -16.698 6.359 4.119 1.00 0.00 O ATOM 993 CB ASP A 67 -17.286 9.397 4.713 1.00 0.00 C ATOM 994 CG ASP A 67 -16.782 10.787 5.050 1.00 0.00 C ATOM 995 OD1 ASP A 67 -15.885 10.900 5.911 1.00 0.00 O ATOM 996 OD2 ASP A 67 -17.286 11.761 4.453 1.00 0.00 O ATOM 0 H ASP A 67 -16.662 10.465 2.557 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.405 8.601 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -18.311 9.464 4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -17.309 8.793 5.620 1.00 0.00 H new ATOM 1001 N ASP A 68 -17.737 7.185 2.302 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.322 5.905 1.920 1.00 0.00 C ATOM 1003 C ASP A 68 -17.411 5.159 0.951 1.00 0.00 C ATOM 1004 O ASP A 68 -16.802 4.151 1.309 1.00 0.00 O ATOM 1005 CB ASP A 68 -19.698 6.119 1.286 1.00 0.00 C ATOM 1006 CG ASP A 68 -20.758 6.476 2.308 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -20.603 6.086 3.484 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -21.745 7.143 1.932 1.00 0.00 O ATOM 0 H ASP A 68 -17.970 7.958 1.679 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.435 5.301 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.632 6.913 0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.997 5.213 0.759 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.324 5.661 -0.277 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.489 5.039 -1.298 1.00 0.00 C ATOM 1015 C GLU A 69 -15.094 4.746 -0.754 1.00 0.00 C ATOM 1016 O GLU A 69 -14.592 3.627 -0.872 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.388 5.945 -2.528 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.715 6.564 -2.937 1.00 0.00 C ATOM 1019 CD GLU A 69 -17.755 6.937 -4.407 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -16.928 6.404 -5.176 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.611 7.761 -4.787 1.00 0.00 O ATOM 0 H GLU A 69 -17.821 6.496 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 69 -16.954 4.096 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.672 6.741 -2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.993 5.367 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.521 5.862 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.898 7.454 -2.335 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.471 5.758 -0.160 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.135 5.609 0.403 1.00 0.00 C ATOM 1030 C LYS A 70 -13.009 4.296 1.169 1.00 0.00 C ATOM 1031 O LYS A 70 -12.040 3.555 0.997 1.00 0.00 O ATOM 1032 CB LYS A 70 -12.817 6.785 1.331 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.760 8.125 0.616 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.510 9.264 1.590 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.883 10.463 0.894 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.980 11.698 1.722 1.00 0.00 N ATOM 0 H LYS A 70 -14.871 6.691 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.421 5.598 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.572 6.833 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.860 6.603 1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.969 8.105 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.697 8.296 0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.451 9.561 2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.854 8.922 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.836 10.251 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.378 10.627 -0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.542 12.492 1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.980 11.915 1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.486 11.550 2.625 1.00 0.00 H new ATOM 1050 N LEU A 71 -13.994 4.012 2.013 1.00 0.00 N ATOM 1051 CA LEU A 71 -13.994 2.786 2.804 1.00 0.00 C ATOM 1052 C LEU A 71 -13.978 1.556 1.902 1.00 0.00 C ATOM 1053 O LEU A 71 -13.036 0.765 1.933 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.220 2.746 3.718 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.432 1.449 4.500 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.290 1.225 5.481 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -16.766 1.479 5.232 1.00 0.00 C ATOM 0 H LEU A 71 -14.803 4.614 2.168 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.092 2.777 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.144 3.568 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.107 2.930 3.111 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.446 0.619 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.457 0.298 6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.349 1.159 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.245 2.058 6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.900 0.548 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -16.780 2.318 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.575 1.593 4.510 1.00 0.00 H new ATOM 1069 N ASN A 72 -15.025 1.404 1.098 1.00 0.00 N ATOM 1070 CA ASN A 72 -15.129 0.270 0.186 1.00 0.00 C ATOM 1071 C ASN A 72 -13.767 -0.080 -0.404 1.00 0.00 C ATOM 1072 O ASN A 72 -13.393 -1.250 -0.475 1.00 0.00 O ATOM 1073 CB ASN A 72 -16.119 0.585 -0.938 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.505 0.907 -0.415 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -17.698 2.146 0.024 1.00 0.00 O flip ATOM 1076 ND2 ASN A 72 -18.392 0.053 -0.406 1.00 0.00 N flip ATOM 0 H ASN A 72 -15.813 2.051 1.059 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.491 -0.589 0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.748 1.429 -1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.178 -0.267 -1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.199 -0.886 -0.753 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -19.320 0.285 -0.051 1.00 0.00 H new ATOM 1083 N ASN A 73 -13.029 0.942 -0.825 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.707 0.742 -1.409 1.00 0.00 C ATOM 1085 C ASN A 73 -10.735 0.183 -0.375 1.00 0.00 C ATOM 1086 O ASN A 73 -9.906 -0.671 -0.686 1.00 0.00 O ATOM 1087 CB ASN A 73 -11.171 2.060 -1.971 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.535 2.257 -3.430 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.230 1.432 -4.025 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.065 3.353 -4.014 1.00 0.00 N ATOM 0 H ASN A 73 -13.324 1.917 -0.773 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.800 0.020 -2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.567 2.889 -1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.087 2.083 -1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.276 3.539 -4.994 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.493 4.009 -3.482 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.844 0.672 0.857 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.976 0.221 1.937 1.00 0.00 C ATOM 1099 C ALA A 74 -10.057 -1.293 2.111 1.00 0.00 C ATOM 1100 O ALA A 74 -9.048 -1.957 2.345 