USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 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 Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.707 X(o=-0.71,f=-0.37) USER MOD Single : A 32 THR OG1 : rot 144:sc= 0.347 USER MOD Single : A 44 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.35 K(o=1.3,f=-0.019) USER MOD Single : A 58 MET CE :methyl -172:sc= -1.43 (180deg=-1.66) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 2.42 (180deg=2.28) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.5) USER MOD Single : A 77 SER OG : rot -105:sc= 2.01 USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= 0.814 (180deg=0.72) USER MOD Single : A 86 HIS : no HE2:sc= 0.629 K(o=0.63,f=-3.5!) USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= 0.776 (180deg=0.539) USER MOD Single : A 89 SER OG : rot 46:sc= 0.0744 USER MOD Single : A 92 ASN : amide:sc= -0.066 X(o=-0.066,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 83:sc= 0.0796 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 4.687 10.223 7.482 1.00 0.00 N ATOM 36 CA SER A 30 4.900 10.115 6.026 1.00 0.00 C ATOM 37 C SER A 30 3.627 10.450 5.237 1.00 0.00 C ATOM 38 O SER A 30 3.707 10.644 4.030 1.00 0.00 O ATOM 39 CB SER A 30 5.328 8.697 5.622 1.00 0.00 C ATOM 40 OG SER A 30 6.677 8.463 5.964 1.00 0.00 O ATOM 0 HA SER A 30 5.687 10.831 5.789 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.690 7.965 6.118 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.192 8.563 4.549 1.00 0.00 H new ATOM 0 HG SER A 30 6.929 7.554 5.699 1.00 0.00 H new ATOM 46 N ASN A 31 2.466 10.527 5.910 1.00 0.00 N ATOM 47 CA ASN A 31 1.131 10.917 5.422 1.00 0.00 C ATOM 48 C ASN A 31 0.539 10.206 4.184 1.00 0.00 C ATOM 49 O ASN A 31 -0.665 10.340 3.965 1.00 0.00 O ATOM 50 CB ASN A 31 0.956 12.459 5.366 1.00 0.00 C ATOM 51 CG ASN A 31 2.208 13.293 5.146 1.00 0.00 C ATOM 52 OD1 ASN A 31 2.794 13.815 6.087 1.00 0.00 O ATOM 53 ND2 ASN A 31 2.646 13.469 3.921 1.00 0.00 N ATOM 0 H ASN A 31 2.435 10.296 6.903 1.00 0.00 H new ATOM 0 HA ASN A 31 0.497 10.502 6.205 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.251 12.690 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.496 12.781 6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.474 14.040 3.753 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.158 13.034 3.138 1.00 0.00 H new ATOM 60 N THR A 32 1.303 9.444 3.388 1.00 0.00 N ATOM 61 CA THR A 32 0.847 8.981 2.053 1.00 0.00 C ATOM 62 C THR A 32 1.290 7.579 1.620 1.00 0.00 C ATOM 63 O THR A 32 1.464 7.359 0.419 1.00 0.00 O ATOM 64 CB THR A 32 1.232 10.006 0.961 1.00 0.00 C ATOM 65 OG1 THR A 32 2.632 10.144 0.870 1.00 0.00 O ATOM 66 CG2 THR A 32 0.657 11.399 1.190 1.00 0.00 C ATOM 0 H THR A 32 2.241 9.131 3.638 1.00 0.00 H new ATOM 0 HA THR A 32 -0.234 8.904 2.168 1.00 0.00 H new ATOM 0 HB THR A 32 0.806 9.601 0.043 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.887 10.277 -0.067 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.972 12.060 0.382 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.431 11.344 1.211 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.019 11.790 2.141 1.00 0.00 H new ATOM 74 N ARG A 33 1.468 6.600 2.524 1.00 0.00 N ATOM 75 CA ARG A 33 2.149 5.333 2.168 1.00 0.00 C ATOM 76 C ARG A 33 1.478 4.079 2.696 1.00 0.00 C ATOM 77 O ARG A 33 1.214 3.944 3.879 1.00 0.00 O ATOM 78 CB ARG A 33 3.603 5.408 2.643 1.00 0.00 C ATOM 79 CG ARG A 33 4.531 6.035 1.618 1.00 0.00 C ATOM 80 CD ARG A 33 5.745 6.730 2.229 1.00 0.00 C ATOM 81 NE ARG A 33 6.822 6.803 1.240 1.00 0.00 N ATOM 82 CZ ARG A 33 8.112 6.636 1.418 1.00 0.00 C ATOM 83 NH1 ARG A 33 8.640 6.443 2.585 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.881 6.636 0.377 1.00 0.00 N ATOM 0 H ARG A 33 1.157 6.655 3.494 1.00 0.00 H new ATOM 0 HA ARG A 33 2.092 5.240 1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.648 