USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 934 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 97 HIS : no HD1:sc= -0.387 K(o=-1.4,f=-2.7!) USER MOD Set 1.2: A 99 SER OG : rot -83:sc= -0.971 USER MOD Set 2.1: A 50 ASN :FLIP amide:sc= 0.0741 F(o=-1.8,f=-0.96) USER MOD Set 2.2: A 86 ASN : amide:sc= -1.04 K(o=-0.96,f=-1.6) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -161:sc= 0.586 (180deg=0.00738) USER MOD Set 3.2: A 119 SER OG : rot -130:sc= 0.524 USER MOD Set 4.1: A 29 TYR OH : rot 126:sc= 0.905 USER MOD Set 4.2: A 105 GLN : amide:sc= 0.319 K(o=1.2,f=0.61) USER MOD Set 5.1: A 6 SER OG : rot -44:sc= 1.23 USER MOD Set 5.2: A 33 GLN : amide:sc= 1.72 K(o=2.9,f=-7!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.133 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00835 USER MOD Single : A 5 SER OG : rot -48:sc= 0.131 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= 1.2 (180deg=1.18) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 176:sc= -0.0293 (180deg=-0.107) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.567 K(o=0.57,f=-3.4!) USER MOD Single : A 53 MET CE :methyl -165:sc= -0.0298 (180deg=-0.28) USER MOD Single : A 57 THR OG1 : rot 75:sc= 1.33 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.267 K(o=0.27,f=-5.2!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -139:sc= 1.19 (180deg=0.175) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0.0555 X(o=0.056,f=-0.19) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -4:sc= 0.668 USER MOD Single : A 122 SER OG : rot 80:sc= 1.18 USER MOD Single : A 123 SER OG : rot -19:sc= 0.156 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.111 2.985 -20.254 1.00 0.00 N ATOM 2 CA GLY A 1 14.462 4.281 -20.006 1.00 0.00 C ATOM 3 C GLY A 1 14.402 4.576 -18.515 1.00 0.00 C ATOM 4 O GLY A 1 14.956 3.828 -17.715 1.00 0.00 O ATOM 0 H1 GLY A 1 15.938 3.123 -20.869 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.417 2.571 -19.350 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.438 2.343 -20.719 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.011 5.072 -20.516 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.454 4.274 -20.421 1.00 0.00 H new ATOM 8 N SER A 2 13.734 5.661 -18.115 1.00 0.00 N ATOM 9 CA SER A 2 13.526 6.028 -16.712 1.00 0.00 C ATOM 10 C SER A 2 12.126 6.596 -16.420 1.00 0.00 C ATOM 11 O SER A 2 11.755 6.655 -15.250 1.00 0.00 O ATOM 12 CB SER A 2 14.605 7.027 -16.277 1.00 0.00 C ATOM 13 OG SER A 2 15.883 6.417 -16.212 1.00 0.00 O ATOM 0 H SER A 2 13.315 6.321 -18.770 1.00 0.00 H new ATOM 0 HA SER A 2 13.603 5.108 -16.133 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.634 7.861 -16.978 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.348 7.440 -15.302 1.00 0.00 H new ATOM 0 HG SER A 2 16.548 7.080 -15.934 1.00 0.00 H new ATOM 19 N SER A 3 11.328 6.961 -17.432 1.00 0.00 N ATOM 20 CA SER A 3 9.972 7.487 -17.263 1.00 0.00 C ATOM 21 C SER A 3 9.938 8.610 -16.200 1.00 0.00 C ATOM 22 O SER A 3 10.742 9.547 -16.293 1.00 0.00 O ATOM 23 CB SER A 3 9.018 6.299 -17.017 1.00 0.00 C ATOM 24 OG SER A 3 7.669 6.682 -17.192 1.00 0.00 O ATOM 0 H SER A 3 11.615 6.897 -18.409 1.00 0.00 H new ATOM 0 HA SER A 3 9.619 7.985 -18.166 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.260 5.487 -17.703 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.162 5.917 -16.006 1.00 0.00 H new ATOM 0 HG SER A 3 7.086 5.910 -17.032 1.00 0.00 H new ATOM 30 N GLY A 4 9.025 8.539 -15.227 1.00 0.00 N ATOM 31 CA GLY A 4 8.965 9.395 -14.052 1.00 0.00 C ATOM 32 C GLY A 4 8.757 10.873 -14.385 1.00 0.00 C ATOM 33 O GLY A 4 8.110 11.212 -15.385 1.00 0.00 O ATOM 0 H GLY A 4 8.275 7.848 -15.244 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.153 9.058 -13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.889 9.285 -13.484 1.00 0.00 H new ATOM 37 N SER A 5 9.265 11.757 -13.519 1.00 0.00 N ATOM 38 CA SER A 5 9.379 13.208 -13.656 1.00 0.00 C ATOM 39 C SER A 5 8.211 13.969 -13.003 1.00 0.00 C ATOM 40 O SER A 5 7.998 15.140 -13.332 1.00 0.00 O ATOM 41 CB SER A 5 9.644 13.628 -15.116 1.00 0.00 C ATOM 42 OG SER A 5 10.246 14.911 -15.178 1.00 0.00 O ATOM 0 H SER A 5 9.640 11.443 -12.624 1.00 0.00 H new ATOM 0 HA SER A 5 10.260 13.507 -13.088 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.292 12.895 -15.596 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.706 13.636 -15.671 1.00 0.00 H new ATOM 0 HG SER A 5 9.748 15.534 -14.608 1.00 0.00 H new ATOM 48 N SER A 6 7.473 13.379 -12.062 1.00 0.00 N ATOM 49 CA SER A 6 6.420 14.045 -11.300 1.00 0.00 C ATOM 50 C SER A 6 6.645 13.860 -9.791 1.00 0.00 C ATOM 51 O SER A 6 5.978 13.055 -9.132 1.00 0.00 O ATOM 52 CB SER A 6 5.039 13.632 -11.834 1.00 0.00 C ATOM 53 OG SER A 6 4.784 12.243 -11.780 1.00 0.00 O ATOM 0 H SER A 6 7.595 12.400 -11.803 1.00 0.00 H new ATOM 0 HA SER A 6 6.460 15.125 -11.444 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.271 14.153 -11.262 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.948 13.966 -12.868 1.00 0.00 H new ATOM 0 HG SER A 6 5.572 11.753 -12.095 1.00 0.00 H new ATOM 59 N GLY A 7 7.598 14.613 -9.233 1.00 0.00 N ATOM 60 CA GLY A 7 7.855 14.652 -7.796 1.00 0.00 C ATOM 61 C GLY A 7 6.741 15.399 -7.054 1.00 0.00 C ATOM 62 O GLY A 7 5.842 15.981 -7.676 1.00 0.00 O ATOM 0 H GLY A 7 8.217 15.217 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.934 13.636 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.811 15.140 -7.608 1.00 0.00 H new ATOM 66 N THR A 8 6.805 15.424 -5.724 1.00 0.00 N ATOM 67 CA THR A 8 5.850 16.117 -4.868 1.00 0.00 C ATOM 68 C THR A 8 6.471 17.420 -4.339 1.00 0.00 C ATOM 69 O THR A 8 7.697 17.593 -4.290 1.00 0.00 O ATOM 70 CB THR A 8 5.400 15.191 -3.713 1.00 0.00 C ATOM 71 OG1 THR A 8 5.315 13.828 -4.102 1.00 0.00 O ATOM 72 CG2 THR A 8 4.026 15.584 -3.159 1.00 0.00 C ATOM 0 H THR A 8 7.542 14.950 -5.201 1.00 0.00 H new ATOM 0 HA THR A 8 4.965 16.378 -5.448 1.00 0.00 H new ATOM 0 HB THR A 8 6.170 15.312 -2.951 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.029 13.287 -3.337 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.752 14.906 -2.351 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.065 16.605 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.282 15.521 -3.953 1.00 0.00 H new ATOM 80 N VAL A 9 5.619 18.339 -3.893 1.00 0.00 N ATOM 81 CA VAL A 9 5.953 19.501 -3.088 1.00 0.00 C ATOM 82 C VAL A 9 4.845 19.629 -2.042 1.00 0.00 C ATOM 83 O VAL A 9 3.820 20.276 -2.264 1.00 0.00 O ATOM 84 CB VAL A 9 6.216 20.723 -3.991 1.00 0.00 C ATOM 85 CG1 VAL A 9 5.121 21.005 -5.027 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.535 21.981 -3.180 1.00 0.00 C ATOM 0 H VAL A 9 4.621 18.286 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 9 6.892 19.410 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 9 7.099 20.444 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.393 21.882 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.014 20.144 -5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.176 21.190 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.713 22.816 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.694 22.216 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.426 21.808 -2.576 1.00 0.00 H new ATOM 96 N ALA A 10 4.989 18.894 -0.938 1.00 0.00 N ATOM 97 CA ALA A 10 4.002 18.832 0.123 1.00 0.00 C ATOM 98 C ALA A 10 4.655 18.335 1.415 1.00 0.00 C ATOM 99 O ALA A 10 5.651 17.613 1.365 1.00 0.00 O ATOM 100 CB ALA A 10 2.900 17.861 -0.292 1.00 0.00 C ATOM 0 H ALA A 10 5.812 18.318 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 10 3.586 19.825 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.150 17.804 0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.433 18.212 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.329 16.873 -0.457 1.00 0.00 H new ATOM 106 N SER A 11 4.050 18.682 2.550 1.00 0.00 N ATOM 107 CA SER A 11 4.310 18.171 3.889 1.00 0.00 C ATOM 108 C SER A 11 3.213 18.783 4.752 1.00 0.00 C ATOM 109 O SER A 11 3.176 20.006 4.893 1.00 0.00 O ATOM 110 CB SER A 11 5.705 18.586 4.397 1.00 0.00 C ATOM 111 OG SER A 11 5.894 18.281 5.774 1.00 0.00 O ATOM 0 H SER A 11 3.308 19.382 2.554 1.00 0.00 H new ATOM 0 HA SER A 11 4.303 17.081 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.469 18.079 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.841 19.656 4.243 1.00 0.00 H new ATOM 0 HG SER A 11 6.792 18.560 6.051 1.00 0.00 H new ATOM 117 N ARG A 12 2.324 17.954 5.302 1.00 0.00 N ATOM 118 CA ARG A 12 1.307 18.324 6.288 1.00 0.00 C ATOM 119 C ARG A 12 1.179 17.205 7.320 1.00 0.00 C ATOM 120 O ARG A 12 1.814 16.154 7.168 1.00 0.00 O ATOM 121 CB ARG A 12 -0.028 18.594 5.572 1.00 0.00 C ATOM 122 CG ARG A 12 -0.179 20.068 5.181 1.00 0.00 C ATOM 123 CD ARG A 12 -1.288 20.206 4.152 1.00 0.00 C ATOM 124 NE ARG A 12 -1.498 21.589 3.709 1.00 0.00 N ATOM 125 CZ ARG A 12 -2.461 21.926 2.843 1.00 0.00 C ATOM 126 NH1 ARG A 12 -3.246 21.004 2.295 1.00 0.00 N ATOM 127 NH2 ARG A 12 -2.660 23.192 2.513 1.00 0.00 N ATOM 0 H ARG A 12 2.292 16.963 5.062 1.00 0.00 H new ATOM 0 HA ARG A 12 1.596 19.236 6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.093 17.973 4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.854 18.304 6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.409 20.668 6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.759 20.446 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.051 19.586 3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.216 19.822 4.575 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.888 22.320 4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.120 20.020 2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.975 21.280 1.637 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.076 23.923 2.920 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.397 23.437 1.852 1.00 0.00 H new ATOM 141 N LEU A 13 0.402 17.447 8.379 1.00 0.00 N ATOM 142 CA LEU A 13 0.118 16.523 9.471 1.00 0.00 C ATOM 143 C LEU A 13 -1.395 16.455 9.658 1.00 0.00 C ATOM 144 O LEU A 13 -2.017 15.476 9.245 1.00 0.00 O ATOM 145 CB LEU A 13 0.852 16.956 10.760 1.00 0.00 C ATOM 146 CG LEU A 13 0.549 16.034 11.969 1.00 0.00 C ATOM 147 CD1 LEU A 13 1.799 15.265 12.399 1.00 0.00 C ATOM 148 CD2 LEU A 13 0.028 16.804 13.183 1.00 0.00 C ATOM 0 H LEU A 13 -0.070 18.343 8.501 1.00 0.00 H new ATOM 0 HA LEU A 13 0.487 15.526 9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.926 16.962 10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.566 17.978 11.009 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.226 15.347 11.628 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.559 14.626 13.249 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.151 14.650 11.571 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.580 15.970 12.685 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.167 16.108 13.999 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.774 17.533 13.499 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.895 17.320 12.918 1.00 0.00 H new ATOM 160 N SER A 14 -1.985 17.491 10.263 1.00 0.00 N ATOM 161 CA SER A 14 -3.361 17.565 10.744 1.00 0.00 C ATOM 162 C SER A 14 -3.546 16.701 12.004 1.00 0.00 C ATOM 163 O SER A 14 -3.961 17.224 13.043 1.00 0.00 O ATOM 164 CB SER A 14 -4.358 17.258 9.616 1.00 0.00 C ATOM 165 OG SER A 14 -5.676 17.651 9.928 1.00 0.00 O ATOM 0 H SER A 14 -1.476 18.357 10.440 1.00 0.00 H new ATOM 0 HA SER A 14 -3.580 18.587 11.052 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.038 17.766 8.706 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.343 16.189 9.405 1.00 0.00 H new ATOM 0 HG SER A 14 -6.268 17.435 9.178 1.00 0.00 H new ATOM 171 N ASP A 15 -3.208 15.412 11.960 1.00 0.00 N ATOM 172 CA ASP A 15 -3.318 14.480 13.084 1.00 0.00 C ATOM 173 C ASP A 15 -2.240 13.405 12.963 1.00 0.00 C ATOM 174 O ASP A 15 -1.770 13.133 11.863 1.00 0.00 O ATOM 175 CB ASP A 15 -4.714 13.846 13.084 1.00 0.00 C ATOM 176 CG ASP A 15 -4.751 12.514 13.835 1.00 0.00 C ATOM 177 OD1 ASP A 15 -4.609 12.520 15.078 1.00 0.00 O ATOM 178 OD2 ASP A 15 -4.840 11.463 13.159 1.00 0.00 O ATOM 0 H ASP A 15 -2.839 14.974 11.116 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.174 15.014 14.024 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.423 14.537 13.540 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.038 13.689 12.055 1.00 0.00 H new ATOM 183 N THR A 16 -1.863 12.781 14.077 1.00 0.00 N ATOM 184 CA THR A 16 -0.863 11.734 14.171 1.00 0.00 C ATOM 185 C THR A 16 -1.159 10.558 13.236 1.00 0.00 C ATOM 186 O THR A 16 -0.288 10.187 12.444 1.00 0.00 O ATOM 187 CB THR A 16 -0.750 11.238 15.629 1.00 0.00 C ATOM 188 OG1 THR A 16 -0.922 12.284 16.569 1.00 0.00 O ATOM 189 CG2 THR A 16 0.623 10.611 15.838 1.00 0.00 C ATOM 0 H THR A 16 -2.272 13.009 14.983 1.00 0.00 H new ATOM 0 HA THR A 16 0.087 12.165 13.856 1.00 0.00 H new ATOM 0 HB THR A 16 -1.544 10.509 15.790 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.844 11.924 17.477 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.709 10.259 16.866 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.747 9.771 15.155 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.396 11.354 15.643 1.00 0.00 H new ATOM 197 N LYS A 17 -2.341 9.938 13.337 1.00 0.00 N ATOM 198 CA LYS A 17 -2.653 8.732 12.573 1.00 0.00 C ATOM 199 C LYS A 17 -2.724 9.102 11.097 1.00 0.00 C ATOM 200 O LYS A 17 -2.036 8.504 10.268 1.00 0.00 O ATOM 201 CB LYS A 17 -3.949 8.090 13.106 1.00 0.00 C ATOM 202 CG LYS A 17 -4.097 6.639 12.612 1.00 0.00 C ATOM 203 CD LYS A 17 -4.975 5.752 13.511 1.00 0.00 C ATOM 204 CE LYS A 17 -6.465 5.976 13.251 1.00 0.00 C ATOM 205 NZ LYS A 17 -7.325 5.114 14.093 1.00 0.00 N ATOM 0 H LYS A 17 -3.097 10.256 13.943 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.874 7.979 12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.945 8.107 14.196 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.808 8.677 12.782 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.521 6.651 11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.106 6.191 12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.730 4.704 13.338 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.753 5.963 14.557 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.710 7.021 13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.680 5.782 12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.324 5.305 13.