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.342 0.923 3.236 1.00 0.00 C ATOM 0 H ALA A 74 -11.525 1.380 1.131 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.949 0.476 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.686 0.577 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.226 2.000 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.377 0.696 3.493 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.266 -1.833 1.995 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.481 -3.268 2.137 1.00 0.00 C ATOM 1109 C LYS A 75 -10.767 -4.037 1.032 1.00 0.00 C ATOM 1110 O LYS A 75 -10.158 -5.078 1.279 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.977 -3.585 2.110 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.696 -3.238 3.403 1.00 0.00 C ATOM 1113 CD LYS A 75 -14.307 -1.848 3.345 1.00 0.00 C ATOM 1114 CE LYS A 75 -15.729 -1.886 2.808 1.00 0.00 C ATOM 1115 NZ LYS A 75 -16.661 -2.558 3.755 1.00 0.00 N ATOM 0 H LYS A 75 -12.113 -1.297 1.803 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.068 -3.579 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.441 -3.039 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.111 -4.647 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.478 -3.973 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.996 -3.294 4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.305 -1.407 4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.695 -1.206 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.073 -0.869 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.742 -2.410 1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.631 -2.226 3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.617 -3.587 3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.387 -2.330 4.732 1.00 0.00 H new ATOM 1129 N TYR A 76 -10.843 -3.517 -0.189 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.205 -4.157 -1.334 1.00 0.00 C ATOM 1131 C TYR A 76 -8.703 -4.302 -1.108 1.00 0.00 C ATOM 1132 O TYR A 76 -8.136 -5.378 -1.302 1.00 0.00 O ATOM 1133 CB TYR A 76 -10.465 -3.349 -2.606 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.242 -4.135 -3.879 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -10.872 -5.358 -4.082 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.403 -3.657 -4.876 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -10.671 -6.080 -5.242 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.197 -4.372 -6.040 1.00 0.00 C ATOM 1139 CZ TYR A 76 -9.833 -5.582 -6.218 1.00 0.00 C ATOM 1140 OH TYR A 76 -9.630 -6.299 -7.375 1.00 0.00 O ATOM 0 H TYR A 76 -11.340 -2.654 -0.411 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.635 -5.152 -1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.491 -2.983 -2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.814 -2.474 -2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.529 -5.750 -3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.903 -2.710 -4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.167 -7.029 -5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.541 -3.985 -6.806 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.014 -5.810 -7.959 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.064 -3.212 -0.698 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.629 -3.218 -0.444 1.00 0.00 C ATOM 1152 C ALA A 77 -6.246 -4.335 0.521 1.00 0.00 C ATOM 1153 O ALA A 77 -5.504 -5.250 0.163 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.185 -1.869 0.105 1.00 0.00 C ATOM 0 H ALA A 77 -8.518 -2.313 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.119 -3.400 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.111 -1.887 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.415 -1.088 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.711 -1.665 1.038 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.757 -4.254 1.745 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.469 -5.260 2.760 1.00 0.00 C ATOM 1162 C ILE A 78 -6.924 -6.643 2.309 1.00 0.00 C ATOM 1163 O ILE A 78 -6.328 -7.655 2.678 1.00 0.00 O ATOM 1164 CB ILE A 78 -7.151 -4.919 4.099 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.625 -3.587 4.640 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.921 -6.034 5.109 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.512 -2.973 5.699 1.00 0.00 C ATOM 0 H ILE A 78 -7.372 -3.503 2.058 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.388 -5.265 2.902 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.223 -4.823 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.629 -3.741 5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.520 -2.884 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.409 -5.779 6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.338 -6.965 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.851 -6.158 5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.078 -2.032 6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.502 -2.787 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.597 -3.657 6.544 1.00 0.00 H new ATOM 1179 N SER A 79 -7.983 -6.679 1.506 1.00 0.00 N ATOM 1180 CA SER A 79 -8.520 -7.939 1.005 1.00 0.00 C ATOM 1181 C SER A 79 -7.590 -8.548 -0.041 1.00 0.00 C ATOM 1182 O SER A 79 -7.538 -9.766 -0.205 1.00 0.00 O ATOM 1183 CB SER A 79 -9.910 -7.722 0.404 1.00 0.00 C ATOM 1184 OG SER A 79 -10.907 -7.727 1.410 1.00 0.00 O ATOM 0 H SER A 79 -8.486 -5.850 1.189 1.00 0.00 H new ATOM 0 HA SER A 79 -8.599 -8.631 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.934 -6.773 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.121 -8.505 -0.325 1.00 0.00 H new ATOM 0 HG SER A 79 -11.042 -6.815 1.741 1.00 0.00 H new ATOM 1190 N MET A 80 -6.859 -7.689 -0.745 1.00 0.00 N ATOM 1191 CA MET A 80 -5.931 -8.142 -1.773 1.00 0.00 C ATOM 1192 C MET A 80 -4.609 -8.587 -1.155 1.00 0.00 C ATOM 1193 O MET A 80 -4.040 -9.606 -1.548 1.00 0.00 O ATOM 1194 CB MET A 80 -5.681 -7.028 -2.792 1.00 0.00 C ATOM 1195 CG MET A 80 -4.871 -7.477 -3.997 1.00 0.00 C ATOM 1196 SD MET A 80 -5.662 -8.817 -4.907 1.00 0.00 S ATOM 1197 CE MET A 80 -7.277 -8.108 -5.217 1.00 0.00 C ATOM 0 H MET A 80 -6.892 -6.677 -0.622 1.00 0.00 H new ATOM 0 HA MET A 80 -6.380 -8.996 -2.281 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.640 -6.638 -3.134 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.160 -6.207 -2.300 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.721 -6.629 -4.665 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.884 -7.801 -3.666 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.795 -8.699 -5.973 1.00 0.00 H new ATOM 0 HE2 MET A 80 -7.858 -8.109 -4.295 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.163 -7.084 -5.572 1.00 0.00 H new ATOM 1207 N ALA A 81 -4.125 -7.817 -0.187 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.871 -8.133 0.487 1.00 0.00 C ATOM 1209 C ALA A 81 -2.796 -9.615 0.841 