5.985 3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.955 4.403 2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.874 5.261 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.969 6.759 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.474 7.732 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.083 6.184 3.110 1.00 0.00 H new ATOM 0 HE ARG A 33 6.531 7.012 0.285 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.047 6.416 3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.648 6.318 2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.481 6.764 -0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.887 6.508 0.486 1.00 0.00 H new ATOM 98 N LEU A 34 1.250 3.104 1.835 1.00 0.00 N ATOM 99 CA LEU A 34 0.416 1.942 2.134 1.00 0.00 C ATOM 100 C LEU A 34 1.232 0.635 2.228 1.00 0.00 C ATOM 101 O LEU A 34 1.857 0.250 1.237 1.00 0.00 O ATOM 102 CB LEU A 34 -0.749 1.897 1.136 1.00 0.00 C ATOM 103 CG LEU A 34 -1.460 3.230 0.741 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.745 4.227 1.879 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.750 3.949 -0.403 1.00 0.00 C ATOM 0 H LEU A 34 1.642 3.092 0.893 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.011 2.043 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.379 1.437 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.507 1.229 1.545 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.439 2.877 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.240 5.109 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.390 3.757 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.806 4.521 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.283 4.870 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.271 4.187 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.731 3.304 -1.282 1.00 0.00 H new ATOM 117 N PHE A 35 1.204 -0.050 3.383 1.00 0.00 N ATOM 118 CA PHE A 35 2.064 -1.185 3.750 1.00 0.00 C ATOM 119 C PHE A 35 1.159 -2.409 3.714 1.00 0.00 C ATOM 120 O PHE A 35 0.266 -2.652 4.526 1.00 0.00 O ATOM 121 CB PHE A 35 2.883 -0.924 5.035 1.00 0.00 C ATOM 122 CG PHE A 35 3.689 -2.080 5.603 1.00 0.00 C ATOM 123 CD1 PHE A 35 4.943 -2.395 5.047 1.00 0.00 C ATOM 124 CD2 PHE A 35 3.252 -2.777 6.744 1.00 0.00 C ATOM 125 CE1 PHE A 35 5.763 -3.374 5.638 1.00 0.00 C ATOM 126 CE2 PHE A 35 4.074 -3.743 7.346 1.00 0.00 C ATOM 127 CZ PHE A 35 5.332 -4.042 6.800 1.00 0.00 C ATOM 0 H PHE A 35 0.545 0.187 4.125 1.00 0.00 H new ATOM 0 HA PHE A 35 2.880 -1.357 3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.570 -0.102 4.834 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.195 -0.582 5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.279 -1.881 4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.277 -2.568 7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.721 -3.613 5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.737 -4.258 8.233 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.966 -4.780 7.269 1.00 0.00 H new ATOM 137 N VAL A 36 1.341 -3.121 2.617 1.00 0.00 N ATOM 138 CA VAL A 36 0.400 -4.081 2.071 1.00 0.00 C ATOM 139 C VAL A 36 1.173 -5.372 1.850 1.00 0.00 C ATOM 140 O VAL A 36 1.995 -5.503 0.952 1.00 0.00 O ATOM 141 CB VAL A 36 -0.156 -3.325 0.852 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.843 -4.035 -0.265 1.00 0.00 C ATOM 143 CG2 VAL A 36 -1.192 -2.289 1.343 1.00 0.00 C ATOM 0 H VAL A 36 2.189 -3.042 2.056 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.450 -4.406 2.671 1.00 0.00 H new ATOM 0 HB VAL A 36 0.776 -2.965 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.154 -3.312 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.159 -4.755 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.719 -4.558 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.595 -1.745 