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.113 4.115 13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.142 5.316 15.097 1.00 0.00 H new ATOM 219 N ALA A 18 -3.461 10.174 10.792 1.00 0.00 N ATOM 220 CA ALA A 18 -3.551 10.728 9.451 1.00 0.00 C ATOM 221 C ALA A 18 -2.162 10.975 8.853 1.00 0.00 C ATOM 222 O ALA A 18 -1.941 10.621 7.696 1.00 0.00 O ATOM 223 CB ALA A 18 -4.372 12.018 9.480 1.00 0.00 C ATOM 0 H ALA A 18 -4.015 10.682 11.481 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.053 10.003 8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.437 12.430 8.473 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.375 11.803 9.850 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.890 12.741 10.138 1.00 0.00 H new ATOM 229 N ALA A 19 -1.234 11.555 9.622 1.00 0.00 N ATOM 230 CA ALA A 19 0.134 11.841 9.213 1.00 0.00 C ATOM 231 C ALA A 19 0.958 10.583 8.988 1.00 0.00 C ATOM 232 O ALA A 19 1.771 10.578 8.068 1.00 0.00 O ATOM 233 CB ALA A 19 0.836 12.715 10.247 1.00 0.00 C ATOM 0 H ALA A 19 -1.428 11.846 10.580 1.00 0.00 H new ATOM 0 HA ALA A 19 0.060 12.369 8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.856 12.916 9.921 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.297 13.656 10.354 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.857 12.198 11.206 1.00 0.00 H new ATOM 239 N GLY A 20 0.775 9.536 9.792 1.00 0.00 N ATOM 240 CA GLY A 20 1.472 8.272 9.593 1.00 0.00 C ATOM 241 C GLY A 20 1.066 7.654 8.256 1.00 0.00 C ATOM 242 O GLY A 20 1.911 7.149 7.514 1.00 0.00 O ATOM 0 H GLY A 20 0.144 9.542 10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.550 8.434 9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.236 7.586 10.406 1.00 0.00 H new ATOM 246 N GLU A 21 -0.222 7.749 7.928 1.00 0.00 N ATOM 247 CA GLU A 21 -0.776 7.320 6.652 1.00 0.00 C ATOM 248 C GLU A 21 -0.252 8.207 5.517 1.00 0.00 C ATOM 249 O GLU A 21 0.197 7.686 4.498 1.00 0.00 O ATOM 250 CB GLU A 21 -2.306 7.348 6.730 1.00 0.00 C ATOM 251 CG GLU A 21 -2.942 6.057 7.252 1.00 0.00 C ATOM 252 CD GLU A 21 -2.486 5.598 8.636 1.00 0.00 C ATOM 253 OE1 GLU A 21 -1.360 5.060 8.777 1.00 0.00 O ATOM 254 OE2 GLU A 21 -3.311 5.625 9.568 1.00 0.00 O ATOM 0 H GLU A 21 -0.923 8.136 8.560 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.460 6.299 6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.609 8.173 7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.703 7.557 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.024 6.191 7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.734 5.259 6.539 1.00 0.00 H new ATOM 261 N VAL A 22 -0.239 9.533 5.701 1.00 0.00 N ATOM 262 CA VAL A 22 0.362 10.477 4.757 1.00 0.00 C ATOM 263 C VAL A 22 1.814 10.088 4.504 1.00 0.00 C ATOM 264 O VAL A 22 2.248 10.141 3.360 1.00 0.00 O ATOM 265 CB VAL A 22 0.261 11.927 5.286 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.162 12.926 4.552 1.00 0.00 C ATOM 267 CG2 VAL A 22 -1.157 12.479 5.204 1.00 0.00 C ATOM 0 H VAL A 22 -0.650 9.983 6.519 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.185 10.434 3.815 1.00 0.00 H new ATOM 0 HB VAL A 22 0.589 11.836 6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.032 13.919 4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.203 12.620 4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.893 12.951 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.173 13.499 5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.489 12.476 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.825 11.857 5.800 1.00 0.00 H new ATOM 277 N LYS A 23 2.569 9.706 5.539 1.00 0.00 N ATOM 278 CA LYS A 23 3.964 9.322 5.396 1.00 0.00 C ATOM 279 C LYS A 23 4.049 8.144 4.444 1.00 0.00 C ATOM 280 O LYS A 23 4.804 8.205 3.484 1.00 0.00 O ATOM 281 CB LYS A 23 4.586 9.015 6.771 1.00 0.00 C ATOM 282 CG LYS A 23 6.072 9.392 6.827 1.00 0.00 C ATOM 283 CD LYS A 23 7.070 8.504 6.064 1.00 0.00 C ATOM 284 CE LYS A 23 7.266 7.123 6.703 1.00 0.00 C ATOM 285 NZ LYS A 23 8.499 6.468 6.211 1.00 0.00 N ATOM 0 H LYS A 23 2.223 9.657 6.497 1.00 0.00 H new ATOM 0 HA LYS A 23 4.542 10.145 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.044 9.560 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.473 7.953 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.173 10.409 6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.373 9.410 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.722 8.376 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.033 9.013 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.315 7.226 7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.405 6.493 6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.721 5.649 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.356 6.150 5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.288 7.145 6.243 1.00 0.00 H new ATOM 299 N ALA A 24 3.262 7.099 4.686 1.00 0.00 N ATOM 300 CA ALA A 24 3.226 5.940 3.819 1.00 0.00 C ATOM 301 C ALA A 24 2.848 6.318 2.380 1.00 0.00 C ATOM 302 O ALA A 24 3.462 5.794 1.458 1.00 0.00 O ATOM 303 CB ALA A 24 2.289 4.893 4.413 1.00 0.00 C ATOM 0 H ALA A 24 2.635 7.038 5.488 1.00 0.00 H new ATOM 0 HA ALA A 24 4.225 5.509 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.260 4.019 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.650 4.599 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.287 5.311 4.503 1.00 0.00 H new ATOM 309 N LEU A 25 1.893 7.232 2.162 1.00 0.00 N ATOM 310 CA LEU A 25 1.561 7.701 0.812 1.00 0.00 C ATOM 311 C LEU A 25 2.759 8.410 0.169 1.00 0.00 C ATOM 312 O LEU A 25 3.087 8.128 -0.979 1.00 0.00 O ATOM 313 CB LEU A 25 0.368 8.667 0.846 1.00 0.00 C ATOM 314 CG LEU A 25 -0.111 9.058 -0.566 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.208 8.133 -1.102 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.577 10.510 -0.505 1.00 0.00 C ATOM 0 H LEU A 25 1.338 7.660 2.903 1.00 0.00 H new ATOM 0 HA LEU A 25 1.299 6.825 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.455 8.205 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.648 9.567 1.394 1.00 0.00 H new ATOM 0 HG LEU A 25 0.714 8.949 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.504 8.459 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.831 7.112 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.071 8.169 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.924 10.822 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.392 10.601 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.252 11.146 -0.194 1.00 0.00 H new ATOM 328 N ASP A 26 3.385 9.334 0.900 1.00 0.00 N ATOM 329 CA ASP A 26 4.518 10.148 0.455 1.00 0.00 C ATOM 330 C ASP A 26 5.622 9.238 -0.049 1.00 0.00 C ATOM 331 O ASP A 26 6.083 9.350 -1.182 1.00 0.00 O ATOM 332 CB ASP A 26 5.047 10.964 1.652 1.00 0.00 C ATOM 333 CG ASP A 26 5.879 12.186 1.284 1.00 0.00 C ATOM 334 OD1 ASP A 26 7.016 12.044 0.795 1.00 0.00 O ATOM 335 OD2 ASP A 26 5.409 13.317 1.585 1.00 0.00 O ATOM 0 H ASP A 26 3.105 9.544 1.858 1.00 0.00 H new ATOM 0 HA ASP A 26 4.200 10.818 -0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.198 11.289 2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.650 10.309 2.280 1.00 0.00 H new ATOM 340 N ASP A 27 5.982 8.298 0.824 1.00 0.00 N ATOM 341 CA ASP A 27 7.112 7.402 0.700 1.00 0.00 C ATOM 342 C ASP A 27 6.875 6.452 -0.484 1.00 0.00 C ATOM 343 O ASP A 27 7.793 6.142 -1.250 1.00 0.00 O ATOM 344 CB ASP A 27 7.234 6.626 2.034 1.00 0.00 C ATOM 345 CG ASP A 27 8.594 6.035 2.401 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.551 6.015 1.595 1.00 0.00 O ATOM 347 OD2 ASP A 27 8.726 5.598 3.572 1.00 0.00 O ATOM 0 H ASP A 27 5.457 8.139 1.684 1.00 0.00 H new ATOM 0 HA ASP A 27 8.038 7.944 0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.934 7.297 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.511 5.811 2.013 1.00 0.00 H new ATOM 352 N PHE A 28 5.611 6.032 -0.646 1.00 0.00 N ATOM 353 CA PHE A 28 5.108 5.219 -1.741 1.00 0.00 C ATOM 354 C PHE A 28 5.196 5.969 -3.073 1.00 0.00 C ATOM 355 O PHE A 28 5.784 5.448 -4.019 1.00 0.00 O ATOM 356 CB PHE A 28 3.663 4.786 -1.448 1.00 0.00 C ATOM 357 CG PHE A 28 3.007 4.072 -2.606 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.324 4.817 -3.584 1.00 0.00 C ATOM 359 CD2 PHE A 28 3.152 2.682 -2.751 1.00 0.00 C ATOM 360 CE1 PHE A 28 1.851 4.180 -4.738 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.653 2.046 -3.898 1.00 0.00 C ATOM 362 CZ PHE A 28 2.018 2.797 -4.901 1.00 0.00 C ATOM 0 H PHE A 28 4.880 6.269 0.025 1.00 0.00 H new ATOM 0 HA PHE A 28 5.731 4.329 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.657 4.132 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.073 5.665 -1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.165 5.876 -3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.646 2.105 -1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.356 4.756 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.757 0.977 -4.010 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.659 2.310 -5.796 1.00 0.00 H new ATOM 372 N TYR A 29 4.598 7.162 -3.186 1.00 0.00 N ATOM 373 CA TYR A 29 4.600 7.928 -4.435 1.00 0.00 C ATOM 374 C TYR A 29 6.005 8.225 -4.924 1.00 0.00 C ATOM 375 O TYR A 29 6.270 8.200 -6.124 1.00 0.00 O ATOM 376 CB TYR A 29 3.896 9.267 -4.240 1.00 0.00 C ATOM 377 CG TYR A 29 2.445 9.231 -4.615 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.058 8.677 -5.846 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.498 9.821 -3.772 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.724 8.745 -6.253 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.156 9.899 -4.180 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.243 9.371 -5.434 1.00 0.00 C ATOM 383 OH TYR A 29 -1.530 9.470 -5.879 1.00 0.00 O ATOM 0 H TYR A 29 4.103 7.619 -2.420 1.00 0.00 H new ATOM 0 HA TYR A 29 4.082 7.312 -5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.988 9.570 -3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.401 10.026 -4.838 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.792 8.199 -6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.797 10.215 -2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.429 8.317 -7.200 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.575 10.363 -3.535 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.138 9.092 -5.209 1.00 0.00 H new ATOM 393 N LYS A 30 6.899 8.498 -3.982 1.00 0.00 N ATOM 394 CA LYS A 30 8.315 8.654 -4.239 1.00 0.00 C ATOM 395 C LYS A 30 8.821 7.477 -5.086 1.00 0.00 C ATOM 396 O LYS A 30 9.316 7.695 -6.195 1.00 0.00 O ATOM 397 CB LYS A 30 9.021 8.817 -2.885 1.00 0.00 C ATOM 398 CG LYS A 30 10.075 9.920 -2.945 1.00 0.00 C ATOM 399 CD LYS A 30 10.730 10.192 -1.589 1.00 0.00 C ATOM 400 CE LYS A 30 11.345 8.912 -1.019 1.00 0.00 C ATOM 401 NZ LYS A 30 12.220 9.192 0.128 1.00 0.00 N ATOM 0 H LYS A 30 6.650 8.618 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 30 8.534 9.545 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.287 9.053 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.491 7.876 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.844 9.642 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.613 10.837 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.501 10.954 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.989 10.586 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.550 8.232 -0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.916 8.405 -1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.618 8.301 0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.993 9.821 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.669 9.653 0.880 1.00 0.00 H new ATOM 415 N MET A 31 8.613 6.235 -4.636 1.00 0.00 N ATOM 416 CA MET A 31 8.972 5.045 -5.398 1.00 0.00 C ATOM 417 C MET A 31 8.173 4.937 -6.689 1.00 0.00 C ATOM 418 O MET A 31 8.709 4.451 -7.675 1.00 0.00 O ATOM 419 CB MET A 31 8.655 3.794 -4.594 1.00 0.00 C ATOM 420 CG MET A 31 9.360 3.697 -3.261 1.00 0.00 C ATOM 421 SD MET A 31 11.015 2.981 -3.321 1.00 0.00 S ATOM 422 CE MET A 31 10.677 1.720 -2.085 1.00 0.00 C ATOM 0 H MET A 31 8.190 6.031 -3.731 1.00 0.00 H new ATOM 0 HA MET A 31 10.036 5.129 -5.619 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.579 3.753 -4.423 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.917 2.920 -5.191 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.429 4.696 -2.830 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.747 3.100 -2.586 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.547 1.072 -1.979 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.461 2.196 -1.129 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.818 1.126 -2.397 1.00 0.00 H new ATOM 432 N LEU A 32 6.905 5.358 -6.707 1.00 0.00 N ATOM 433 CA LEU A 32 6.047 5.293 -7.887 1.00 0.00 C ATOM 434 C LEU A 32 6.634 6.084 -9.065 1.00 0.00 C ATOM 435 O LEU A 32 6.207 5.917 -10.209 1.00 0.00 O ATOM 436 CB LEU A 32 4.645 5.809 -7.529 1.00 0.00 C ATOM 437 CG LEU A 32 3.564 5.337 -8.515 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.159 3.899 -8.220 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.319 6.206 -8.384 1.00 0.00 C ATOM 0 H LEU A 32 6.443 5.758 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 32 5.981 4.253 -8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.385 5.473 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.659 6.899 -7.507 1.00 0.00 H new ATOM 0 HG LEU A 32 3.979 5.410 -9.520 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.393 3.584 -8.929 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.029 3.249 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.764 3.833 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.560 5.863 -9.087 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.931 6.135 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.574 7.243 -8.603 1.00 0.00 H new ATOM 451 N GLN A 33 7.583 6.982 -8.797 1.00 0.00 N ATOM 452 CA GLN A 33 8.461 7.565 -9.792 1.00 0.00 C ATOM 453 C GLN A 33 9.796 6.819 -9.836 1.00 0.00 C ATOM 454 O GLN A 33 10.195 6.342 -10.901 1.00 0.00 O ATOM 455 CB GLN A 33 8.626 9.066 -9.501 1.00 0.00 C ATOM 456 CG GLN A 33 7.293 9.832 -9.577 1.00 0.00 C ATOM 457 CD GLN A 33 6.698 9.785 -10.985 1.00 0.00 C ATOM 458 OE1 GLN A 33 6.949 10.663 -11.807 1.00 0.00 O ATOM 459 NE2 GLN A 33 5.912 8.777 -11.325 1.00 0.00 N ATOM 0 H GLN A 33 7.761 7.328 -7.854 1.00 0.00 H new ATOM 0 HA GLN A 33 8.022 7.464 -10.785 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.059 9.195 -8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.329 9.496 -10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.585 9.403 -8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.451 10.869 -9.282 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.700 8.045 -10.647 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.518 