1.00 0.00 C ATOM 1210 O ALA A 81 -1.946 -10.343 0.330 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.714 -7.280 1.737 1.00 0.00 C ATOM 0 H ALA A 81 -4.582 -6.969 0.149 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.053 -7.908 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.774 -7.527 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.713 -6.226 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.543 -7.476 2.418 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.693 -10.053 1.718 1.00 0.00 N ATOM 1218 CA ARG A 82 -3.727 -11.449 2.143 1.00 0.00 C ATOM 1219 C ARG A 82 -3.981 -12.372 0.955 1.00 0.00 C ATOM 1220 O ARG A 82 -3.566 -13.531 0.956 1.00 0.00 O ATOM 1221 CB ARG A 82 -4.810 -11.654 3.204 1.00 0.00 C ATOM 1222 CG ARG A 82 -6.218 -11.707 2.634 1.00 0.00 C ATOM 1223 CD ARG A 82 -6.628 -13.131 2.292 1.00 0.00 C ATOM 1224 NE ARG A 82 -6.704 -13.978 3.479 1.00 0.00 N ATOM 1225 CZ ARG A 82 -6.878 -15.294 3.432 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -6.993 -15.910 2.263 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -6.936 -15.998 4.556 1.00 0.00 N ATOM 0 H ARG A 82 -4.405 -9.463 2.148 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.756 -11.697 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.609 -12.581 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.752 -10.845 3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.920 -11.289 3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.273 -11.087 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.597 -13.119 1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.912 -13.556 1.589 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.619 -13.535 4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.948 -15.373 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.127 -16.921 2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.847 -15.528 5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.070 -17.009 4.519 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.666 -11.851 -0.057 1.00 0.00 N ATOM 1242 CA LYS A 83 -4.976 -12.626 -1.252 1.00 0.00 C ATOM 1243 C LYS A 83 -3.699 -13.108 -1.934 1.00 0.00 C ATOM 1244 O LYS A 83 -3.498 -14.309 -2.117 1.00 0.00 O ATOM 1245 CB LYS A 83 -5.803 -11.788 -2.229 1.00 0.00 C ATOM 1246 CG LYS A 83 -6.653 -12.619 -3.175 1.00 0.00 C ATOM 1247 CD LYS A 83 -8.010 -11.978 -3.414 1.00 0.00 C ATOM 1248 CE LYS A 83 -8.537 -12.292 -4.807 1.00 0.00 C ATOM 1249 NZ LYS A 83 -9.626 -11.360 -5.211 1.00 0.00 N ATOM 0 H LYS A 83 -5.018 -10.894 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.557 -13.497 -0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.452 -11.120 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.132 -11.160 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.132 -12.736 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.789 -13.618 -2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.719 -12.335 -2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.931 -10.898 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.721 -12.230 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.908 -13.317 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.958 -11.607 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.416 -11.437 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.266 -10.384 -5.211 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.839 -12.165 -2.305 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.582 -12.495 -2.963 1.00 0.00 C ATOM 1265 C ILE A 84 -0.629 -13.203 -2.006 1.00 0.00 C ATOM 1266 O ILE A 84 0.186 -14.024 -2.420 1.00 0.00 O ATOM 1267 CB ILE A 84 -0.892 -11.236 -3.520 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.646 -10.224 -2.399 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -1.732 -10.616 -4.627 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.420 -9.203 -2.729 1.00 0.00 C ATOM 0 H ILE A 84 -2.990 -11.167 -2.161 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.824 -13.163 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 84 0.071 -11.524 -3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.579 -9.705 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.357 -10.759 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.230 -9.727 -5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.859 -11.337 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.709 -10.339 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.541 -8.519 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.365 -9.712 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.124 -8.641 -3.615 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.740 -12.878 -0.722 1.00 0.00 N ATOM 1283 CA GLY A 85 0.117 -13.492 0.276 1.00 0.00 C ATOM 1284 C GLY A 85 0.825 -12.470 1.142 1.00 0.00 C ATOM 1285 O GLY A 85 2.023 -12.238 0.988 1.00 0.00 O ATOM 0 H GLY A 85 -1.408 -12.200 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.480 -14.148 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.858 -14.117 -0.222 1.00 0.00 H new ATOM 1289 N ALA A 86 0.081 -11.855 2.056 1.00 0.00 N ATOM 1290 CA ALA A 86 0.644 -10.852 2.951 1.00 0.00 C ATOM 1291 C ALA A 86 -0.271 -10.605 4.145 1.00 0.00 C ATOM 1292 O ALA A 86 -1.324 -9.980 4.014 1.00 0.00 O ATOM 1293 CB ALA A 86 0.894 -9.554 2.198 1.00 0.00 C ATOM 0 H ALA A 86 -0.913 -12.034 2.196 1.00 0.00 H new ATOM 0 HA ALA A 86 1.594 -11.230 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.315 -8.814 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.594 -9.736 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.047 -9.181 1.793 1.00 0.00 H new ATOM 1299 N ARG A 87 0.137 -11.100 5.310 1.00 0.00 N ATOM 1300 CA ARG A 87 -0.648 -10.934 6.527 1.00 0.00 C ATOM 1301 C ARG A 87 -0.854 -9.456 6.844 1.00 0.00 C ATOM 1302 O ARG A 87 0.092 -8.668 6.820 1.00 0.00 O ATOM 1303 CB ARG A 87 0.041 -11.629 7.702 1.00 0.00 C ATOM 1304 CG ARG A 87 -0.277 -13.111 7.806 1.00 0.00 C ATOM 1305 CD ARG A 87 0.153 -13.682 9.148 1.00 0.00 C ATOM 1306 NE ARG A 87 1.530 -14.168 9.121 1.00 0.00 N ATOM 1307 CZ ARG A 87 2.200 -14.540 10.206 1.00 0.00 C ATOM 1308 NH1 ARG A 87 1.621 -14.483 11.398 1.00 0.00 N ATOM 1309 NH2 ARG A 87 3.450 -14.971 10.100 1.00 0.00 N ATOM 0 H ARG A 87 1.006 -11.619 5.436 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.624 -11.392 6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.119 -11.504 7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.255 -11.137 8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.348 -13.265 7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.226 -13.649 7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.054 -12.915 9.916 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.514 -14.498 9.425 1.00 0.00 H new ATOM 0 HE ARG A 87 2.003 -14.225 8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.660 -14.153 11.483 