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.002 -2.802 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.711 -1.588 2.025 1.00 0.00 H new ATOM 153 N ARG A 37 0.941 -6.310 2.770 1.00 0.00 N ATOM 154 CA ARG A 37 1.774 -7.502 2.998 1.00 0.00 C ATOM 155 C ARG A 37 1.105 -8.880 3.266 1.00 0.00 C ATOM 156 O ARG A 37 1.862 -9.827 3.488 1.00 0.00 O ATOM 157 CB ARG A 37 2.726 -7.109 4.150 1.00 0.00 C ATOM 158 CG ARG A 37 1.964 -6.659 5.418 1.00 0.00 C ATOM 159 CD ARG A 37 2.706 -6.900 6.733 1.00 0.00 C ATOM 160 NE ARG A 37 1.883 -6.428 7.870 1.00 0.00 N ATOM 161 CZ ARG A 37 0.870 -7.051 8.448 1.00 0.00 C ATOM 162 NH1 ARG A 37 0.545 -8.282 8.158 1.00 0.00 N ATOM 163 NH2 ARG A 37 0.162 -6.415 9.326 1.00 0.00 N ATOM 0 H ARG A 37 0.141 -6.263 3.401 1.00 0.00 H new ATOM 0 HA ARG A 37 2.250 -7.725 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.365 -7.958 4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.381 -6.303 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.742 -5.595 5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.009 -7.182 5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.925 -7.962 6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.662 -6.376 6.723 1.00 0.00 H new ATOM 0 HE ARG A 37 2.126 -5.514 8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.081 -8.800 7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.244 -8.725 8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.389 -5.449 9.562 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.623 -6.880 9.782 1.00 0.00 H new ATOM 177 N PRO A 38 -0.236 -9.079 3.283 1.00 0.00 N ATOM 178 CA PRO A 38 -0.844 -10.411 3.460 1.00 0.00 C ATOM 179 C PRO A 38 -0.391 -11.501 2.487 1.00 0.00 C ATOM 180 O PRO A 38 -0.282 -12.672 2.853 1.00 0.00 O ATOM 181 CB PRO A 38 -2.344 -10.205 3.246 1.00 0.00 C ATOM 182 CG PRO A 38 -2.566 -8.788 3.722 1.00 0.00 C ATOM 183 CD PRO A 38 -1.297 -8.081 3.260 1.00 0.00 C ATOM 0 HA PRO A 38 -0.544 -10.769 4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.622 -10.327 2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.935 -10.920 3.818 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.460 -8.347 3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.687 -8.738 4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.424 -7.672 2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.058 -7.245 3.917 1.00 0.00 H new ATOM 191 N PHE A 39 -0.203 -11.096 1.233 1.00 0.00 N ATOM 192 CA PHE A 39 0.004 -11.940 0.061 1.00 0.00 C ATOM 193 C PHE A 39 1.388 -12.601 0.012 1.00 0.00 C ATOM 194 O PHE A 39 2.339 -12.118 0.634 1.00 0.00 O ATOM 195 CB PHE A 39 -0.132 -11.077 -1.197 1.00 0.00 C ATOM 196 CG PHE A 39 -0.829 -9.742 -1.037 1.00 0.00 C ATOM 197 CD1 PHE A 39 -0.115 -8.641 -0.528 1.00 0.00 C ATOM 198 CD2 PHE A 39 -2.185 -9.600 -1.388 1.00 0.00 C ATOM 199 CE1 PHE A 39 -0.770 -7.419 -0.354 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.809 -8.348 -1.280 1.00 0.00 C ATOM 201 CZ PHE A 39 -2.105 -7.258 -0.760 1.00 0.00 C ATOM 0 H PHE A 39 -0.191 -10.104 0.994 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.743 -12.732 0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.867 -10.893 -1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.671 -11.654 -1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.930 -8.740 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.744 -10.454 -1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.245 -6.590 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.834 -8.226 -1.599 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.586 -6.295 -0.671 1.00 0.00 H new ATOM 211 N PRO A 40 1.538 -13.657 -0.803 1.00 0.00 N ATOM 212 CA PRO A 40 2.846 -14.178 -1.163 1.00 0.00 C ATOM 213 C PRO A 40 3.505 -13.335 -2.270 1.00 0.00 C ATOM 214 O PRO A 40 2.961 -12.319 -2.710 1.00 0.00 O ATOM 215 CB PRO A 40 2.571 -15.622 -1.608 1.00 0.00 