8.732 -12.265 1.00 0.00 H new ATOM 468 N HIS A 34 10.513 6.748 -8.710 1.00 0.00 N ATOM 469 CA HIS A 34 11.915 6.352 -8.709 1.00 0.00 C ATOM 470 C HIS A 34 12.129 4.876 -9.027 1.00 0.00 C ATOM 471 O HIS A 34 13.029 4.559 -9.809 1.00 0.00 O ATOM 472 CB HIS A 34 12.575 6.719 -7.379 1.00 0.00 C ATOM 473 CG HIS A 34 12.763 8.207 -7.234 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.494 9.012 -8.079 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.170 9.014 -6.304 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.346 10.276 -7.667 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.544 10.333 -6.589 1.00 0.00 N ATOM 0 H HIS A 34 10.138 6.962 -7.786 1.00 0.00 H new ATOM 0 HA HIS A 34 12.392 6.909 -9.515 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.963 6.349 -6.556 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.542 6.222 -7.305 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.529 8.693 -5.496 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.807 11.133 -8.136 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.264 11.171 -6.080 1.00 0.00 H new ATOM 485 N GLU A 35 11.351 3.967 -8.446 1.00 0.00 N ATOM 486 CA GLU A 35 11.432 2.542 -8.732 1.00 0.00 C ATOM 487 C GLU A 35 10.070 1.878 -8.492 1.00 0.00 C ATOM 488 O GLU A 35 9.874 1.219 -7.469 1.00 0.00 O ATOM 489 CB GLU A 35 12.597 1.880 -7.972 1.00 0.00 C ATOM 490 CG GLU A 35 12.683 2.150 -6.459 1.00 0.00 C ATOM 491 CD GLU A 35 13.939 1.530 -5.851 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.217 0.329 -6.101 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.648 2.204 -5.068 1.00 0.00 O ATOM 0 H GLU A 35 10.639 4.204 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 35 11.665 2.397 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.531 0.802 -8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.531 2.208 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.683 3.225 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.800 1.744 -5.965 1.00 0.00 H new ATOM 500 N PRO A 36 9.106 2.017 -9.419 1.00 0.00 N ATOM 501 CA PRO A 36 7.770 1.461 -9.242 1.00 0.00 C ATOM 502 C PRO A 36 7.728 -0.073 -9.192 1.00 0.00 C ATOM 503 O PRO A 36 6.712 -0.628 -8.778 1.00 0.00 O ATOM 504 CB PRO A 36 6.908 2.044 -10.360 1.00 0.00 C ATOM 505 CG PRO A 36 7.913 2.515 -11.408 1.00 0.00 C ATOM 506 CD PRO A 36 9.144 2.880 -10.589 1.00 0.00 C ATOM 0 HA PRO A 36 7.383 1.743 -8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.229 1.296 -10.769 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.294 2.869 -9.999 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.132 1.731 -12.133 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.536 3.371 -11.968 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.057 2.722 -11.163 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.126 3.931 -10.301 1.00 0.00 H new ATOM 514 N ASP A 37 8.829 -0.782 -9.482 1.00 0.00 N ATOM 515 CA ASP A 37 8.948 -2.210 -9.140 1.00 0.00 C ATOM 516 C ASP A 37 8.804 -2.435 -7.626 1.00 0.00 C ATOM 517 O ASP A 37 8.545 -3.562 -7.204 1.00 0.00 O ATOM 518 CB ASP A 37 10.290 -2.818 -9.585 1.00 0.00 C ATOM 519 CG ASP A 37 10.396 -3.072 -11.085 1.00 0.00 C ATOM 520 OD1 ASP A 37 10.008 -4.170 -11.553 1.00 0.00 O ATOM 521 OD2 ASP A 37 10.930 -2.197 -11.804 1.00 0.00 O ATOM 0 H ASP A 37 9.647 -0.393 -9.951 1.00 0.00 H new ATOM 0 HA ASP A 37 8.140 -2.706 -9.677 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.096 -2.150 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.442 -3.759 -9.057 1.00 0.00 H new ATOM 526 N ARG A 38 8.962 -1.389 -6.799 1.00 0.00 N ATOM 527 CA ARG A 38 8.737 -1.412 -5.358 1.00 0.00 C ATOM 528 C ARG A 38 7.480 -0.644 -4.942 1.00 0.00 C ATOM 529 O ARG A 38 7.296 -0.407 -3.746 1.00 0.00 O ATOM 530 CB ARG A 38 9.988 -0.923 -4.596 1.00 0.00 C ATOM 531 CG ARG A 38 11.175 -1.874 -4.813 1.00 0.00 C ATOM 532 CD ARG A 38 12.174 -1.885 -3.653 1.00 0.00 C ATOM 533 NE ARG A 38 13.142 -0.784 -3.699 1.00 0.00 N ATOM 534 CZ ARG A 38 13.901 -0.392 -2.669 1.00 0.00 C ATOM 535 NH1 ARG A 38 13.792 -0.969 -1.475 1.00 0.00 N ATOM 536 NH2 ARG A 38 14.799 0.567 -2.827 1.00 0.00 N ATOM 0 H ARG A 38 9.261 -0.474 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 38 8.559 -2.451 -5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.254 0.079 -4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.765 -0.852 -3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.796 -2.885 -4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.696 -1.588 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.626 -1.836 -2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.714 -2.832 -3.659 1.00 0.00 H new ATOM 0 HE ARG A 38 13.244 -0.281 -4.580 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.121 -1.724 -1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.379 -0.656 -0.702 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.915 1.012 -3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.375 0.862 -2.038 1.00 0.00 H new ATOM 550 N ALA A 39 6.609 -0.240 -5.871 1.00 0.00 N ATOM 551 CA ALA A 39 5.406 0.529 -5.572 1.00 0.00 C ATOM 552 C ALA A 39 4.226 -0.087 -6.319 1.00 0.00 C ATOM 553 O ALA A 39 3.950 0.244 -7.473 1.00 0.00 O ATOM 554 CB ALA A 39 5.638 2.004 -5.924 1.00 0.00 C ATOM 0 H ALA A 39 6.725 -0.443 -6.864 1.00 0.00 H new ATOM 0 HA ALA A 39 5.172 0.494 -4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.738 2.577 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.471 2.392 -5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.870 2.093 -6.985 1.00 0.00 H new ATOM 560 N PHE A 40 3.559 -1.034 -5.667 1.00 0.00 N ATOM 561 CA PHE A 40 2.471 -1.808 -6.253 1.00 0.00 C ATOM 562 C PHE A 40 1.150 -1.136 -5.910 1.00 0.00 C ATOM 563 O PHE A 40 0.971 -0.693 -4.772 1.00 0.00 O ATOM 564 CB PHE A 40 2.498 -3.214 -5.655 1.00 0.00 C ATOM 565 CG PHE A 40 3.249 -4.224 -6.486 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.361 -3.836 -7.254 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.825 -5.563 -6.483 1.00 0.00 C ATOM 568 CE1 PHE A 40 5.015 -4.784 -8.048 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.497 -6.526 -7.255 1.00 0.00 C ATOM 570 CZ PHE A 40 4.591 -6.126 -8.042 1.00 0.00 C ATOM 0 H PHE A 40 3.763 -1.289 -4.701 1.00 0.00 H new ATOM 0 HA PHE A 40 2.582 -1.864 -7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.950 -3.167 -4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.473 -3.560 -5.522 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.708 -2.813 -7.231 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.976 -5.855 -5.883 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.848 -4.485 -8.667 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.178 -7.558 -7.244 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.110 -6.854 -8.647 1.00 0.00 H new ATOM 580 N TYR A 41 0.208 -1.091 -6.851 1.00 0.00 N ATOM 581 CA TYR A 41 -1.121 -0.545 -6.611 1.00 0.00 C ATOM 582 C TYR A 41 -2.197 -1.389 -7.293 1.00 0.00 C ATOM 583 O TYR A 41 -1.920 -2.101 -8.258 1.00 0.00 O ATOM 584 CB TYR A 41 -1.164 0.924 -7.047 1.00 0.00 C ATOM 585 CG TYR A 41 -1.454 1.130 -8.518 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.501 0.840 -9.514 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.745 1.532 -8.886 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.868 0.894 -10.873 1.00 0.00 C ATOM 589 CE2 TYR A 41 -3.105 1.635 -10.232 1.00 0.00 C ATOM 590 CZ TYR A 41 -2.187 1.259 -11.235 1.00 0.00 C ATOM 591 OH TYR A 41 -2.588 1.239 -12.533 1.00 0.00 O ATOM 0 H TYR A 41 0.348 -1.433 -7.802 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.336 -0.582 -5.543 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.925 1.442 -6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.208 1.389 -6.809 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.509 0.577 -9.236 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.470 1.765 -8.120 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.144 0.657 -11.638 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.084 2.002 -10.504 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.525 1.519 -12.590 1.00 0.00 H new ATOM 601 N GLY A 42 -3.435 -1.279 -6.811 1.00 0.00 N ATOM 602 CA GLY A 42 -4.537 -2.098 -7.288 1.00 0.00 C ATOM 603 C GLY A 42 -4.469 -3.475 -6.653 1.00 0.00 C ATOM 604 O GLY A 42 -3.417 -4.116 -6.651 1.00 0.00 O ATOM 0 H GLY A 42 -3.697 -0.618 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.487 -1.622 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.493 -2.186 -8.374 1.00 0.00 H new ATOM 608 N LEU A 43 -5.608 -3.933 -6.129 1.00 0.00 N ATOM 609 CA LEU A 43 -5.789 -5.154 -5.346 1.00 0.00 C ATOM 610 C LEU A 43 -4.985 -6.313 -5.926 1.00 0.00 C ATOM 611 O LEU A 43 -4.221 -6.937 -5.208 1.00 0.00 O ATOM 612 CB LEU A 43 -7.295 -5.475 -5.283 1.00 0.00 C ATOM 613 CG LEU A 43 -7.661 -6.812 -4.609 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.393 -6.785 -3.104 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.142 -7.131 -4.826 1.00 0.00 C ATOM 0 H LEU A 43 -6.485 -3.426 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.412 -5.000 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.798 -4.669 -4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.690 -5.480 -6.299 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.034 -7.577 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.665 -7.747 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.335 -6.592 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.988 -5.997 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.385 -8.078 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.752 -6.338 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.346 -7.205 -5.894 1.00 0.00 H new ATOM 627 N LYS A 44 -5.095 -6.561 -7.230 1.00 0.00 N ATOM 628 CA LYS A 44 -4.411 -7.583 -7.964 1.00 0.00 C ATOM 629 C LYS A 44 -2.904 -7.477 -7.756 1.00 0.00 C ATOM 630 O LYS A 44 -2.309 -8.482 -7.378 1.00 0.00 O ATOM 631 CB LYS A 44 -4.887 -7.441 -9.411 1.00 0.00 C ATOM 632 CG LYS A 44 -3.971 -8.130 -10.399 1.00 0.00 C ATOM 633 CD LYS A 44 -3.825 -9.654 -10.225 1.00 0.00 C ATOM 634 CE LYS A 44 -2.355 -9.945 -9.943 1.00 0.00 C ATOM 635 NZ LYS A 44 -1.539 -10.049 -11.171 1.00 0.00 N ATOM 0 H LYS A 44 -5.710 -6.007 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.641 -8.592 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.890 -7.857 -9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.957 -6.383 -9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.338 -7.931 -11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.982 -7.678 -10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.450 -10.008 -9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.153 -10.176 -11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.949 -9.156 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.276 -10.876 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.551 -10.247 -10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.904 -10.820 -11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.587 -9.153 -11.697 1.00 0.00 H new ATOM 649 N GLN A 45 -2.266 -6.334 -8.050 1.00 0.00 N ATOM 650 CA GLN A 45 -0.809 -6.275 -7.969 1.00 0.00 C ATOM 651 C GLN A 45 -0.411 -6.618 -6.533 1.00 0.00 C ATOM 652 O GLN A 45 0.403 -7.498 -6.284 1.00 0.00 O ATOM 653 CB GLN A 45 -0.217 -4.900 -8.330 1.00 0.00 C ATOM 654 CG GLN A 45 -0.448 -4.412 -9.767 1.00 0.00 C ATOM 655 CD GLN A 45 0.404 -3.179 -10.114 1.00 0.00 C ATOM 656 OE1 GLN A 45 1.034 -2.550 -9.263 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.462 -2.815 -11.386 1.00 0.00 N ATOM 0 H GLN A 45 -2.722 -5.468 -8.336 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.412 -6.981 -8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.633 -4.159 -7.647 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.857 -4.933 -8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.215 -5.218 -10.463 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.502 -4.170 -9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.060 -3.337 -12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.029 -2.013 -11.662 1.00 0.00 H new ATOM 666 N VAL A 46 -1.023 -5.944 -5.569 1.00 0.00 N ATOM 667 CA VAL A 46 -0.853 -6.184 -4.152 1.00 0.00 C ATOM 668 C VAL A 46 -1.022 -7.671 -3.796 1.00 0.00 C ATOM 669 O VAL A 46 -0.213 -8.186 -3.033 1.00 0.00 O ATOM 670 CB VAL A 46 -1.797 -5.257 -3.361 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.507 -5.361 -1.865 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.673 -3.772 -3.758 1.00 0.00 C ATOM 0 H VAL A 46 -1.676 -5.186 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 46 0.170 -5.941 -3.866 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.806 -5.593 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.180 -4.702 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.658 -6.389 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.475 -5.067 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.365 -3.177 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.654 -3.431 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.912 -3.657 -4.815 1.00 0.00 H new ATOM 682 N GLU A 47 -2.003 -8.387 -4.348 1.00 0.00 N ATOM 683 CA GLU A 47 -2.190 -9.821 -4.133 1.00 0.00 C ATOM 684 C GLU A 47 -0.966 -10.626 -4.626 1.00 0.00 C ATOM 685 O GLU A 47 -0.617 -11.644 -4.031 1.00 0.00 O ATOM 686 CB GLU A 47 -3.521 -10.279 -4.776 1.00 0.00 C ATOM 687 CG GLU A 47 -4.750 -9.865 -3.937 1.00 0.00 C ATOM 688 CD GLU A 47 -6.114 -10.189 -4.580 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.228 -10.249 -5.828 1.00 0.00 O ATOM 690 OE2 GLU A 47 -7.107 -10.427 -3.846 1.00 0.00 O ATOM 0 H GLU A 47 -2.702 -7.978 -4.968 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.262 -10.020 -3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.605 -9.852 -5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.512 -11.363 -4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.694 -10.361 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.699 -8.793 -3.749 1.00 0.00 H new ATOM 697 N LYS A 48 -0.236 -10.162 -5.648 1.00 0.00 N ATOM 698 CA LYS A 48 1.027 -10.759 -6.075 1.00 0.00 C ATOM 699 C LYS A 48 2.146 -10.403 -5.099 1.00 0.00 C ATOM 700 O LYS A 48 2.930 -11.269 -4.723 1.00 0.00 O ATOM 701 CB LYS A 48 1.328 -10.308 -7.516 1.00 0.00 C ATOM 702 CG LYS A 48 2.782 -10.439 -7.968 1.00 0.00 C ATOM 703 CD LYS A 48 3.298 -11.881 -7.987 1.00 0.00 C ATOM 704 CE LYS A 48 4.807 -11.984 -8.247 1.00 0.00 C ATOM 705 NZ LYS A 48 5.134 -12.439 -9.612 1.00 0.00 N ATOM 0 H LYS A 48 -0.512 -9.353 