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.137 -14.769 12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.898 -15.017 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.964 -15.256 10.934 1.00 0.00 H new ATOM 1323 N VAL A 88 -2.095 -9.087 7.142 1.00 0.00 N ATOM 1324 CA VAL A 88 -2.425 -7.703 7.466 1.00 0.00 C ATOM 1325 C VAL A 88 -3.317 -7.625 8.700 1.00 0.00 C ATOM 1326 O VAL A 88 -4.425 -8.162 8.712 1.00 0.00 O ATOM 1327 CB VAL A 88 -3.132 -7.005 6.290 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -3.524 -5.586 6.669 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -2.242 -7.009 5.055 1.00 0.00 C ATOM 0 H VAL A 88 -2.889 -9.727 7.166 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.484 -7.192 7.669 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.042 -7.558 6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.022 -5.109 5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.201 -5.611 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.630 -5.019 6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.758 -6.512 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.314 -6.481 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.017 -8.037 4.772 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.827 -6.952 9.735 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.580 -6.805 10.975 1.00 0.00 C ATOM 1341 C TYR A 89 -4.094 -5.377 11.135 1.00 0.00 C ATOM 1342 O TYR A 89 -3.807 -4.709 12.127 1.00 0.00 O ATOM 1343 CB TYR A 89 -2.706 -7.180 12.174 1.00 0.00 C ATOM 1344 CG TYR A 89 -3.484 -7.775 13.327 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -4.474 -7.044 13.971 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -3.227 -9.065 13.772 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -5.187 -7.582 15.026 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -3.936 -9.612 14.824 1.00 0.00 C ATOM 1349 CZ TYR A 89 -4.914 -8.867 15.447 1.00 0.00 C ATOM 1350 OH TYR A 89 -5.621 -9.407 16.497 1.00 0.00 O ATOM 0 H TYR A 89 -1.913 -6.500 9.740 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.436 -7.478 10.932 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.948 -7.894 11.851 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.180 -6.291 12.522 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.690 -6.038 13.642 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.460 -9.651 13.287 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.953 -7.000 15.517 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.725 -10.618 15.156 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.308 -10.320 16.667 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.857 -4.917 10.148 1.00 0.00 N ATOM 1361 CA ALA A 90 -5.414 -3.570 10.178 1.00 0.00 C ATOM 1362 C ALA A 90 -6.915 -3.591 9.911 1.00 0.00 C ATOM 1363 O ALA A 90 -7.520 -4.657 9.790 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.707 -2.684 9.163 1.00 0.00 C ATOM 0 H ALA A 90 -5.103 -5.457 9.319 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.255 -3.159 11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.133 -1.681 9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.644 -2.635 9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.837 -3.100 8.164 1.00 0.00 H new ATOM 1370 N LEU A 91 -7.511 -2.407 9.822 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.944 -2.289 9.570 1.00 0.00 C ATOM 1372 C LEU A 91 -9.219 -1.297 8.445 1.00 0.00 C ATOM 1373 O LEU A 91 -8.647 -0.208 8.392 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.671 -1.851 10.843 1.00 0.00 C ATOM 1375 CG LEU A 91 -11.155 -2.211 10.925 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -11.332 -3.714 11.076 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -11.818 -1.475 12.081 1.00 0.00 C ATOM 0 H LEU A 91 -7.025 -1.516 9.920 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.317 -3.267 9.265 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.162 -2.294 11.699 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.574 -0.770 10.939 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.637 -1.901 9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.394 -3.951 11.133 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.892 -4.220 10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.836 -4.049 11.987 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.874 -1.743 12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.333 -1.755 13.016 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.722 -0.400 11.930 1.00 0.00 H new ATOM 1389 N PRO A 92 -10.118 -1.678 7.526 1.00 0.00 N ATOM 1390 CA PRO A 92 -10.492 -0.834 6.387 1.00 0.00 C ATOM 1391 C PRO A 92 -11.299 0.388 6.811 1.00 0.00 C ATOM 1392 O PRO A 92 -11.538 1.292 6.012 1.00 0.00 O ATOM 1393 CB PRO A 92 -11.346 -1.764 5.522 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.895 -2.770 6.474 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.839 -2.962 7.528 1.00 0.00 C ATOM 0 HA PRO A 92 -9.618 -0.433 5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.144 -1.216 5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.749 -2.240 4.744 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.828 -2.421 6.916 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.115 -3.709 5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.278 -3.175 8.503 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.178 -3.795 7.288 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.715 0.408 8.074 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.496 1.520 8.603 1.00 0.00 C ATOM 1405 C GLU A 93 -11.586 2.670 9.027 1.00 0.00 C ATOM 1406 O GLU A 93 -11.915 3.841 8.833 1.00 0.00 O ATOM 1407 CB GLU A 93 -13.341 1.058 9.792 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.541 0.216 9.395 1.00 0.00 C ATOM 1409 CD GLU A 93 -15.520 0.021 10.536 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.065 -0.243 11.668 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -16.741 0.132 10.297 1.00 0.00 O ATOM 0 H GLU A 93 -11.524 -0.333 8.749 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.158 1.875 7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.713 0.482 10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.688 1.933 10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.053 0.692 8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.197 -0.758 9.046 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.442 2.327 9.609 1.00 0.00 N ATOM 1419 CA ASP A 94 -9.484 3.330 10.060 1.00 0.00 C ATOM 1420 C ASP A 94 -8.514 3.698 8.941 1.00 0.00 C ATOM 1421 O ASP A 94 -7.943 4.789 8.935 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.709 2.815 11.274 1.00 0.00 C ATOM 1423 CG ASP A 94 -9.446 3.057 12.577 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -9.677 4.237 12.918 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -9.794 2.068 13.254 1.00 0.00 O ATOM 0 H ASP A 94 -10.156 1.363 9.779 