C ATOM 216 CG PRO A 40 1.182 -15.522 -2.239 1.00 0.00 C ATOM 217 CD PRO A 40 0.479 -14.483 -1.372 1.00 0.00 C ATOM 0 HA PRO A 40 3.554 -14.141 -0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.315 -15.974 -2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.584 -16.314 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.235 -15.207 -3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.662 -16.480 -2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.210 -13.881 -1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.108 -14.961 -0.588 1.00 0.00 H new ATOM 225 N LEU A 41 4.676 -13.776 -2.752 1.00 0.00 N ATOM 226 CA LEU A 41 5.480 -13.147 -3.816 1.00 0.00 C ATOM 227 C LEU A 41 4.682 -12.826 -5.098 1.00 0.00 C ATOM 228 O LEU A 41 5.092 -11.977 -5.892 1.00 0.00 O ATOM 229 CB LEU A 41 6.665 -14.072 -4.176 1.00 0.00 C ATOM 230 CG LEU A 41 7.814 -14.184 -3.150 1.00 0.00 C ATOM 231 CD1 LEU A 41 7.429 -14.844 -1.828 1.00 0.00 C ATOM 232 CD2 LEU A 41 8.947 -15.014 -3.758 1.00 0.00 C ATOM 0 H LEU A 41 5.113 -14.625 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 41 5.825 -12.193 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.270 -15.073 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.088 -13.727 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 41 8.105 -13.157 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.299 -14.878 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.637 -14.267 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.076 -15.858 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.763 -15.098 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.577 -16.009 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.310 -14.527 -4.663 1.00 0.00 H new ATOM 244 N ASP A 42 3.552 -13.506 -5.316 1.00 0.00 N ATOM 245 CA ASP A 42 2.635 -13.329 -6.444 1.00 0.00 C ATOM 246 C ASP A 42 1.957 -11.939 -6.509 1.00 0.00 C ATOM 247 O ASP A 42 1.485 -11.564 -7.592 1.00 0.00 O ATOM 248 CB ASP A 42 1.567 -14.430 -6.397 1.00 0.00 C ATOM 249 CG ASP A 42 2.168 -15.844 -6.461 1.00 0.00 C ATOM 250 OD1 ASP A 42 2.589 -16.375 -5.416 1.00 0.00 O ATOM 251 OD2 ASP A 42 2.212 -16.437 -7.567 1.00 0.00 O ATOM 0 H ASP A 42 3.236 -14.234 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 42 3.240 -13.400 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.986 -14.328 -5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.876 -14.296 -7.229 1.00 0.00 H new ATOM 256 N VAL A 43 1.893 -11.154 -5.423 1.00 0.00 N ATOM 257 CA VAL A 43 1.388 -9.762 -5.487 1.00 0.00 C ATOM 258 C VAL A 43 2.314 -8.869 -6.316 1.00 0.00 C ATOM 259 O VAL A 43 3.541 -8.957 -6.245 1.00 0.00 O ATOM 260 CB VAL A 43 1.114 -9.145 -4.098 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.398 -8.937 -3.302 1.00 0.00 C ATOM 262 CG2 VAL A 43 0.365 -7.798 -4.128 1.00 0.00 C ATOM 0 H VAL A 43 2.182 -11.452 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 43 0.423 -9.817 -5.991 1.00 0.00 H new ATOM 0 HB VAL A 43 0.470 -9.882 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.158 -8.501 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.895 -9.896 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.060 -8.265 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.217 -7.441 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.951 -7.068 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.604 -7.931 -4.610 1.00 0.00 H new ATOM 272 N GLN A 44 1.693 -8.001 -7.101 1.00 0.00 N ATOM 273 CA GLN A 44 2.312 -7.175 -8.136 1.00 0.00 C ATOM 274 C GLN A 44 1.528 -5.873 -8.289 1.00 0.00 C ATOM 275 O GLN A 44 0.416 -5.727 -7.776 1.00 0.00 O ATOM 276 CB GLN A 44 2.277 -7.949 -9.470 1.00 0.00 C ATOM 277 CG GLN A 44 3.267 -9.118 -9.583 1.00 0.00 C ATOM 278 CD GLN A 44 2.845 -10.091 -10.680 1.00 0.00 C ATOM 279 OE1 GLN A 44 3.169 -9.945 -11.852 1.00 0.00 O ATOM 280 NE2 GLN A 44 