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 48 0.953 -11.846 -6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.703 -10.888 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.028 -9.265 -7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.881 -10.015 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.413 -9.846 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.068 -12.354 -7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.765 -12.440 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.265 -11.010 -8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.247 -12.674 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.111 -12.794 -9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.482 -13.201 -9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.039 -11.644 -10.275 1.00 0.00 H new ATOM 719 N ALA A 49 2.269 -9.145 -4.681 1.00 0.00 N ATOM 720 CA ALA A 49 3.289 -8.774 -3.703 1.00 0.00 C ATOM 721 C ALA A 49 3.081 -9.483 -2.363 1.00 0.00 C ATOM 722 O ALA A 49 4.046 -9.754 -1.642 1.00 0.00 O ATOM 723 CB ALA A 49 3.263 -7.277 -3.480 1.00 0.00 C ATOM 0 H ALA A 49 1.683 -8.374 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 49 4.255 -9.082 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.025 -7.005 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.463 -6.765 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.282 -6.982 -3.108 1.00 0.00 H new ATOM 729 N ASN A 50 1.824 -9.769 -2.033 1.00 0.00 N ATOM 730 CA ASN A 50 1.422 -10.586 -0.910 1.00 0.00 C ATOM 731 C ASN A 50 2.027 -11.976 -1.064 1.00 0.00 C ATOM 732 O ASN A 50 2.747 -12.411 -0.174 1.00 0.00 O ATOM 733 CB ASN A 50 -0.105 -10.595 -0.790 1.00 0.00 C ATOM 734 CG ASN A 50 -0.647 -11.841 -0.125 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.607 -11.887 1.187 1.00 0.00 O flip ATOM 736 ND2 ASN A 50 -1.113 -12.753 -0.802 1.00 0.00 N flip ATOM 0 H ASN A 50 1.030 -9.419 -2.569 1.00 0.00 H new ATOM 0 HA ASN A 50 1.799 -10.173 0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.423 -9.721 -0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.541 -10.504 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.125 -12.678 -1.819 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.488 -13.586 -0.347 1.00 0.00 H new ATOM 743 N GLU A 51 1.845 -12.637 -2.209 1.00 0.00 N ATOM 744 CA GLU A 51 2.498 -13.924 -2.458 1.00 0.00 C ATOM 745 C GLU A 51 4.018 -13.817 -2.341 1.00 0.00 C ATOM 746 O GLU A 51 4.670 -14.719 -1.823 1.00 0.00 O ATOM 747 CB GLU A 51 2.178 -14.462 -3.854 1.00 0.00 C ATOM 748 CG GLU A 51 0.772 -15.040 -3.943 1.00 0.00 C ATOM 749 CD GLU A 51 0.608 -15.896 -5.200 1.00 0.00 C ATOM 750 OE1 GLU A 51 1.159 -15.538 -6.267 1.00 0.00 O ATOM 751 OE2 GLU A 51 -0.077 -16.941 -5.141 1.00 0.00 O ATOM 0 H GLU A 51 1.256 -12.306 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 51 2.111 -14.604 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.285 -13.659 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.902 -15.232 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.567 -15.643 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.042 -14.230 -3.953 1.00 0.00 H new ATOM 758 N ALA A 52 4.588 -12.703 -2.789 1.00 0.00 N ATOM 759 CA ALA A 52 6.028 -12.474 -2.788 1.00 0.00 C ATOM 760 C ALA A 52 6.541 -12.182 -1.382 1.00 0.00 C ATOM 761 O ALA A 52 7.747 -12.025 -1.203 1.00 0.00 O ATOM 762 CB ALA A 52 6.398 -11.324 -3.745 1.00 0.00 C ATOM 0 H ALA A 52 4.054 -11.922 -3.169 1.00 0.00 H new ATOM 0 HA ALA A 52 6.509 -13.387 -3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.477 -11.170 -3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.083 -11.577 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.896 -10.410 -3.427 1.00 0.00 H new ATOM 768 N MET A 53 5.654 -12.070 -0.392 1.00 0.00 N ATOM 769 CA MET A 53 5.940 -11.667 0.976 1.00 0.00 C ATOM 770 C MET A 53 6.684 -10.322 1.033 1.00 0.00 C ATOM 771 O MET A 53 7.450 -10.057 1.965 1.00 0.00 O ATOM 772 CB MET A 53 6.695 -12.781 1.723 1.00 0.00 C ATOM 773 CG MET A 53 5.991 -14.137 1.658 1.00 0.00 C ATOM 774 SD MET A 53 4.583 -14.281 2.773 1.00 0.00 S ATOM 775 CE MET A 53 3.426 -15.152 1.688 1.00 0.00 C ATOM 0 H MET A 53 4.664 -12.270 -0.536 1.00 0.00 H new ATOM 0 HA MET A 53 4.990 -11.513 1.487 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.695 -12.878 1.301 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.816 -12.492 2.767 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.653 -14.311 0.637 1.00 0.00 H new ATOM 0 HG3 MET A 53 6.711 -14.921 1.894 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.421 -15.093 2.106 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.436 -14.691 0.700 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.723 -16.197 1.603 1.00 0.00 H new ATOM 785 N ALA A 54 6.488 -9.492 0.004 1.00 0.00 N ATOM 786 CA ALA A 54 7.335 -8.350 -0.285 1.00 0.00 C ATOM 787 C ALA A 54 6.838 -7.066 0.362 1.00 0.00 C ATOM 788 O ALA A 54 7.550 -6.070 0.299 1.00 0.00 O ATOM 789 CB ALA A 54 7.377 -8.160 -1.803 1.00 0.00 C ATOM 0 H ALA A 54 5.720 -9.604 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 54 8.324 -8.553 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.009 -7.306 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.784 -9.057 -2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.368 -7.982 -2.176 1.00 0.00 H new ATOM 795 N ILE A 55 5.624 -7.045 0.905 1.00 0.00 N ATOM 796 CA ILE A 55 4.961 -5.836 1.361 1.00 0.00 C ATOM 797 C ILE A 55 5.530 -5.469 2.725 1.00 0.00 C ATOM 798 O ILE A 55 5.394 -6.231 3.681 1.00 0.00 O ATOM 799 CB ILE A 55 3.431 -6.042 1.363 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.990 -6.332 -0.084 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.734 -4.816 1.978 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.501 -6.563 -0.288 1.00 0.00 C ATOM 0 H ILE A 55 5.066 -7.888 1.041 1.00 0.00 H new ATOM 0 HA ILE A 55 5.147 -4.999 0.688 1.00 0.00 H new ATOM 0 HB ILE A 55 3.143 -6.891 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.298 -5.496 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.527 -7.212 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.655 -4.971 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.078 -4.678 3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.975 -3.929 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.304 -6.758 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.181 -7.420 0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.949 -5.677 0.027 1.00 0.00 H new ATOM 814 N ASP A 56 6.150 -4.296 2.802 1.00 0.00 N ATOM 815 CA ASP A 56 6.505 -3.706 4.090 1.00 0.00 C ATOM 816 C ASP A 56 5.307 -2.953 4.640 1.00 0.00 C ATOM 817 O ASP A 56 4.936 -3.156 5.786 1.00 0.00 O ATOM 818 CB ASP A 56 7.674 -2.733 3.988 1.00 0.00 C ATOM 819 CG ASP A 56 7.843 -2.019 5.333 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.405 -2.593 6.288 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.405 -0.851 5.440 1.00 0.00 O ATOM 0 H ASP A 56 6.417 -3.736 1.992 1.00 0.00 H new ATOM 0 HA ASP A 56 6.802 -4.524 4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.588 -3.267 3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.492 -2.007 3.196 1.00 0.00 H new ATOM 826 N THR A 57 4.691 -2.087 3.837 1.00 0.00 N ATOM 827 CA THR A 57 3.600 -1.228 4.271 1.00 0.00 C ATOM 828 C THR A 57 2.486 -1.341 3.238 1.00 0.00 C ATOM 829 O THR A 57 2.751 -1.199 2.050 1.00 0.00 O ATOM 830 CB THR A 57 4.105 0.220 4.383 1.00 0.00 C ATOM 831 OG1 THR A 57 5.106 0.364 5.363 1.00 0.00 O ATOM 832 CG2 THR A 57 3.002 1.158 4.857 1.00 0.00 C ATOM 0 H THR A 57 4.941 -1.964 2.856 1.00 0.00 H new ATOM 0 HA THR A 57 3.224 -1.528 5.249 1.00 0.00 H new ATOM 0 HB THR A 57 4.470 0.459 3.384 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.950 -0.002 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.392 2.173 4.925 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.175 1.134 4.148 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.649 0.838 5.837 1.00 0.00 H new ATOM 840 N LEU A 58 1.248 -1.555 3.676 1.00 0.00 N ATOM 841 CA LEU A 58 0.041 -1.604 2.859 1.00 0.00 C ATOM 842 C LEU A 58 -0.782 -0.369 3.182 1.00 0.00 C ATOM 843 O LEU A 58 -0.989 -0.068 4.351 1.00 0.00 O ATOM 844 CB LEU A 58 -0.739 -2.880 3.198 1.00 0.00 C ATOM 845 CG LEU A 58 -2.105 -2.993 2.495 1.00 0.00 C ATOM 846 CD1 LEU A 58 -1.959 -3.492 1.058 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.992 -3.968 3.262 1.00 0.00 C ATOM 0 H LEU A 58 1.050 -1.707 4.665 1.00 0.00 H new ATOM 0 HA LEU A 58 0.279 -1.620 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.132 -3.745 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.894 -2.922 4.276 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.551 -1.999 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.943 -3.559 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.338 -2.797 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.491 -4.477 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.959 -4.048 2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.516 -4.948 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.136 -3.605 4.280 1.00 0.00 H new ATOM 859 N LEU A 59 -1.228 0.348 2.155 1.00 0.00 N ATOM 860 CA LEU A 59 -2.065 1.533 2.235 1.00 0.00 C ATOM 861 C LEU A 59 -3.435 1.130 1.708 1.00 0.00 C ATOM 862 O LEU A 59 -3.515 0.553 0.621 1.00 0.00 O ATOM 863 CB LEU A 59 -1.533 2.739 1.421 1.00 0.00 C ATOM 864 CG LEU A 59 -0.101 2.704 0.865 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.169 3.982 0.062 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.980 2.570 1.942 1.00 0.00 C ATOM 0 H LEU A 59 -1.000 0.101 1.192 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.087 1.871 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.207 2.887 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.616 3.622 2.054 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.043 1.814 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.185 3.956 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.539 4.049 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.053 4.850 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.963 2.552 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.920 3.417 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.827 1.645 2.498 1.00 0.00 H new ATOM 878 N ILE A 60 -4.510 1.459 2.422 1.00 0.00 N ATOM 879 CA ILE A 60 -5.858 1.275 1.903 1.00 0.00 C ATOM 880 C ILE A 60 -6.765 2.398 2.410 1.00 0.00 C ATOM 881 O ILE A 60 -6.598 2.879 3.535 1.00 0.00 O ATOM 882 CB ILE A 60 -6.356 -0.135 2.284 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.552 -0.485 1.395 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.694 -0.279 3.779 1.00 0.00 C ATOM 885 CD1 ILE A 60 -8.018 -1.921 1.575 1.00 0.00 C ATOM 0 H ILE A 60 -4.471 1.854 3.361 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.870 1.337 0.815 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.545 -0.843 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.377 0.191 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.283 -0.323 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.038 -1.294 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.804 -0.074 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.479 0.429 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.868 -2.112 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.205 -2.602 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.316 -2.080 2.611 1.00 0.00 H new ATOM 897 N SER A 61 -7.735 2.806 1.592 1.00 0.00 N ATOM 898 CA SER A 61 -8.844 3.639 2.028 1.00 0.00 C ATOM 899 C SER A 61 -9.720 2.831 2.992 1.00 0.00 C ATOM 900 O SER A 61 -10.058 1.680 2.694 1.00 0.00 O ATOM 901 CB SER A 61 -9.608 4.145 0.789 1.00 0.00 C ATOM 902 OG SER A 61 -9.859 5.531 0.927 1.00 0.00 O ATOM 0 H SER A 61 -7.769 2.563 0.602 1.00 0.00 H new ATOM 0 HA SER A 61 -8.497 4.519 2.570 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.026 3.957 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.547 3.603 0.680 1.00 0.00 H new ATOM 0 HG SER A 61 -10.343 5.856 0.139 1.00 0.00 H new ATOM 908 N ASP A 62 -10.118 3.426 4.128 1.00 0.00 N ATOM 909 CA ASP A 62 -11.119 2.820 5.011 1.00 0.00 C ATOM 910 C ASP A 62 -12.362 2.447 4.216 1.00 0.00 C ATOM 911 O ASP A 62 -12.877 1.361 4.408 1.00 0.00 O ATOM 912 CB ASP A 62 -11.491 3.657 6.248 1.00 0.00 C ATOM 913 CG ASP A 62 -12.178 5.010 6.017 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.147 5.586 4.910 1.00 0.00 O ATOM 915 OD2 ASP A 62 -12.729 5.551 7.010 1.00 0.00 O ATOM 0 H ASP A 62 -9.761 4.324 4.453 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.647 1.924 5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.145 3.053 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.579 3.837 6.817 1.00 0.00 H new ATOM 920 N GLU A 63 -12.774 3.229 3.224 1.00 0.00 N ATOM 921 CA GLU A 63 -13.911 2.945 2.376 1.00 0.00 C ATOM 922 C GLU A 63 -13.835 1.568 1.702 1.00 0.00 C ATOM 923 O GLU A 63 -14.866 0.927 1.522 1.00 0.00 O ATOM 924 CB GLU A 63 -13.928 4.110 1.377 1.00 0.00 C ATOM 925 CG GLU A 63 -14.497 3.838 -0.010 1.00 0.00 C ATOM 926 CD GLU A 63 -15.988 3.514 -0.024 1.00 0.00 C ATOM 927 OE1 GLU A 63 -16.743 4.053 0.822 1.00 0.00 O ATOM 928 OE2 GLU A 63 -16.449 2.792 -0.935 1.00 0.00 O ATOM 0 H GLU A 63 -12.307 4.104 2.986 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.839 2.879 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.499 4.926 1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.905 4.465 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.321 4.710 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.952 3.006 -0.457 1.00 0.00 H new ATOM 935 N LEU A 64 -12.639 1.081 1.362 1.00 0.00 N ATOM 936 CA LEU A 64 -12.466 -0.251 0.788 1.00 0.00 C ATOM 937 C LEU A 64 -12.430 -1.285 1.911 1.00 0.00 C ATOM 938 O LEU A 64 -13.056 -2.342 1.824 1.00 0.00 O ATOM 939 CB LEU A 64 -11.173 -0.315 -0.030 1.00 0.00 C ATOM 940 CG LEU A 64 -11.058 0.721 -1.159 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.772 0.439 -1.928 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.248 0.722 -2.124 1.00 0.00 C ATOM 0 H LEU A 64 -11.768 1.599 1.477 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.303 -0.467 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.328 -0.186 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.086 -1.311 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.049 1.709 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.666 1.162 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.919 0.521 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.810 -0.568 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.093 1.480 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.337 -0.258 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.162 0.945 -1.574 1.00 0.00 H new ATOM 954 N PHE A 65 -11.763 -0.949 3.016 1.00 0.00 N ATOM 955 CA PHE A 65 -11.811 -1.704 4.262 1.00 0.00 C ATOM 956 C PHE A 65 -13.248 -1.851 4.811 1.00 0.00 C ATOM 957 O PHE A 65 -13.503 -2.721 5.645 1.00 0.00 O ATOM 958 CB PHE A 65 -10.902 -0.984 5.268 1.00 0.00 C ATOM 959 CG PHE A 65 -10.562 -1.770 6.506 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.802 -2.950 6.415 1.00 0.00 C ATOM 961 CD2 PHE A 65 -11.025 -1.310 7.751 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.558 -3.709 7.574 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.777 -2.068 8.907 1.00 0.00 C ATOM 964 CZ PHE A 65 -10.056 -3.273 8.816 1.00 0.00 C ATOM 0 H PHE A 65 -11.162 -0.126 3.067 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.463 -2.722 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.974 -0.712 4.764 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.386 -0.055 5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.408 -3.271 5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.568 -0.379 7.818 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.989 -4.625 7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.139 -1.726 9.865 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.884 -3.865 9.703 1.00 0.00 H new ATOM 974 N ARG A 66 -14.203 -1.037 4.345 1.00 0.00 N ATOM 975 CA ARG A 66 -15.631 -1.111 4.636 1.00 0.00 C ATOM 976 C ARG A 66 -16.417 -1.065 3.322 1.00 0.00 C ATOM 977 O ARG A 66 -17.465 -0.422 3.251 1.00 0.00 O ATOM 978 CB ARG A 66 -16.090 -0.067 5.692 1.00 0.00 C ATOM 979 CG ARG A 66 -14.998 0.626 6.521 1.00 0.00 C ATOM 980 CD ARG A 66 -15.509 1.319 7.783 1.00 0.00 C ATOM 981 NE ARG A 66 -15.558 0.439 8.961 1.00 0.00 N ATOM 982 CZ ARG A 66 -16.617 -0.213 9.447 1.00 0.00 C ATOM 983 NH1 ARG A 66 -17.809 -0.149 8.871 1.00 0.00 N ATOM 984 NH2 ARG A 66 -16.462 -0.939 10.539 1.00 0.00 N ATOM 0 H ARG A 66 -13.981 -0.264 3.717 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.847 -2.066 5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.662 0.704 5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.773 -0.563 6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.250 -0.114 6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.496 1.363 5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.867 2.172 8.004 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.508 1.712 7.592 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.681 0.312 9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.939 0.412 8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.596 -0.660 9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.549 -0.992 10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.255 -1.447 10.931 1.00 0.00 H new ATOM 998 N HIS A 67 -15.936 -1.741 2.272 1.00 0.00 N ATOM 999 CA HIS A 67 -16.643 -1.771 0.993 1.00 0.00 C ATOM 1000 C HIS A 67 -18.050 -2.347 1.198 1.00 0.00 C ATOM 1001 O HIS A 67 -18.304 -3.117 2.137 1.00 0.00 O ATOM 1002 CB HIS A 67 -15.838 -2.548 -0.063 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.291 -2.341 -1.491 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.438 -2.883 -2.067 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -15.593 -1.671 -2.455 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.411 -2.534 -3.362 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.320 -1.792 -3.621 1.00 0.00 N ATOM 0 H HIS A 67 -15.065 -2.271 2.285 1.00 0.00 H new ATOM 0 HA HIS A 67 -16.749 -0.755 0.612 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -14.790 -2.259 0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -15.894 -3.611 0.170 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.656 -1.149 -2.329 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.158 -2.809 -4.092 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.073 -1.388 -4.524 1.00 0.00 H new ATOM 1015 N GLN A 68 -18.975 -1.946 0.335 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.361 -2.378 0.336 1.00 0.00 C ATOM 1017 C GLN A 68 -20.494 -3.863 -0.034 1.00 0.00 C ATOM 1018 O GLN A 68 -21.060 -4.621 0.761 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.187 -1.421 -0.541 1.00 0.00 C ATOM 1020 CG GLN A 68 -20.689 -1.227 -1.984 1.00 0.00 C ATOM 1021 CD GLN A 68 -21.220 0.080 -2.565 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -22.405 0.194 -2.872 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -20.368 1.075 -2.723 1.00 0.00 N ATOM 0 H GLN A 68 -18.769 -1.284 -0.413 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.772 -2.319 1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.213 -1.788 -0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.215 -0.446 -0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.599 -1.222 -2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -21.014 -2.064 -2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -19.390 0.955 -2.460 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.688 1.964 -3.108 1.00 0.00 H new ATOM 1032 N ASP A 69 -19.957 -4.291 -1.181 1.00 0.00 N ATOM 1033 CA ASP A 69 -19.981 -5.687 -1.634 1.00 0.00 C ATOM 1034 C ASP A 69 -19.179 -6.503 -0.627 1.00 0.00 C ATOM 1035 O ASP A 69 -18.003 -6.219 -0.382 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.428 -5.820 -3.069 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.271 -7.267 -3.591 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -19.034 -8.213 -2.806 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -19.319 -7.469 -4.826 1.00 0.00 O ATOM 0 H ASP A 69 -19.484 -3.666 -1.834 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.004 -6.061 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.088 -5.278 -3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.456 -5.329 -3.112 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.831 -7.481 0.000 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.277 -8.281 1.083 1.00 0.00 C ATOM 1046 C VAL A 70 -17.997 -8.986 0.658 1.00 0.00 C ATOM 1047 O VAL A 70 -17.046 -9.021 1.434 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.364 -9.253 1.583 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.862 -10.371 2.512 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.421 -8.432 2.324 1.00 0.00 C ATOM 0 H VAL A 70 -20.787 -7.744 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.987 -7.635 1.912 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.757 -9.761 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.700 -11.001 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -19.122 -10.975 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -19.407 -9.930 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.205 -9.094 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.958 -7.918 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.854 -7.698 1.644 1.00 0.00 H new ATOM 1060 N ALA A 71 -17.940 -9.545 -0.546 1.00 0.00 N ATOM 1061 CA ALA A 71 -16.791 -10.290 -1.027 1.00 0.00 C ATOM 1062 C ALA A 71 -15.646 -9.369 -1.413 1.00 0.00 C ATOM 1063 O ALA A 71 -14.479 -9.733 -1.255 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.191 -11.086 -2.257 1.00 0.00 C ATOM 0 H ALA A 71 -18.703 -9.490 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.459 -10.945 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.331 -11.648 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -17.993 -11.778 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.537 -10.405 -3.035 1.00 0.00 H new ATOM 1070 N THR A 72 -15.961 -8.191 -1.939 1.00 0.00 N ATOM 1071 CA THR A 72 -14.962 -7.192 -2.268 1.00 0.00 C ATOM 1072 C THR A 72 -14.391 -6.606 -0.976 1.00 0.00 C ATOM 1073 O THR A 72 -13.170 -6.584 -0.832 1.00 0.00 O ATOM 1074 CB THR A 72 -15.576 -6.187 -3.242 1.00 0.00 C ATOM 1075 OG1 THR A 72 -15.816 -6.885 -4.452 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.680 -4.990 -3.522 1.00 0.00 C ATOM 0 H THR A 72 -16.918 -7.905 -2.148 1.00 0.00 H new ATOM 0 HA THR A 72 -14.102 -7.614 -2.789 1.00 0.00 H new ATOM 0 HB THR A 72 -16.487 -5.784 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.213 -6.275 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.178 -4.318 -4.221 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.478 -4.461 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.740 -5.332 -3.955 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.224 -6.250 0.012 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.758 -5.945 1.357 1.00 0.00 C ATOM 1086 C ARG A 73 -13.882 -7.084 1.849 1.00 0.00 C ATOM 1087 O ARG A 73 -12.750 -6.836 2.255 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.942 -5.713 2.308 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.397 -5.157 3.625 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.462 -5.020 4.712 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.879 -4.540 5.969 1.00 0.00 N ATOM 1092 CZ ARG A 73 -15.082 -5.218 6.798 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -14.964 -6.535 6.712 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -14.390 -4.551 7.717 1.00 0.00 N ATOM 0 H ARG A 73 -16.234 -6.168 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.173 -5.025 1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.653 -5.015 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.478 -6.646 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.602 -5.810 3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.948 -4.181 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.237 -4.329 4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.944 -5.984 4.876 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.107 -3.583 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.487 -7.049 6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.350 -7.035 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.473 -3.536 7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.777 -5.054 8.358 1.00 0.00 H new ATOM 1108 N SER A 74 -14.390 -8.317 1.802 1.00 0.00 N ATOM 1109 CA SER A 74 -13.670 -9.472 2.303 1.00 0.00 C ATOM 1110 C SER A 74 -12.263 -9.543 1.704 1.00 0.00 C ATOM 1111 O SER A 74 -11.337 -9.808 2.457 1.00 0.00 O ATOM 1112 CB SER A 74 -14.453 -10.774 2.096 1.00 0.00 C ATOM 1113 OG SER A 74 -13.985 -11.774 2.989 1.00 0.00 O ATOM 0 H SER A 74 -15.309 -8.535 1.416 1.00 0.00 H new ATOM 0 HA SER A 74 -13.561 -9.349 3.381 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.516 -10.598 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.342 -11.114 1.066 1.00 0.00 H new ATOM 0 HG SER A 74 -14.493 -12.601 2.850 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.065 -9.250 0.412 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.735 -9.260 -0.206 1.00 0.00 C ATOM 1121 C ARG A 75 -9.833 -8.286 0.511 1.00 0.00 C ATOM 1122 O ARG A 75 -8.776 -8.673 1.000 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.784 -8.885 -1.693 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.225 -10.061 -2.561 1.00 0.00 C ATOM 1125 CD ARG A 75 -11.895 -9.576 -3.849 1.00 0.00 C ATOM 1126 NE ARG A 75 -11.685 -10.527 -4.952 1.00 0.00 N ATOM 1127 CZ ARG A 75 -12.468 -10.671 -6.026 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -13.420 -9.776 -6.285 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -12.288 -11.714 -6.826 1.00 0.00 N ATOM 0 H ARG A 75 -12.818 -9.001 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.349 -10.276 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.471 -8.051 -1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.800 -8.545 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.361 -10.679 -2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.918 -10.690 -2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.963 -9.444 -3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.494 -8.601 -4.125 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.866 -11.132 -4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.553 -8.978 -5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.016 -9.888 -7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.558 -12.396 -6.619 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.879 -11.834 -7.648 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.243 -7.021 0.564 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.441 -5.984 1.175 1.00 0.00 C ATOM 1145 C TYR A 76 -9.049 -6.348 2.602 1.00 0.00 C ATOM 1146 O TYR A 76 -7.866 -6.267 2.941 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.215 -4.670 1.140 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.458 -4.150 -0.262 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.389 -3.947 -1.159 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.771 -3.889 -0.676 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.640 -3.480 -2.462 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -12.020 -3.403 -1.965 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.964 -3.205 -2.873 1.00 0.00 C ATOM 1154 OH TYR A 76 -11.252 -2.756 -4.124 1.00 0.00 O ATOM 0 H TYR A 76 -11.133 -6.696 0.186 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.515 -5.875 0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.174 -4.809 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.666 -3.919 1.708 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.376 -4.150 -0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.594 -4.063 0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.820 -3.331 -3.149 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.033 -3.178 -2.265 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.220 -2.628 -4.211 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.007 -6.748 3.440 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.730 -7.026 4.849 1.00 0.00 C ATOM 1166 C VAL A 77 -8.898 -8.298 5.004 1.00 0.00 C ATOM 1167 O VAL A 77 -7.993 -8.338 5.841 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.021 -7.051 5.688 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -11.872 -5.828 5.349 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.878 -8.307 5.485 1.00 0.00 C ATOM 0 H VAL A 77 -10.980 -6.886 3.167 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.129 -6.207 5.243 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.700 -7.049 6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.786 -5.845 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.311 -4.921 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.127 -5.845 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.768 -8.246 6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.175 -8.380 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.301 -9.190 5.760 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.162 -9.322 4.184 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.371 -10.539 4.166 1.00 0.00 C ATOM 1182 C ARG A 78 -6.933 -10.190 3.843 1.00 0.00 C ATOM 1183 O ARG A 78 -6.037 -10.570 4.583 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.930 -11.572 3.185 1.00 0.00 C ATOM 1185 CG ARG A 78 -10.032 -12.406 3.865 1.00 0.00 C ATOM 1186 CD ARG A 78 -10.208 -13.711 3.103 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.827 -14.768 3.924 1.00 0.00 N ATOM 1188 CZ ARG A 78 -10.149 -15.699 4.612 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -8.843 -15.859 4.445 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -10.777 -16.480 5.481 1.00 0.00 N ATOM 0 H ARG A 78 -9.933 -9.321 3.517 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.417 -11.000 5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.334 -11.069 2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.130 -12.226 2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.765 -12.609 4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.969 -11.850 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.824 -13.533 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.236 -14.054 2.748 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.846 -14.793 3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.337 -15.269 3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.344 -16.572 4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.781 -16.374 5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.256 -17.186 6.001 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.713 -9.428 2.776 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.394 -9.043 2.314 1.00 0.00 C ATOM 1206 C LEU A 79 -4.678 -8.171 3.347 1.00 0.00 C ATOM 1207 O LEU A 79 -3.497 -8.381 3.597 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.550 -8.338 0.966 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.210 -7.960 0.318 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.298 -9.160 0.050 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.535 -7.286 -1.008 1.00 0.00 C ATOM 0 H LEU A 79 -7.467 -9.055 2.199 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.767 -9.925 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.104 -8.986 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.147 -7.436 1.103 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.669 -7.312 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.370 -8.817 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.074 -9.664 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.800 -9.855 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.609 -6.999 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.089 -7.978 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.140 -6.398 -0.826 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.380 -7.211 3.958 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.898 -6.427 5.101 1.00 0.00 C ATOM 1225 C VAL A 80 -4.348 -7.372 6.177 1.00 0.00 C ATOM 1226 O VAL A 80 -3.224 -7.205 6.648 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.032 -5.508 5.624 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.863 -5.079 7.087 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.171 -4.238 4.773 1.00 0.00 C ATOM 0 H VAL A 80 -6.322 -6.951 3.665 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.079 -5.776 4.797 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.929 -6.122 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.696 -4.439 7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.845 -5.962 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.928 -4.531 7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.976 -3.620 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.236 -3.678 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.400 -4.513 3.743 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.146 -8.357 6.577 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.789 -9.303 7.621 1.00 0.00 C ATOM 1241 C ASP A 81 -3.607 -10.180 7.195 1.00 0.00 C ATOM 1242 O ASP A 81 -2.653 -10.335 7.956 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.038 -10.106 7.991 1.00 0.00 C ATOM 1244 CG ASP A 81 -5.752 -11.165 9.044 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -5.160 -10.818 10.092 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -6.158 -12.323 8.806 1.00 0.00 O ATOM 0 H ASP A 81 -6.070 -8.520 6.178 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.446 -8.776 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.807 -9.428 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.438 -10.584 7.097 1.00 0.00 H new ATOM 1251 N SER A 82 -3.613 -10.662 5.952 1.00 0.00 N ATOM 1252 CA SER A 82 -2.559 -11.459 5.341 1.00 0.00 C ATOM 1253 C SER A 82 -1.231 -10.711 5.309 1.00 0.00 C ATOM 1254 O SER A 82 -0.194 -11.325 5.522 1.00 0.00 O ATOM 1255 CB SER A 82 -2.968 -11.853 3.916 1.00 0.00 C ATOM 1256 OG SER A 82 -3.318 -13.221 3.842 1.00 0.00 O ATOM 0 H SER A 82 -4.393 -10.497 5.316 1.00 0.00 H new ATOM 0 HA SER A 82 -2.422 -12.354 5.948 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.812 -11.242 3.595 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.146 -11.648 3.230 1.00 0.00 H new ATOM 0 HG SER A 82 -3.576 -13.443 2.923 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.219 -9.399 5.072 1.00 0.00 N ATOM 1263 CA VAL A 83 0.026 -8.644 5.091 1.00 0.00 C ATOM 1264 C VAL A 83 0.689 -8.755 6.469 1.00 0.00 C ATOM 1265 O VAL A 83 1.913 -8.833 6.527 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.228 -7.206 4.594 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.897 -6.219 4.945 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.379 -7.248 3.063 1.00 0.00 C ATOM 0 H VAL A 83 -2.050 -8.845 4.867 1.00 0.00 H new ATOM 0 HA VAL A 83 0.751 -9.066 4.395 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.128 -6.848 5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.646 -5.230 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.014 -6.170 6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.830 -6.556 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.560 -6.241 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.534 -7.643 2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.219 -7.890 2.798 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.069 -8.835 7.568 1.00 0.00 N ATOM 1279 CA LYS A 84 0.507 -9.004 8.905 1.00 0.00 C ATOM 1280 C LYS A 84 0.985 -10.434 9.128 1.00 0.00 C ATOM 1281 O LYS A 84 1.970 -10.643 9.835 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.515 -8.636 9.980 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.007 -7.193 9.812 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.124 -6.854 10.793 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.420 -7.526 10.378 1.00 0.00 C ATOM 1286 NZ LYS A 84 -3.678 -8.775 11.134 1.00 0.00 N ATOM 0 H LYS A 84 -1.088 -8.785 7.556 1.00 0.00 H new ATOM 0 HA LYS A 84 1.365 -8.336 8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.362 -9.320 9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.068 -8.757 10.967 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.174 -6.506 9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.363 -7.048 8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.845 -7.177 11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.265 -5.774 10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.249 -6.835 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.384 -7.751 9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.051 -9.500 10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.791 -9.113 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.373 -8.589 11.885 1.00 0.00 H new ATOM 1300 N GLU A 85 0.309 -11.425 8.547 1.00 0.00 N ATOM 1301 CA GLU A 85 0.849 -12.788 8.487 1.00 0.00 C ATOM 1302 C GLU A 85 2.216 -12.765 7.802 1.00 0.00 C ATOM 1303 O GLU A 85 3.182 -13.326 8.315 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.093 -13.774 7.794 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.514 -13.817 8.367 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.683 -14.168 9.848 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -0.704 -14.291 10.620 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -2.858 -14.335 10.260 1.00 0.00 O ATOM 0 H GLU A 85 -0.607 -11.314 8.113 1.00 0.00 H new ATOM 0 HA GLU A 85 0.956 -13.145 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.151 -13.517 6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.339 -14.773 7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.970 -12.841 8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.087 -14.539 7.785 1.00 0.00 H new ATOM 1315 N ASN A 86 2.327 -12.012 6.709 1.00 0.00 N ATOM 1316 CA ASN A 86 3.538 -11.792 5.927 1.00 0.00 C ATOM 1317 C ASN A 86 4.482 -10.781 6.609 1.00 0.00 C ATOM 1318 O ASN A 86 5.291 -10.129 5.934 1.00 0.00 O ATOM 1319 CB ASN A 86 3.183 -11.302 4.514 1.00 0.00 C ATOM 1320 CG ASN A 86 2.261 -12.192 3.693 1.00 0.00 C ATOM 1321 OD1 ASN A 86 1.724 -13.212 4.112 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.087 -11.812 2.445 1.00 0.00 N ATOM 0 H ASN A 86 1.526 -11.511 6.325 1.00 0.00 H new ATOM 0 HA ASN A 86 4.059 -12.747 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.719 -10.320 4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.111 -11.168 3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.503 -12.367 1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.537 -10.963 2.103 1.00 0.00 H new ATOM 1329 N ALA A 87 4.339 -10.600 7.925 1.00 0.00 N ATOM 1330 CA ALA A 87 5.072 -9.726 8.831 1.00 0.00 C ATOM 1331 C ALA A 87 5.070 -8.234 8.469 1.00 0.00 C ATOM 1332 O ALA A 87 5.805 -7.465 9.092 1.00 0.00 O ATOM 1333 CB ALA A 87 6.490 -10.275 9.047 1.00 0.00 C ATOM 0 H ALA A 87 3.626 -11.123 8.433 1.00 0.00 H new ATOM 0 HA ALA A 87 4.522 -9.745 9.772 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.035 -9.618 9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.431 -11.274 9.478 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.011 -10.322 8.091 1.00 0.00 H new ATOM 1339 N GLY A 88 4.279 -7.799 7.494 1.00 0.00 N ATOM 1340 CA GLY A 88 4.196 -6.419 7.049 1.00 0.00 C ATOM 1341 C GLY A 88 3.252 -5.588 7.917 1.00 0.00 C ATOM 1342 O GLY A 88 2.572 -6.078 8.824 1.00 0.00 O ATOM 0 H GLY A 88 3.658 -8.421 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.190 -5.973 7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.853 -6.393 6.015 1.00 0.00 H new ATOM 1346 N THR A 89 3.205 -4.301 7.602 1.00 0.00 N ATOM 1347 CA THR A 89 2.501 -3.252 8.310 1.00 0.00 C ATOM 1348 C THR A 89 1.285 -2.812 7.493 1.00 0.00 C ATOM 1349 O THR A 89 1.288 -2.836 6.258 1.00 0.00 O ATOM 1350 CB THR A 89 3.511 -2.121 8.571 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.497 -2.612 9.462 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.872 -0.877 9.188 1.00 0.00 C ATOM 0 H THR A 89 3.696 -3.941 6.784 1.00 0.00 H new ATOM 0 HA THR A 89 2.110 -3.588 9.270 1.00 0.00 H new ATOM 0 HB THR A 89 3.932 -1.823 7.611 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.154 -1.908 9.643 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.636 -0.116 9.347 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.108 -0.488 8.515 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.415 -1.138 10.143 1.00 0.00 H new ATOM 1360 N VAL A 90 0.241 -2.378 8.196 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.028 -1.950 7.635 1.00 0.00 C ATOM 1362 C VAL A 90 -1.182 -0.455 7.937 1.00 0.00 C ATOM 1363 O VAL A 90 -0.697 0.039 8.956 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.135 -2.855 8.224 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.544 -2.328 7.936 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.004 -4.280 7.662 1.00 0.00 C ATOM 0 H VAL A 90 0.262 -2.314 9.214 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.093 -2.057 6.552 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.997 -2.858 9.305 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.281 -3.002 8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.657 -1.335 8.372 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.698 -2.271 6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.788 -4.910 8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.103 -4.254 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.029 -4.688 7.928 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.823 0.282 7.027 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.123 1.703 7.143 1.00 0.00 C ATOM 1378 C ARG A 91 -3.531 1.865 6.598 1.00 0.00 C ATOM 1379 O ARG A 91 -3.790 1.515 5.445 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.146 2.552 6.302 1.00 0.00 C ATOM 1381 CG ARG A 91 0.351 2.301 6.495 1.00 0.00 C ATOM 1382 CD ARG A 91 0.966 3.124 7.624 1.00 0.00 C ATOM 1383 NE ARG A 91 2.411 2.850 7.786 1.00 0.00 N ATOM 1384 CZ ARG A 91 3.061 2.553 8.921 1.00 0.00 C ATOM 1385 NH1 ARG A 91 2.416 2.522 10.085 1.00 0.00 N ATOM 1386 NH2 ARG A 91 4.361 2.286 8.872 1.00 0.00 N ATOM 0 H ARG A 91 -2.160 -0.118 6.151 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.030 2.038 8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.381 2.393 5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.342 3.603 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.510 1.242 6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.872 2.528 5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.819 4.185 7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.448 2.903 8.557 1.00 0.00 H new ATOM 0 HE ARG A 91 2.977 2.892 6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.417 2.725 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.921 2.295 10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.853 2.308 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.868 2.059 9.728 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.435 2.386 7.416 1.00 0.00 N ATOM 1401 CA ILE A 92 -5.844 2.539 7.073 1.00 0.00 C ATOM 1402 C ILE A 92 -6.098 4.042 7.023 1.00 0.00 C ATOM 1403 O ILE A 92 -5.939 4.724 8.035 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.750 1.802 8.086 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.338 0.339 8.374 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.222 1.869 7.638 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.411 -0.634 7.194 1.00 0.00 C ATOM 0 H ILE