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.038 4.224 10.344 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.525 1.747 11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.736 3.304 11.314 1.00 0.00 H new ATOM 1430 N LEU A 95 -8.332 2.782 7.998 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.430 3.009 6.873 1.00 0.00 C ATOM 1432 C LEU A 95 -7.877 4.213 6.053 1.00 0.00 C ATOM 1433 O LEU A 95 -7.066 4.863 5.393 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.368 1.765 5.985 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.755 1.962 4.598 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.406 2.656 4.705 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.612 0.626 3.884 1.00 0.00 C ATOM 0 H LEU A 95 -8.797 1.874 7.989 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.436 3.213 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.796 0.998 6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.380 1.380 5.862 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.422 2.595 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.985 2.788 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.534 3.630 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.731 2.048 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.174 0.785 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.966 -0.031 4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.594 0.165 3.775 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.173 4.508 6.099 1.00 0.00 N ATOM 1450 CA VAL A 96 -9.728 5.636 5.362 1.00 0.00 C ATOM 1451 C VAL A 96 -9.167 6.957 5.876 1.00 0.00 C ATOM 1452 O VAL A 96 -8.933 7.886 5.104 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.264 5.670 5.460 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -11.795 7.041 5.068 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -11.878 4.584 4.589 1.00 0.00 C ATOM 0 H VAL A 96 -9.858 3.980 6.640 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.442 5.504 4.319 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.548 5.479 6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.882 7.045 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.382 7.796 5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.502 7.265 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.964 4.623 4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.586 4.742 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.524 3.608 4.921 1.00 0.00 H new ATOM 1465 N GLU A 97 -8.954 7.034 7.186 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.421 8.242 7.805 1.00 0.00 C ATOM 1467 C GLU A 97 -6.897 8.194 7.866 1.00 0.00 C ATOM 1468 O GLU A 97 -6.272 8.923 8.638 1.00 0.00 O ATOM 1469 CB GLU A 97 -8.994 8.417 9.212 1.00 0.00 C ATOM 1470 CG GLU A 97 -10.461 8.814 9.226 1.00 0.00 C ATOM 1471 CD GLU A 97 -10.901 9.374 10.565 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -10.431 8.866 11.604 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -11.715 10.321 10.572 1.00 0.00 O ATOM 0 H GLU A 97 -9.143 6.274 7.839 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.716 9.094 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.873 7.484 9.763 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.416 9.176 9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.640 9.557 8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.071 7.944 8.982 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.304 7.330 7.049 1.00 0.00 N ATOM 1481 CA VAL A 98 -4.853 7.186 7.010 1.00 0.00 C ATOM 1482 C VAL A 98 -4.291 6.900 8.398 1.00 0.00 C ATOM 1483 O VAL A 98 -3.161 7.270 8.710 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.179 8.452 6.447 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -2.680 8.239 6.302 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -4.802 8.839 5.114 1.00 0.00 C ATOM 0 H VAL A 98 -6.806 6.719 6.405 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.636 6.344 6.353 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.339 9.271 7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.221 9.144 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.249 8.013 7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.495 7.408 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.314 9.735 4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.674 8.024 4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.865 9.036 5.253 1.00 0.00 H new ATOM 1496 N ASN A 99 -5.090 6.235 9.227 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.672 5.897 10.583 1.00 0.00 C ATOM 1498 C ASN A 99 -3.228 5.405 10.601 1.00 0.00 C ATOM 1499 O ASN A 99 -2.930 4.266 10.243 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.595 4.827 11.172 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.831 5.422 11.816 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -7.470 6.355 11.122 1.00 0.00 O flip ATOM 1503 ND2 ASN A 99 -7.208 5.045 12.926 1.00 0.00 N flip ATOM 0 H ASN A 99 -6.029 5.920 8.984 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.737 6.799 11.192 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.896 4.137 10.384 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.046 4.246 11.913 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.686 4.324 13.424 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.043 5.453 13.347 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.309 6.284 11.028 1.00 0.00 N ATOM 1511 CA PRO A 100 -0.881 5.962 11.104 1.00 0.00 C ATOM 1512 C PRO A 100 -0.573 4.955 12.207 1.00 0.00 C ATOM 1513 O PRO A 100 0.581 4.577 12.411 1.00 0.00 O ATOM 1514 CB PRO A 100 -0.229 7.312 11.415 1.00 0.00 C ATOM 1515 CG PRO A 100 -1.296 8.101 12.089 1.00 0.00 C ATOM 1516 CD PRO A 100 -2.593 7.660 11.469 1.00 0.00 C ATOM 0 HA PRO A 100 -0.518 5.499 10.186 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.642 7.192 12.060 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.113 7.805 10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.296 7.919 13.164 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.139 9.170 11.947 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.413 7.691 12.187 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.877 8.299 10.633 1.00 0.00 H new ATOM 1524 N LYS A 101 -1.610 4.521 12.914 1.00 0.00 N ATOM 1525 CA LYS A 101 -1.451 3.556 13.994 1.00 0.00 C ATOM 1526 C LYS A 101 -1.552 2.129 13.468 1.00 0.00 C ATOM 1527 O LYS A 101 -0.991 1.200 14.051 1.00 0.00 O ATOM 1528 CB LYS A 101 -2.511 3.789 15.074 1.00 0.00 C ATOM 1529 CG LYS A 101 -2.487 5.191 15.657 1.00 0.00 C ATOM 1530 CD LYS A 101 -3.834 5.571 16.248 1.00 0.00 C ATOM 1531 CE LYS A 101 -3.982 5.061 17.674 1.00 0.00 C ATOM 1532 NZ LYS A 101 -5.127 5.701 18.377 1.00 0.00 N ATOM 0 H LYS A 101 -2.572 4.823 12.758 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.461 3.695 14.429 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.497 3.597 14.651 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.363 3.068 15.878 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.720 5.252 16.429 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.215 5.905 14.880 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.945 6.655 16.235 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.632 5.161 15.629 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.123 3.980 17.660 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.063 5.255 18.