2.094 -11.115 -10.332 1.00 0.00 N ATOM 0 H GLN A 44 0.688 -7.843 -7.032 1.00 0.00 H new ATOM 0 HA GLN A 44 3.341 -6.945 -7.860 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.268 -8.334 -9.620 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.475 -7.249 -10.282 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.265 -8.734 -9.797 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.325 -9.643 -8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.822 -11.240 -9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.784 -11.783 -11.038 1.00 0.00 H new ATOM 289 N GLU A 45 2.074 -4.945 -9.084 1.00 0.00 N ATOM 290 CA GLU A 45 1.382 -3.710 -9.449 1.00 0.00 C ATOM 291 C GLU A 45 -0.009 -3.978 -10.045 1.00 0.00 C ATOM 292 O GLU A 45 -0.891 -3.166 -9.839 1.00 0.00 O ATOM 293 CB GLU A 45 2.242 -2.896 -10.440 1.00 0.00 C ATOM 294 CG GLU A 45 1.868 -1.402 -10.476 1.00 0.00 C ATOM 295 CD GLU A 45 1.904 -0.799 -11.896 1.00 0.00 C ATOM 296 OE1 GLU A 45 2.913 -0.974 -12.619 1.00 0.00 O ATOM 297 OE2 GLU A 45 0.923 -0.122 -12.286 1.00 0.00 O ATOM 0 H GLU A 45 3.006 -5.032 -9.490 1.00 0.00 H new ATOM 0 HA GLU A 45 1.235 -3.134 -8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.293 -2.995 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.131 -3.317 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.869 -1.274 -10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.554 -0.847 -9.835 1.00 0.00 H new ATOM 304 N SER A 46 -0.258 -5.114 -10.715 1.00 0.00 N ATOM 305 CA SER A 46 -1.593 -5.518 -11.199 1.00 0.00 C ATOM 306 C SER A 46 -2.605 -5.841 -10.078 1.00 0.00 C ATOM 307 O SER A 46 -3.797 -5.541 -10.192 1.00 0.00 O ATOM 308 CB SER A 46 -1.451 -6.743 -12.110 1.00 0.00 C ATOM 309 OG SER A 46 -0.725 -7.776 -11.468 1.00 0.00 O ATOM 0 H SER A 46 0.472 -5.790 -10.941 1.00 0.00 H new ATOM 0 HA SER A 46 -1.993 -4.658 -11.737 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.439 -7.109 -12.389 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.944 -6.457 -13.032 1.00 0.00 H new ATOM 0 HG SER A 46 -0.650 -8.546 -12.070 1.00 0.00 H new ATOM 315 N GLU A 47 -2.140 -6.419 -8.970 1.00 0.00 N ATOM 316 CA GLU A 47 -2.919 -6.869 -7.823 1.00 0.00 C ATOM 317 C GLU A 47 -3.334 -5.627 -7.013 1.00 0.00 C ATOM 318 O GLU A 47 -4.492 -5.374 -6.662 1.00 0.00 O ATOM 319 CB GLU A 47 -1.922 -7.731 -7.024 1.00 0.00 C ATOM 320 CG GLU A 47 -2.427 -9.037 -6.449 1.00 0.00 C ATOM 321 CD GLU A 47 -3.703 -8.883 -5.613 1.00 0.00 C ATOM 322 OE1 GLU A 47 -3.652 -8.197 -4.577 1.00 0.00 O ATOM 323 OE2 GLU A 47 -4.751 -9.454 -5.998 1.00 0.00 O ATOM 0 H GLU A 47 -1.143 -6.595 -8.845 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.824 -7.421 -8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.076 -7.955 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.540 -7.127 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.618 -9.734 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.647 -9.478 -5.829 1.00 0.00 H new ATOM 330 N LEU A 48 -2.331 -4.774 -6.838 1.00 0.00 N ATOM 331 CA LEU A 48 -2.450 -3.454 -6.279 1.00 0.00 C ATOM 332 C LEU A 48 -3.302 -2.579 -7.200 1.00 0.00 C ATOM 333 O LEU A 48 -4.136 -1.838 -6.710 1.00 0.00 O ATOM 334 CB LEU A 48 -1.021 -2.939 -6.086 1.00 0.00 C ATOM 335 CG LEU A 48 -0.168 -3.844 -5.178 1.00 0.00 C ATOM 336 CD1 LEU A 48 1.314 -3.679 -5.408 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.366 -3.479 -3.740 1.00 0.00 C ATOM 0 H LEU A 48 -1.372 -5.006 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.961 -3.444 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.538 -2.853 -7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.057 -1.937 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.487 -4.859 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.862 -4.343 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.552 -3.929 