A 92 -4.207 2.720 8.352 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.084 2.086 6.111 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.621 2.331 9.030 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.316 0.340 8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.974 -0.044 9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.847 1.346 8.362 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.536 2.911 7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.327 1.398 6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.098 -1.626 7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.435 -0.680 6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.752 -0.290 6.397 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.436 4.559 5.845 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.638 5.979 5.572 1.00 0.00 C ATOM 1421 C PHE A 93 -8.114 6.315 5.822 1.00 0.00 C ATOM 1422 O PHE A 93 -8.914 5.417 6.083 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.312 6.249 4.094 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.861 6.258 3.636 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.894 5.356 4.129 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.493 7.158 2.619 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.566 5.417 3.672 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.178 7.190 2.135 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.205 6.334 2.672 1.00 0.00 C ATOM 0 H PHE A 93 -6.583 3.976 5.021 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.997 6.585 6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.837 5.499 3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.742 7.217 3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.176 4.614 4.862 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.231 7.831 2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.821 4.757 4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.913 7.877 1.345 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.185 6.380 2.319 1.00 0.00 H new ATOM 1439 N SER A 94 -8.496 7.590 5.755 1.00 0.00 N ATOM 1440 CA SER A 94 -9.891 8.005 5.666 1.00 0.00 C ATOM 1441 C SER A 94 -10.188 8.424 4.227 1.00 0.00 C ATOM 1442 O SER A 94 -9.438 9.234 3.684 1.00 0.00 O ATOM 1443 CB SER A 94 -10.148 9.156 6.639 1.00 0.00 C ATOM 1444 OG SER A 94 -9.841 8.758 7.966 1.00 0.00 O ATOM 0 H SER A 94 -7.838 8.369 5.761 1.00 0.00 H new ATOM 0 HA SER A 94 -10.551 7.181 5.937 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.541 10.018 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.191 9.467 6.578 1.00 0.00 H new ATOM 0 HG SER A 94 -10.008 9.505 8.578 1.00 0.00 H new ATOM 1450 N SER A 95 -11.296 7.948 3.651 1.00 0.00 N ATOM 1451 CA SER A 95 -11.763 8.286 2.306 1.00 0.00 C ATOM 1452 C SER A 95 -11.751 9.804 2.059 1.00 0.00 C ATOM 1453 O SER A 95 -11.335 10.243 0.988 1.00 0.00 O ATOM 1454 CB SER A 95 -13.179 7.705 2.115 1.00 0.00 C ATOM 1455 OG SER A 95 -13.421 7.186 0.820 1.00 0.00 O ATOM 0 H SER A 95 -11.915 7.292 4.128 1.00 0.00 H new ATOM 0 HA SER A 95 -11.082 7.849 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.337 6.913 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.911 8.485 2.325 1.00 0.00 H new ATOM 0 HG SER A 95 -14.335 6.835 0.774 1.00 0.00 H new ATOM 1461 N LEU A 96 -12.209 10.591 3.041 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.398 12.028 2.994 1.00 0.00 C ATOM 1463 C LEU A 96 -11.081 12.802 2.981 1.00 0.00 C ATOM 1464 O LEU A 96 -11.057 13.996 2.671 1.00 0.00 O ATOM 1465 CB LEU A 96 -13.150 12.428 4.273 1.00 0.00 C ATOM 1466 CG LEU A 96 -14.453 11.678 4.612 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -15.479 11.718 3.476 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -14.291 10.240 5.128 1.00 0.00 C ATOM 0 H LEU A 96 -12.472 10.204 3.947 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.937 12.268 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.467 12.307 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.385 13.490 4.204 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.833 12.250 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.374 11.173 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.740 12.754 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.054 11.256 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.273 9.814 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.784 9.638 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.700 10.247 6.044 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.988 12.184 3.419 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.716 12.856 3.552 1.00 0.00 C ATOM 1482 C HIS A 97 -8.174 13.197 2.162 1.00 0.00 C ATOM 1483 O HIS A 97 -8.507 12.510 1.195 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.783 11.921 4.332 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.636 12.639 4.966 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -5.321 12.267 4.932 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.728 13.776 5.714 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.626 13.192 5.594 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -5.436 14.129 6.127 1.00 0.00 N ATOM 0 H HIS A 97 -9.968 11.201 3.690 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.806 13.797 4.095 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.355 11.407 5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.398 11.156 3.658 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.637 14.311 5.947 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.550 13.191 5.691 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.166 14.924 6.706 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.270 14.180 2.052 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.603 14.438 0.774 1.00 0.00 C ATOM 1499 C VAL A 98 -5.892 13.162 0.327 1.00 0.00 C ATOM 1500 O VAL A 98 -5.915 12.826 -0.851 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.636 15.632 0.876 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.316 15.252 1.538 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.309 16.239 -0.488 1.00 0.00 C ATOM 0 H VAL A 98 -6.990 14.796 2.815 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.344 14.712 0.023 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.163 16.364 1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.668 16.127 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.507 14.885 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.828 14.471 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.624 17.077 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.843 15.483 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.227 16.590 -0.959 1.00 0.00 H new ATOM 1513 N SER A 99 -5.310 12.422 1.274 1.00 0.00 N ATOM 1514 CA SER A 99 -4.608 11.185 1.023 1.00 0.00 C ATOM 1515 C SER A 99 -5.558 10.112 0.490 1.00 0.00 C ATOM 1516 O SER A 99 -5.104 9.227 -0.224 1.00 0.00 O ATOM 1517 CB SER A 99 -3.906 10.760 2.312 1.00 0.00 C ATOM 1518 OG SER A 99 -3.140 11.839 2.797 1.00 0.00 O ATOM 0 H SER A 99 -5.321 12.684 2.260 1.00 0.00 H new ATOM 0 HA SER A 99 -3.856 11.328 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.641 10.455 3.057 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.265 9.898 2.125 1.00 0.00 H new ATOM 0 HG SER A 99 -2.276 11.860 2.336 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.862 10.212 0.771 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.879 9.350 0.204 1.00 0.00 C ATOM 1526 C GLY A 100 -8.169 9.731 -1.237 1.00 0.00 C ATOM 1527 O GLY A 100 -8.258 8.841 -2.084 1.00 0.00 O ATOM 0 H GLY A 100 -7.237 10.911 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.549 8.312 0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.793 9.421 0.794 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.254 11.031 -1.542 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.293 11.506 -2.923 1.00 0.00 C ATOM 1533 C GLU A 101 -7.041 11.021 -3.670 1.00 0.00 C ATOM 1534 O GLU A 101 -7.127 10.614 -4.831 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.382 13.042 -3.005 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.633 13.682 -2.389 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.372 14.551 -3.423 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -10.042 15.755 -3.567 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -11.222 14.024 -4.183 1.00 0.00 O ATOM 0 H GLU A 101 -8.297 11.774 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.191 11.098 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.505 13.463 -2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.330 13.333 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.300 12.903 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.349 14.292 -1.532 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.870 11.072 -3.028 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.605 10.701 -3.636 1.00 0.00 C ATOM 1548 C GLN A 102 -4.526 9.202 -3.899 1.00 0.00 C ATOM 1549 O GLN A 102 -4.073 8.804 -4.969 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.431 11.131 -2.780 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.242 12.640 -2.660 1.00 0.00 C ATOM 1552 CD GLN A 102 -3.856 13.516 -3.752 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -3.311 13.663 -4.844 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -5.007 14.106 -3.479 1.00 0.00 N ATOM 0 H GLN A 102 -5.781 11.377 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.552 11.224 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.557 10.715 -1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.520 10.697 -3.193 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.656 12.956 -1.703 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.172 12.844 -2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.445 13.973 -2.567 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.457 14.695 -4.180 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.951 8.367 -2.944 1.00 0.00 N ATOM 1564 CA LEU A 103 -4.961 6.921 -3.122 1.00 0.00 C ATOM 1565 C LEU A 103 -5.933 6.535 -4.228 1.00 0.00 C ATOM 1566 O LEU A 103 -5.696 5.569 -4.943 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.340 6.216 -1.802 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.684 4.841 -1.607 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.163 4.846 -1.645 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.088 4.242 -0.258 1.00 0.00 C ATOM 0 H LEU A 103 -5.294 8.677 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.960 6.599 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.062 6.860 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.423 6.097 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.042 4.253 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.792 3.832 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.824 5.220 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.781 5.490 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.614 3.268 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.767 4.905 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.171 4.126 -0.221 1.00 0.00 H new ATOM 1582 N SER A 104 -7.008 7.299 -4.401 1.00 0.00 N ATOM 1583 CA SER A 104 -8.038 7.066 -5.407 1.00 0.00 C ATOM 1584 C SER A 104 -7.474 7.021 -6.827 1.00 0.00 C ATOM 1585 O SER A 104 -7.841 6.148 -7.611 1.00 0.00 O ATOM 1586 CB SER A 104 -9.077 8.177 -5.324 1.00 0.00 C ATOM 1587 OG SER A 104 -10.360 7.623 -5.520 1.00 0.00 O ATOM 0 H SER A 104 -7.191 8.122 -3.827 1.00 0.00 H new ATOM 0 HA SER A 104 -8.483 6.093 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.024 8.670 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.876 8.937 -6.079 1.00 0.00 H new ATOM 0 HG SER A 104 -11.034 8.332 -5.466 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.511 7.897 -7.134 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.775 7.915 -8.403 1.00 0.00 C ATOM 1595 C GLN A 105 -5.085 6.569 -8.692 1.00 0.00 C ATOM 1596 O GLN A 105 -4.643 6.302 -9.810 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.696 9.000 -8.308 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.228 10.421 -8.097 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.158 11.490 -8.324 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -4.383 12.450 -9.053 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -2.987 11.391 -7.710 1.00 0.00 N ATOM 0 H GLN A 105 -6.215 8.631 -6.491 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.483 8.110 -9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.024 8.753 -7.486 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.102 8.982 -9.221 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.062 10.597 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.618 10.512 -7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.795 10.594 -7.103 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.278 12.112 -7.845 1.00 0.00 H new ATOM 1610 N LEU A 106 -4.984 5.721 -7.673 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.346 4.428 -7.623 1.00 0.00 C ATOM 1612 C LEU A 106 -5.342 3.408 -7.056 1.00 0.00 C ATOM 1613 O LEU A 106 -4.935 2.505 -6.324 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.114 4.526 -6.719 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.080 5.610 -7.026 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.147 5.712 -5.819 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.307 5.251 -8.288 1.00 0.00 C ATOM 0 H LEU A 106 -5.394 5.957 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.037 4.110 -8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.462 4.677 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.605 3.563 -6.744 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.563 6.571 -7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.395 6.478 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.725 5.978 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.655 4.753 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.573 6.029 -8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.796 4.299 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.998 5.168 -9.127 1.00 0.00 H new ATOM 1629 N THR A 107 -6.643 3.539 -7.326 1.00 0.00 N ATOM 1630 CA THR A 107 -7.697 2.584 -6.957 1.00 0.00 C ATOM 1631 C THR A 107 -7.920 2.447 -5.434 1.00 0.00 C ATOM 1632 O THR A 107 -8.625 1.547 -4.988 1.00 0.00 O ATOM 1633 CB THR A 107 -7.486 1.231 -7.681 1.00 0.00 C ATOM 1634 OG1 THR A 107 -6.383 0.525 -7.167 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.219 1.378 -9.185 1.00 0.00 C ATOM 0 H THR A 107 -7.009 4.347 -7.829 1.00 