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.193 5.326 19.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.981 6.730 18.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.008 5.494 17.865 1.00 0.00 H new ATOM 1546 N MET A 102 -2.269 1.960 12.362 1.00 0.00 N ATOM 1547 CA MET A 102 -2.440 0.645 11.756 1.00 0.00 C ATOM 1548 C MET A 102 -1.580 0.507 10.503 1.00 0.00 C ATOM 1549 O MET A 102 -1.074 -0.574 10.202 1.00 0.00 O ATOM 1550 CB MET A 102 -3.911 0.407 11.407 1.00 0.00 C ATOM 1551 CG MET A 102 -4.443 1.351 10.343 1.00 0.00 C ATOM 1552 SD MET A 102 -6.181 1.060 9.961 1.00 0.00 S ATOM 1553 CE MET A 102 -6.697 0.142 11.411 1.00 0.00 C ATOM 0 H MET A 102 -2.741 2.717 11.867 1.00 0.00 H new ATOM 0 HA MET A 102 -2.120 -0.104 12.480 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.033 -0.620 11.063 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.512 0.515 12.310 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.317 2.380 10.680 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.852 1.238 9.434 1.00 0.00 H new ATOM 0 HE1 MET A 102 -7.765 -0.066 11.349 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.147 -0.798 11.462 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.493 0.730 12.306 1.00 0.00 H new ATOM 1563 N VAL A 103 -1.420 1.608 9.777 1.00 0.00 N ATOM 1564 CA VAL A 103 -0.622 1.610 8.557 1.00 0.00 C ATOM 1565 C VAL A 103 0.711 0.903 8.772 1.00 0.00 C ATOM 1566 O VAL A 103 1.345 0.450 7.820 1.00 0.00 O ATOM 1567 CB VAL A 103 -0.356 3.045 8.063 1.00 0.00 C ATOM 1568 CG1 VAL A 103 0.406 3.023 6.747 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -1.663 3.809 7.919 1.00 0.00 C ATOM 0 H VAL A 103 -1.833 2.511 10.012 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.197 1.074 7.801 1.00 0.00 H new ATOM 0 HB VAL A 103 0.258 3.558 8.803 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.585 4.045 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.360 2.515 6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.180 2.493 5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.457 4.821 7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.305 3.300 7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.166 3.855 8.885 1.00 0.00 H new ATOM 1579 N MET A 104 1.131 0.813 10.030 1.00 0.00 N ATOM 1580 CA MET A 104 2.389 0.159 10.371 1.00 0.00 C ATOM 1581 C MET A 104 2.511 -1.188 9.665 1.00 0.00 C ATOM 1582 O MET A 104 3.546 -1.503 9.078 1.00 0.00 O ATOM 1583 CB MET A 104 2.495 -0.033 11.884 1.00 0.00 C ATOM 1584 CG MET A 104 1.149 -0.185 12.573 1.00 0.00 C ATOM 1585 SD MET A 104 1.235 -1.222 14.046 1.00 0.00 S ATOM 1586 CE MET A 104 -0.273 -2.174 13.878 1.00 0.00 C ATOM 0 H MET A 104 0.619 1.185 10.830 1.00 0.00 H new ATOM 0 HA MET A 104 3.205 0.799 10.036 1.00 0.00 H new ATOM 0 HB2 MET A 104 3.100 -0.916 12.088 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.020 0.820 12.314 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.773 0.800 12.849 1.00 0.00 H new ATOM 0 HG3 MET A 104 0.433 -0.615 11.872 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.115 -3.179 14.270 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.074 -1.689 14.436 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.550 -2.234 12.825 1.00 0.00 H new ATOM 1596 N THR A 105 1.445 -1.980 9.726 1.00 0.00 N ATOM 1597 CA THR A 105 1.432 -3.295 9.095 1.00 0.00 C ATOM 1598 C THR A 105 0.959 -3.205 7.650 1.00 0.00 C ATOM 1599 O THR A 105 1.460 -3.912 6.776 1.00 0.00 O ATOM 1600 CB THR A 105 0.526 -4.277 9.861 1.00 0.00 C ATOM 1601 OG1 THR A 105 -0.814 -3.774 9.906 1.00 0.00 O ATOM 1602 CG2 THR A 105 1.038 -4.496 11.276 1.00 0.00 C ATOM 0 H THR A 105 0.579 -1.734 10.206 1.00 0.00 H new ATOM 0 HA THR A 105 2.456 -3.667 9.117 1.00 0.00 H new ATOM 0 HB THR A 105 0.538 -5.232 9.336 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.384 -4.405 10.393 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.381 -5.193 11.797 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.047 -4.907 11.238 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.053 -3.545 11.809 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.012 -2.331 7.402 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.553 -2.147 6.061 1.00 0.00 C ATOM 1612 C VAL A 106 0.546 -2.237 5.009 1.00 0.00 C ATOM 1613 O VAL A 106 0.422 -2.971 4.028 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.269 -0.790 5.925 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.659 -0.535 4.477 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.489 -0.739 6.832 1.00 0.00 C ATOM 0 H VAL A 106 -0.440 -1.739 8.114 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.275 -2.947 5.898 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.582 -0.003 6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.164 0.428 4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.764 -0.526 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.329 -1.324 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.983 0.227 6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.181 -1.534 6.555 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.178 -0.873 7.868 1.00 0.00 H new ATOM 1626 N PHE A 107 1.622 -1.486 5.219 1.00 0.00 N ATOM 1627 CA PHE A 107 2.744 -1.481 4.287 1.00 0.00 C ATOM 1628 C PHE A 107 3.729 -2.600 4.615 1.00 0.00 C ATOM 1629 O PHE A 107 4.263 -3.252 3.719 1.00 0.00 O ATOM 1630 CB PHE A 107 3.460 -0.130 4.326 1.00 0.00 C ATOM 1631 CG PHE A 107 2.849 0.899 3.417 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.542 0.586 2.103 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.581 2.178 3.877 1.00 0.00 C ATOM 1634 CE1 PHE A 107 1.980 1.531 1.265 1.00 0.00 C ATOM 1635 CE2 PHE A 107 2.018 3.127 3.044 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.717 2.802 1.736 1.00 0.00 C ATOM 0 H PHE A 107 1.741 -0.873 6.026 1.00 0.00 H new ATOM 0 HA PHE A 107 2.351 -1.648 3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.450 0.248 5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.505 -0.273 4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 107 2.744 -0.407 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.815 2.437 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.747 1.275 0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.814 4.120 3.415 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.277 3.541 1.083 1.00 0.00 H new ATOM 1646 N ALA A 108 3.963 -2.814 5.906 1.00 0.00 N ATOM 1647 CA ALA A 108 4.882 -3.854 6.352 1.00 0.00 C ATOM 1648 C ALA A 108 4.787 -5.090 5.464 1.00 0.00 C ATOM 1649 O ALA A 108 5.728 -5.419 4.740 1.00 0.00 O ATOM 1650 CB ALA A 108 4.597 -4.221 7.802 1.00 0.00 C ATOM 0 H ALA A 108 3.529 -2.282 6.660 1.00 0.00 H new ATOM 0 HA ALA A 108 5.897 -3.464 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.290 -4.999 8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.723 -3.340 8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.574 -4.587 7.890 1.00 0.00 H new ATOM 1656 N CYS A 109 3.647 -5.769 5.522 1.00 0.00 N ATOM 1657 CA CYS A 109 3.431 -6.968 4.722 1.00 0.00 C ATOM 1658 C CYS A 109 3.967 -6.784 3.306 1.00 0.00 C ATOM 1659 O CYS A 109 4.456 -7.730 2.688 1.00 0.00 O ATOM 1660 CB CYS A 109 1.941 -7.314 4.674 1.00 0.00 C ATOM 1661 SG CYS A 109 0.906 -6.016 3.955 1.00 0.00 S ATOM 0 H CYS A 109 2.858 -5.509 6.115 1.00 0.00 H new ATOM 0 HA CYS A 109 3.973 -7.788 5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.810 -8.230 4.098 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.594 -7.522 5.686 1.00 0.00 H new ATOM 0 HG CYS A 109 1.243 -4.865 4.456 1.00 0.00 H new ATOM 1667 N LEU A 110 3.874 -5.561 2.799 1.00 0.00 N ATOM 1668 CA LEU A 110 4.349 -5.250 1.455 1.00 0.00 C ATOM 1669 C LEU A 110 5.847 -4.962 1.461 1.00 0.00 C ATOM 1670 O LEU A 110 6.644 -5.757 0.964 1.00 0.00 O ATOM 1671 CB LEU A 110 3.588 -4.050 0.888 1.00 0.00 C ATOM 1672 CG LEU A 110 2.073 -4.211 0.769 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.410 -2.866 0.521 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.726 -5.192 -0.343 1.00 0.00 C ATOM 0 H LEU A 110 3.474 -4.767 3.298 1.00 0.00 H new ATOM 0 HA LEU A 110 4.167 -6.118 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.793 -3.185 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.988 -3.826 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 110 1.695 -4.610 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.332 -3.002 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.629 -2.194 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.793 -2.437 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.643 -5.294 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.118 -4.822 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.169 -6.163 -0.122 1.00 0.00 H new ATOM 1686 N MET A 111 6.221 -3.819 2.027 1.00 0.00 N ATOM 1687 CA MET A 111 7.624 -3.427 2.100 1.00 0.00 C ATOM 1688 C MET A 111 8.504 -4.621 2.457 1.00 0.00 C ATOM 1689 O MET A 111 9.690 -4.649 2.131 1.00 0.00 O ATOM 1690 CB MET A 111 7.812 -2.315 3.133 1.00 0.00 C ATOM 1691 CG MET A 111 8.009 -2.827 4.550 1.00 0.00 C ATOM 1692 SD MET A 111 9.704 -3.355 4.868 1.00 0.00 S ATOM 1693 CE MET A 111 10.616 -1.918 4.310 1.00 0.00 C ATOM 0 H MET A 111 5.573 -3.149 2.441 1.00 0.00 H new ATOM 0 HA MET A 111 7.923 -3.057 1.119 1.00 0.00 H new ATOM 0 HB2 MET A 111 8.674 -1.711 2.851 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.942 -1.659 3.110 1.00 0.00 H new ATOM 0 HG2 MET A 111 7.738 -2.042 5.257 1.00 0.00 H new ATOM 0 HG3 MET A 111 7.333 -3.663 4.727 1.00 0.00 H new ATOM 0 HE1 MET A 111 11.422 -1.704 5.012 1.00 0.00 H new ATOM 0 HE2 MET A 111 11.036 -2.114 3.324 1.00 0.00 H new ATOM 0 HE3 MET A 111 9.945 -1.060 4.255 1.00 0.00 H new ATOM 1703 N GLY A 112 7.916 -5.606 3.127 1.00 0.00 N ATOM 1704 CA GLY A 112 8.661 -6.789 3.516 1.00 0.00 C ATOM 1705 C GLY A 112 9.641 -7.234 2.449 1.00 0.00 C ATOM 1706 O GLY A 112 10.681 -7.817 2.753 1.00 0.00 O ATOM 0 H GLY A 112 6.935 -5.606 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 112 9.202 -6.586 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.964 -7.600 3.726 1.00 0.00 H new ATOM 1710 N LYS A 113 9.307 -6.962 1.192 1.00 0.00 N ATOM 1711 CA LYS A 113 10.164 -7.338 0.073 1.00 0.00 C ATOM 1712 C LYS A 113 11.493 -6.592 0.131 1.00 0.00 C ATOM 1713 O LYS A 113 12.556 -7.185 -0.042 1.00 0.00 O ATOM 1714 CB LYS A 113 9.461 -7.047 -1.255 1.00 0.00 C ATOM 1715 CG LYS A 113 9.874 -7.982 -2.379 1.00 0.00 C ATOM 1716 CD LYS A 113 11.217 -7.586 -2.968 1.00 0.00 C ATOM 1717 CE LYS A 113 11.317 -7.971 -4.436 1.00 0.00 C ATOM 1718 NZ LYS A 113 12.639 -7.609 -5.016 1.00 0.00 N ATOM 0 H LYS A 113 8.448 -6.482 0.922 1.00 0.00 H new ATOM 0 HA LYS A 113 10.364 -8.407 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 113 8.383 -7.121 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 113 9.673 -6.020 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.928 -9.004 -2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.115 -7.970 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.359 -6.510 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.018 -8.070 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.156 -9.044 -4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.526 -7.473 -4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.667 -7.888 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 12.783 -6.582 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 13.393 -8.104 -4.498 1.00 0.00 H new ATOM 1732 N GLY A 114 11.424 -5.287 0.377 1.00 0.00 N ATOM 1733 CA GLY A 114 12.629 -4.482 0.455 1.00 0.00 C ATOM 1734 C GLY A 114 13.474 -4.818 1.668 1.00 0.00 C ATOM 1735 O GLY A 114 14.625 -5.233 1.534 1.00 0.00 O ATOM 0 H GLY A 114 10.555 -4.773 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.221 -4.631 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.356 -3.427 0.487 1.00 0.00 H new ATOM 1739 N MET A 115 12.902 -4.639 2.854 1.00 0.00 N ATOM 1740 CA MET A 115 13.612 -4.926 4.095 1.00 0.00 C ATOM 1741 C MET A 115 12.825 -5.910 4.955 1.00 0.00 C ATOM 1742 O MET A 115 11.607 -6.027 4.827 1.00 0.00 O ATOM 1743 CB MET A 115 13.860 -3.634 4.876 1.00 0.00 C ATOM 1744 CG MET A 115 15.075 -3.698 5.787 1.00 0.00 C ATOM 1745 SD MET A 115 15.047 -2.435 7.074 1.00 0.00 S ATOM 1746 CE MET A 115 15.572 -3.389 8.496 1.00 0.00 C ATOM 0 H MET A 115 11.950 -4.297 2.982 1.00 0.00 H new ATOM 0 HA MET A 115 14.571 -5.378 3.840 1.00 0.00 H new ATOM 0 HB2 MET A 115 13.987 -2.812 4.171 1.00 0.00 H new ATOM 0 HB3 MET A 115 12.978 -3.407 5.475 1.00 0.00 H new ATOM 0 HG2 MET A 115 15.124 -4.683 6.251 1.00 0.00 H new ATOM 0 HG3 MET A 115 15.979 -3.582 5.189 1.00 0.00 H new ATOM 0 HE1 MET A 115 15.810 -2.715 9.319 1.00 0.00 H new ATOM 0 HE2 MET A 115 14.770 -4.062 8.799 1.00 0.00 H new ATOM 0 HE3 MET A 115 16.456 -3.971 8.237 1.00 0.00 H new ATOM 1756 N LYS A 116 13.530 -6.617 5.831 1.00 0.00 N ATOM 1757 CA LYS A 116 12.899 -7.591 6.714 1.00 0.00 C ATOM 1758 C LYS A 116 13.307 -7.356 8.165 1.00 0.00 C ATOM 1759 O LYS A 116 14.175 -6.532 8.449 1.00 0.00 O ATOM 1760 CB LYS A 116 13.278 -9.013 6.291 1.00 0.00 C ATOM 1761 CG LYS A 116 14.698 -9.400 6.666 1.00 0.00 C ATOM 1762 CD LYS A 116 15.695 -8.953 5.609 1.00 0.00 C ATOM 1763 CE LYS A 116 15.865 -10.003 4.522 1.00 0.00 C ATOM 1764 NZ LYS A 116 16.231 -11.331 5.087 1.00 0.00 N ATOM 0 H LYS A 116 14.540 -6.534 5.949 1.00 0.00 H new ATOM 0 HA LYS A 116 11.819 -7.469 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.585 -9.717 6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.158 -9.106 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.957 -8.951 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.760 -10.481 6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.358 -8.017 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 116 16.659 -8.754 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.938 -10.092 3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.637 -9.681 3.