0.00 H new ATOM 0 HA THR A 107 -8.640 2.999 -7.312 1.00 0.00 H new ATOM 0 HB THR A 107 -8.422 0.699 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.932 1.071 -6.489 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.081 0.392 -9.628 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.067 1.873 -9.658 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.319 1.974 -9.338 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.326 3.325 -4.621 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.481 3.407 -3.172 1.00 0.00 C ATOM 1645 C GLY A 108 -6.858 2.246 -2.383 1.00 0.00 C ATOM 1646 O GLY A 108 -7.152 2.108 -1.194 1.00 0.00 O ATOM 0 H GLY A 108 -6.689 4.036 -4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.036 4.340 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.545 3.455 -2.938 1.00 0.00 H new ATOM 1650 N VAL A 109 -5.985 1.437 -2.992 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.220 0.387 -2.320 1.00 0.00 C ATOM 1652 C VAL A 109 -3.843 0.259 -2.990 1.00 0.00 C ATOM 1653 O VAL A 109 -3.747 0.216 -4.225 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.040 -0.921 -2.317 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.277 -1.453 -3.733 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.400 -2.004 -1.440 1.00 0.00 C ATOM 0 H VAL A 109 -5.787 1.498 -3.991 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.035 0.636 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.008 -0.669 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.858 -2.374 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.824 -0.710 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.318 -1.654 -4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.013 -2.905 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.402 -2.232 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.330 -1.646 -0.413 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.760 0.271 -2.213 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.390 0.144 -2.708 1.00 0.00 C ATOM 1668 C ALA A 110 -0.493 -0.382 -1.589 1.00 0.00 C ATOM 1669 O ALA A 110 -0.964 -0.578 -0.473 1.00 0.00 O ATOM 1670 CB ALA A 110 -0.895 1.498 -3.238 1.00 0.00 C ATOM 0 H ALA A 110 -2.812 0.372 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.359 -0.566 -3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.126 1.394 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.541 1.828 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.919 2.234 -2.434 1.00 0.00 H new ATOM 1676 N ALA A 111 0.785 -0.647 -1.863 1.00 0.00 N ATOM 1677 CA ALA A 111 1.736 -1.059 -0.841 1.00 0.00 C ATOM 1678 C ALA A 111 3.165 -0.756 -1.286 1.00 0.00 C ATOM 1679 O ALA A 111 3.496 -0.919 -2.463 1.00 0.00 O ATOM 1680 CB ALA A 111 1.579 -2.561 -0.553 1.00 0.00 C ATOM 0 H ALA A 111 1.185 -0.581 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 111 1.532 -0.498 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.294 -2.861 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.566 -2.760 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.765 -3.128 -1.465 1.00 0.00 H new ATOM 1686 N ILE A 112 4.014 -0.389 -0.328 1.00 0.00 N ATOM 1687 CA ILE A 112 5.443 -0.241 -0.495 1.00 0.00 C ATOM 1688 C ILE A 112 6.041 -1.626 -0.329 1.00 0.00 C ATOM 1689 O ILE A 112 5.691 -2.363 0.605 1.00 0.00 O ATOM 1690 CB ILE A 112 6.038 0.742 0.540 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.381 2.133 0.428 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.559 0.835 0.322 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.817 3.134 1.511 1.00 0.00 C ATOM 0 H ILE A 112 3.704 -0.180 0.621 1.00 0.00 H new ATOM 0 HA ILE A 112 5.673 0.175 -1.476 1.00 0.00 H new ATOM 0 HB ILE A 112 5.836 0.371 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.613 2.552 -0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.299 2.014 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.989 1.526 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.006 -0.151 0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.761 1.196 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.306 4.084 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.560 2.741 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.895 3.287 1.452 1.00 0.00 H new ATOM 1705 N LEU A 113 6.964 -1.967 -1.222 1.00 0.00 N ATOM 1706 CA LEU A 113 7.628 -3.252 -1.232 1.00 0.00 C ATOM 1707 C LEU A 113 9.039 -3.081 -0.704 1.00 0.00 C ATOM 1708 O LEU A 113 9.730 -2.114 -1.031 1.00 0.00 O ATOM 1709 CB LEU A 113 7.669 -3.833 -2.647 1.00 0.00 C ATOM 1710 CG LEU A 113 6.297 -3.887 -3.339 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.418 -4.208 -4.823 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.396 -4.927 -2.696 1.00 0.00 C ATOM 0 H LEU A 113 7.272 -1.344 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 113 7.073 -3.944 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.348 -3.235 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.083 -4.840 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 113 5.861 -2.895 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.425 -4.236 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.016 -3.440 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.900 -5.178 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.434 -4.941 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.862 -5.909 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.245 -4.678 -1.646 1.00 0.00 H new ATOM 1724 N ARG A 114 9.484 -4.061 0.074 1.00 0.00 N ATOM 1725 CA ARG A 114 10.853 -4.216 0.547 1.00 0.00 C ATOM 1726 C ARG A 114 11.794 -4.262 -0.652 1.00 0.00 C ATOM 1727 O ARG A 114 12.706 -3.447 -0.766 1.00 0.00 O ATOM 1728 CB ARG A 114 10.959 -5.512 1.365 1.00 0.00 C ATOM 1729 CG ARG A 114 9.969 -5.632 2.534 1.00 0.00 C ATOM 1730 CD ARG A 114 10.009 -7.044 3.129 1.00 0.00 C ATOM 1731 NE ARG A 114 11.040 -7.117 4.172 1.00 0.00 N ATOM 1732 CZ ARG A 114 12.343 -7.351 3.983 1.00 0.00 C ATOM 1733 NH1 ARG A 114 12.765 -7.949 2.875 1.00 0.00 N ATOM 1734 NH2 ARG A 114 13.211 -6.962 4.901 1.00 0.00 N ATOM 0 H ARG A 114 8.870 -4.804 0.408 1.00 0.00 H new ATOM 0 HA ARG A 114 11.131 -3.374 1.181 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.809 -6.359 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.972 -5.592 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.215 -4.900 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 114 8.960 -5.405 2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.036 -7.299 3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 114 10.219 -7.772 2.346 1.00 0.00 H new ATOM 0 HE ARG A 114 10.732 -6.975 5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 114 12.094 -8.233 2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 114 13.760 -8.124 2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 114 12.885 -6.488 5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 114 14.207 -7.135 4.767 1.00 0.00 H new ATOM 1748 N PHE A 115 11.534 -5.203 -1.557 1.00 0.00 N ATOM 1749 CA PHE A 115 12.367 -5.544 -2.695 1.00 0.00 C ATOM 1750 C PHE A 115 11.522 -5.438 -3.963 1.00 0.00 C ATOM 1751 O PHE A 115 10.294 -5.509 -3.875 1.00 0.00 O ATOM 1752 CB PHE A 115 12.940 -6.952 -2.487 1.00 0.00 C ATOM 1753 CG PHE A 115 11.994 -8.021 -1.972 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.175 -8.760 -2.852 1.00 0.00 C ATOM 1755 CD2 PHE A 115 11.999 -8.319 -0.597 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.401 -9.821 -2.349 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.202 -9.361 -0.096 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.419 -10.121 -0.976 1.00 0.00 C ATOM 0 H PHE A 115 10.691 -5.775 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 115 13.209 -4.859 -2.795 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.349 -7.293 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.775 -6.877 -1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.143 -8.513 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.618 -7.744 0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.791 -10.407 -3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.192 -9.576 0.962 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.827 -10.941 -0.597 1.00 0.00 H new ATOM 1768 N PRO A 116 12.149 -5.248 -5.136 1.00 0.00 N ATOM 1769 CA PRO A 116 11.435 -5.177 -6.394 1.00 0.00 C ATOM 1770 C PRO A 116 10.858 -6.560 -6.665 1.00 0.00 C ATOM 1771 O PRO A 116 11.610 -7.534 -6.795 1.00 0.00 O ATOM 1772 CB PRO A 116 12.457 -4.706 -7.429 1.00 0.00 C ATOM 1773 CG PRO A 116 13.797 -5.179 -6.877 1.00 0.00 C ATOM 1774 CD PRO A 116 13.587 -5.248 -5.364 1.00 0.00 C ATOM 0 HA PRO A 116 10.596 -4.481 -6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.257 -5.136 -8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.435 -3.622 -7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.072 -6.152 -7.284 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.599 -4.487 -7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.043 -6.148 -4.951 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.056 -4.397 -4.870 1.00 0.00 H new ATOM 1782 N VAL A 117 9.533 -6.675 -6.681 1.00 0.00 N ATOM 1783 CA VAL A 117 8.871 -7.943 -6.961 1.00 0.00 C ATOM 1784 C VAL A 117 9.141 -8.241 -8.442 1.00 0.00 C ATOM 1785 O VAL A 117 8.762 -7.420 -9.280 1.00 0.00 O ATOM 1786 CB VAL A 117 7.362 -7.853 -6.658 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.624 -9.151 -7.016 1.00 0.00 C ATOM 1788 CG2 VAL A 117 7.053 -7.584 -5.179 1.00 0.00 C ATOM 0 H VAL A 117 8.895 -5.900 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 117 9.252 -8.746 -6.330 1.00 0.00 H new ATOM 0 HB VAL A 117 7.022 -7.018 -7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.564 -9.042 -6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.745 -9.357 -8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 117 7.038 -9.977 -6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.974 -7.533 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.462 -8.390 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.504 -6.638 -4.879 1.00 0.00 H new ATOM 1798 N PRO A 118 9.798 -9.359 -8.798 1.00 0.00 N ATOM 1799 CA PRO A 118 9.953 -9.746 -10.191 1.00 0.00 C ATOM 1800 C PRO A 118 8.557 -10.055 -10.737 1.00 0.00 C ATOM 1801 O PRO A 118 7.895 -10.980 -10.256 1.00 0.00 O ATOM 1802 CB PRO A 118 10.918 -10.935 -10.201 1.00 0.00 C ATOM 1803 CG PRO A 118 10.841 -11.516 -8.788 1.00 0.00 C ATOM 1804 CD PRO A 118 10.339 -10.374 -7.908 1.00 0.00 C ATOM 0 HA PRO A 118 10.374 -8.974 -10.835 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.627 -11.673 -10.948 1.00 0.00 H new ATOM 0 HB3 PRO A 118 11.932 -10.619 -10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 118 10.163 -12.369 -8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 118 11.817 -11.869 -8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 118 9.575 -10.727 -7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 118 11.150 -9.966 -7.305 1.00 0.00 H new ATOM 1812 N SER A 119 8.054 -9.217 -11.643 1.00 0.00 N ATOM 1813 CA SER A 119 6.683 -9.271 -12.119 1.00 0.00 C ATOM 1814 C SER A 119 6.527 -8.400 -13.371 1.00 0.00 C ATOM 1815 O SER A 119 6.080 -8.889 -14.414 1.00 0.00 O ATOM 1816 CB SER A 119 5.724 -8.837 -10.994 1.00 0.00 C ATOM 1817 OG SER A 119 4.681 -9.784 -10.857 1.00 0.00 O ATOM 0 H SER A 119 8.602 -8.471 -12.071 1.00 0.00 H new ATOM 0 HA SER A 119 6.429 -10.294 -12.397 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.269 -8.746 -10.055 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.308 -7.855 -11.218 1.00 0.00 H new ATOM 0 HG SER A 119 3.817 -9.321 -10.853 1.00 0.00 H new ATOM 1823 N GLY A 120 6.866 -7.115 -13.283 1.00 0.00 N ATOM 1824 CA GLY A 120 6.744 -6.118 -14.337 1.00 0.00 C ATOM 1825 C GLY A 120 5.738 -5.034 -13.930 1.00 0.00 C ATOM 1826 O GLY A 120 4.690 -5.368 -13.361 1.00 0.00 O ATOM 0 H GLY A 120 7.254 -6.723 -12.425 1.00 0.00 H new ATOM 0 HA2 GLY A 120 7.716 -5.666 -14.534 1.00 0.00 H new ATOM 0 HA3 GLY A 120 6.421 -6.595 -15.262 1.00 0.00 H new ATOM 1830 N PRO A 121 6.000 -3.753 -14.254 1.00 0.00 N ATOM 1831 CA PRO A 121 5.288 -2.604 -13.691 1.00 0.00 C ATOM 1832 C PRO A 121 3.840 -2.481 -14.176 1.00 0.00 C ATOM 1833 O PRO A 121 3.014 -1.911 -13.462 1.00 0.00 O ATOM 1834 CB PRO A 121 6.120 -1.379 -14.088 1.00 0.00 C ATOM 1835 CG PRO A 121 6.837 -1.819 -15.361 1.00 0.00 C ATOM 1836 CD PRO A 121 7.086 -3.301 -15.108 1.00 0.00 C ATOM 0 HA PRO A 121 5.194 -2.711 -12.610 1.00 0.00 H new ATOM 0 HB2 PRO A 121 5.489 -0.508 -14.266 1.00 0.00 H new ATOM 0 HB3 PRO A 121 6.827 -1.106 -13.305 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.224 -1.657 -16.248 1.00 0.00 H new ATOM 0 HG3 PRO A 121 7.768 -1.272 -15.512 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.103 -3.859 -16.044 1.00 0.00 H new ATOM 0 HD3 PRO A 121 8.051 -3.457 -14.626 1.00 0.00 H new ATOM 1844 N SER A 122 3.520 -3.049 -15.344 1.00 0.00 N ATOM 1845 CA SER A 122 2.169 -3.338 -15.808 1.00 0.00 C ATOM 1846 C SER A 122 1.193 -2.149 -15.673 1.00 0.00 C ATOM 1847 O SER A 122 0.212 -2.204 -14.928 1.00 0.00 O ATOM 1848 CB SER A 122 1.700 -4.633 -15.127 1.00 0.00 C ATOM 1849 OG SER A 122 2.675 -5.665 -15.242 1.00 0.00 O ATOM 0 H SER A 122 4.232 -3.330 -16.018 1.00 0.00 H new ATOM 0 HA SER A 122 2.182 -3.497 -16.886 1.00 0.00 H new ATOM 0 HB2 SER A 122 1.497 -4.439 -14.074 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.764 -4.964 -15.577 1.00 0.00 H new ATOM 0 HG SER A 122 3.373 -5.532 -14.567 1.00 0.00 H new ATOM 1855 N SER A 123 1.463 -1.088 -16.440 1.00 0.00 N ATOM 1856 CA SER A 123 0.755 0.198 -16.465 1.00 0.00 C ATOM 1857 C SER A 123 -0.719 0.106 -16.908 1.00 0.00 C ATOM 1858 O SER A 123 -1.456 1.091 -16.796 1.00 0.00 O ATOM 1859 CB SER A 123 1.572 1.124 -17.388 1.00 0.00 C ATOM 1860 OG SER A 123 1.072 2.439 -17.550 1.00 0.00 O ATOM 0 H SER A 123 2.235 -1.105 -17.106 1.00 0.00 H new ATOM 0 HA SER A 123 0.689 0.589 -15.450 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.588 1.189 -16.998 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.637 0.658 -18.371 1.00 0.00 H new ATOM 0 HG SER A 123 0.127 2.464 -17.290 1.00 0.00 H new ATOM 1866 N GLY A 124 -1.178 -1.038 -17.419 1.00 0.00 N ATOM 1867 CA GLY A 124 -2.560 -1.231 -17.826 1.00 0.00 C ATOM 1868 C GLY A 124 -3.265 -2.086 -16.813 1.00 0.00 C ATOM 1869 O GLY A 124 -3.333 -3.309 -17.063 1.00 0.00 O ATOM 0 H GLY A 124 -0.591 -1.860 -17.561 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.062 -0.268 -17.917 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -2.599 -1.704 -18.807 1.00 0.00 H new TER 1873 GLY A 124