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.810 -11.853 4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 16.773 -11.198 5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.366 -11.871 5.293 1.00 0.00 H new ATOM 1778 N ARG A 117 12.672 -8.084 9.079 1.00 0.00 N ATOM 1779 CA ARG A 117 12.970 -7.954 10.499 1.00 0.00 C ATOM 1780 C ARG A 117 13.021 -9.323 11.172 1.00 0.00 C ATOM 1781 O ARG A 117 12.840 -10.352 10.522 1.00 0.00 O ATOM 1782 CB ARG A 117 11.919 -7.078 11.183 1.00 0.00 C ATOM 1783 CG ARG A 117 11.869 -5.656 10.647 1.00 0.00 C ATOM 1784 CD ARG A 117 10.585 -4.951 11.056 1.00 0.00 C ATOM 1785 NE ARG A 117 9.509 -5.171 10.093 1.00 0.00 N ATOM 1786 CZ ARG A 117 9.463 -4.592 8.898 1.00 0.00 C ATOM 1787 NH1 ARG A 117 10.429 -3.766 8.520 1.00 0.00 N ATOM 1788 NH2 ARG A 117 8.452 -4.843 8.077 1.00 0.00 N ATOM 0 H ARG A 117 11.949 -8.769 8.860 1.00 0.00 H new ATOM 0 HA ARG A 117 13.948 -7.483 10.598 1.00 0.00 H new ATOM 0 HB2 ARG A 117 10.939 -7.538 11.060 1.00 0.00 H new ATOM 0 HB3 ARG A 117 12.125 -7.047 12.253 1.00 0.00 H new ATOM 0 HG2 ARG A 117 12.727 -5.096 11.018 1.00 0.00 H new ATOM 0 HG3 ARG A 117 11.946 -5.673 9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.272 -5.308 12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.773 -3.882 11.151 1.00 0.00 H new ATOM 0 HE ARG A 117 8.752 -5.803 10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.210 -3.574 9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 117 10.391 -3.323 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.709 -5.481 8.363 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.417 -4.398 7.160 1.00 0.00 H new ATOM 1802 N VAL A 118 13.271 -9.326 12.478 1.00 0.00 N ATOM 1803 CA VAL A 118 13.345 -10.568 13.238 1.00 0.00 C ATOM 1804 C VAL A 118 12.016 -10.878 13.917 1.00 0.00 C ATOM 1805 O VAL A 118 11.376 -9.993 14.486 1.00 0.00 O ATOM 1806 CB VAL A 118 14.452 -10.505 14.308 1.00 0.00 C ATOM 1807 CG1 VAL A 118 14.127 -9.447 15.352 1.00 0.00 C ATOM 1808 CG2 VAL A 118 14.643 -11.866 14.958 1.00 0.00 C ATOM 0 H VAL A 118 13.426 -8.483 13.031 1.00 0.00 H new ATOM 0 HA VAL A 118 13.580 -11.360 12.527 1.00 0.00 H new ATOM 0 HB VAL A 118 15.387 -10.226 13.822 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.920 -9.417 16.099 1.00 0.00 H new ATOM 0 HG12 VAL A 118 14.046 -8.473 14.870 1.00 0.00 H new ATOM 0 HG13 VAL A 118 13.182 -9.692 15.836 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.429 -11.803 15.711 1.00 0.00 H new ATOM 0 HG22 VAL A 118 13.712 -12.177 15.431 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.926 -12.595 14.199 1.00 0.00 H new ATOM 1818 N SER A 119 11.605 -12.141 13.852 1.00 0.00 N ATOM 1819 CA SER A 119 10.349 -12.567 14.457 1.00 0.00 C ATOM 1820 C SER A 119 10.562 -13.790 15.345 1.00 0.00 C ATOM 1821 O SER A 119 11.361 -14.670 15.028 1.00 0.00 O ATOM 1822 CB SER A 119 9.317 -12.884 13.373 1.00 0.00 C ATOM 1823 OG SER A 119 8.153 -13.468 13.931 1.00 0.00 O ATOM 0 H SER A 119 12.123 -12.886 13.387 1.00 0.00 H new ATOM 0 HA SER A 119 9.976 -11.750 15.075 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.050 -11.970 12.842 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.752 -13.563 12.640 1.00 0.00 H new ATOM 0 HG SER A 119 7.509 -13.659 13.218 1.00 0.00 H new ATOM 1829 N GLY A 120 9.840 -13.838 16.459 1.00 0.00 N ATOM 1830 CA GLY A 120 9.963 -14.956 17.377 1.00 0.00 C ATOM 1831 C GLY A 120 8.825 -15.013 18.377 1.00 0.00 C ATOM 1832 O GLY A 120 7.876 -14.232 18.316 1.00 0.00 O ATOM 0 H GLY A 120 9.171 -13.122 16.743 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.991 -15.886 16.810 1.00 0.00 H new ATOM 0 HA3 GLY A 120 10.909 -14.880 17.912 1.00 0.00 H new ATOM 1836 N PRO A 121 8.913 -15.959 19.325 1.00 0.00 N ATOM 1837 CA PRO A 121 7.891 -16.139 20.361 1.00 0.00 C ATOM 1838 C PRO A 121 7.878 -14.993 21.367 1.00 0.00 C ATOM 1839 O PRO A 121 8.822 -14.819 22.136 1.00 0.00 O ATOM 1840 CB PRO A 121 8.304 -17.444 21.043 1.00 0.00 C ATOM 1841 CG PRO A 121 9.771 -17.550 20.804 1.00 0.00 C ATOM 1842 CD PRO A 121 10.016 -16.925 19.458 1.00 0.00 C ATOM 0 HA PRO A 121 6.885 -16.161 19.942 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.077 -17.422 22.109 1.00 0.00 H new ATOM 0 HB3 PRO A 121 7.772 -18.297 20.621 1.00 0.00 H new ATOM 0 HG2 PRO A 121 10.332 -17.033 21.583 1.00 0.00 H new ATOM 0 HG3 PRO A 121 10.094 -18.591 20.816 1.00 0.00 H new ATOM 0 HD2 PRO A 121 10.988 -16.434 19.414 1.00 0.00 H new ATOM 0 HD3 PRO A 121 9.998 -17.668 18.661 1.00 0.00 H new ATOM 1850 N SER A 122 6.800 -14.214 21.356 1.00 0.00 N ATOM 1851 CA SER A 122 6.666 -13.083 22.266 1.00 0.00 C ATOM 1852 C SER A 122 5.604 -13.361 23.325 1.00 0.00 C ATOM 1853 O SER A 122 4.409 -13.188 23.083 1.00 0.00 O ATOM 1854 CB SER A 122 6.306 -11.815 21.488 1.00 0.00 C ATOM 1855 OG SER A 122 7.351 -11.445 20.604 1.00 0.00 O ATOM 0 H SER A 122 6.008 -14.346 20.727 1.00 0.00 H new ATOM 0 HA SER A 122 7.623 -12.935 22.766 1.00 0.00 H new ATOM 0 HB2 SER A 122 5.389 -11.979 20.923 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.109 -11.000 22.185 1.00 0.00 H new ATOM 0 HG SER A 122 7.096 -10.633 20.118 1.00 0.00 H new ATOM 1861 N SER A 123 6.049 -13.794 24.501 1.00 0.00 N ATOM 1862 CA SER A 123 5.139 -14.100 25.597 1.00 0.00 C ATOM 1863 C SER A 123 5.878 -14.108 26.932 1.00 0.00 C ATOM 1864 O SER A 123 7.071 -14.400 26.991 1.00 0.00 O ATOM 1865 CB SER A 123 4.466 -15.455 25.366 1.00 0.00 C ATOM 1866 OG SER A 123 3.683 -15.441 24.185 1.00 0.00 O ATOM 0 H SER A 123 7.035 -13.941 24.718 1.00 0.00 H new ATOM 0 HA SER A 123 4.375 -13.323 25.629 1.00 0.00 H new ATOM 0 HB2 SER A 123 5.225 -16.234 25.294 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.836 -15.702 26.221 1.00 0.00 H new ATOM 0 HG SER A 123 3.565 -14.517 23.882 1.00 0.00 H new ATOM 1872 N GLY A 124 5.158 -13.783 28.002 1.00 0.00 N ATOM 1873 CA GLY A 124 5.762 -13.758 29.321 1.00 0.00 C ATOM 1874 C GLY A 124 6.070 -15.147 29.844 1.00 0.00 C ATOM 1875 O GLY A 124 5.773 -15.464 30.996 1.00 0.00 O ATOM 0 H GLY A 124 4.168 -13.537 27.979 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.682 -13.174 29.285 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.091 -13.252 30.015 1.00 0.00 H new TER 1879 GLY A 124