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.600 -2.646 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.244 -4.129 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.070 -2.442 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.416 -3.601 -3.475 1.00 0.00 H new ATOM 349 N ASN A 49 -3.207 -2.701 -8.524 1.00 0.00 N ATOM 350 CA ASN A 49 -4.110 -1.975 -9.440 1.00 0.00 C ATOM 351 C ASN A 49 -5.582 -2.378 -9.233 1.00 0.00 C ATOM 352 O ASN A 49 -6.453 -1.509 -9.235 1.00 0.00 O ATOM 353 CB ASN A 49 -3.718 -2.126 -10.917 1.00 0.00 C ATOM 354 CG ASN A 49 -2.926 -0.946 -11.453 1.00 0.00 C ATOM 355 OD1 ASN A 49 -3.420 -0.127 -12.217 1.00 0.00 O ATOM 356 ND2 ASN A 49 -1.674 -0.843 -11.099 1.00 0.00 N ATOM 0 H ASN A 49 -2.519 -3.291 -8.992 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.000 -0.921 -9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.129 -3.035 -11.038 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.621 -2.250 -11.514 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.103 -0.078 -11.459 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.266 -1.527 -10.462 1.00 0.00 H new ATOM 363 N GLU A 50 -5.870 -3.663 -9.017 1.00 0.00 N ATOM 364 CA GLU A 50 -7.222 -4.116 -8.656 1.00 0.00 C ATOM 365 C GLU A 50 -7.723 -3.514 -7.326 1.00 0.00 C ATOM 366 O GLU A 50 -8.891 -3.129 -7.232 1.00 0.00 O ATOM 367 CB GLU A 50 -7.251 -5.647 -8.575 1.00 0.00 C ATOM 368 CG GLU A 50 -7.510 -6.313 -9.929 1.00 0.00 C ATOM 369 CD GLU A 50 -8.974 -6.164 -10.389 1.00 0.00 C ATOM 370 OE1 GLU A 50 -9.832 -6.981 -9.979 1.00 0.00 O ATOM 371 OE2 GLU A 50 -9.279 -5.238 -11.182 1.00 0.00 O ATOM 0 H GLU A 50 -5.184 -4.414 -9.085 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.895 -3.765 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.300 -6.002 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.025 -5.954 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.851 -5.875 -10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.259 -7.372 -9.864 1.00 0.00 H new ATOM 378 N ILE A 51 -6.858 -3.416 -6.310 1.00 0.00 N ATOM 379 CA ILE A 51 -7.239 -2.921 -4.969 1.00 0.00 C ATOM 380 C ILE A 51 -7.260 -1.379 -4.857 1.00 0.00 C ATOM 381 O ILE A 51 -8.152 -0.824 -4.223 1.00 0.00 O ATOM 382 CB ILE A 51 -6.260 -3.523 -3.945 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.466 -5.048 -3.804 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.364 -2.847 -2.566 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.338 -5.736 -3.017 1.00 0.00 C ATOM 0 H ILE A 51 -5.875 -3.675 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.263 -3.237 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.258 -3.335 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.417 -5.236 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.533 -5.493 -4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.653 -3.308 -1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.138 -1.785 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.375 -2.969 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.540 -6.805 -2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.388 -5.576 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.286 -5.315 -2.013 1.00 0.00 H new ATOM 397 N PHE A 52 -6.276 -0.697 -5.453 1.00 0.00 N ATOM 398 CA PHE A 52 -5.966 0.733 -5.299 1.00 0.00 C ATOM 399 C PHE A 52 -6.447 1.603 -6.462 1.00 0.00 C ATOM 400 O PHE A 52 -6.679 2.801 -6.295 1.00 0.00 O ATOM 401 CB PHE A 52 -4.467 0.956 -5.204 1.00 0.00 C ATOM 402 CG PHE A 52 -3.804 0.482 -3.940 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.619 -0.889 -3.703 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.287 1.422 -3.036 1.00 0.00 C ATOM 405 CE1 PHE A 52 -2.840 -1.328 -2.631 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.473 0.982 -1.987 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.196 -0.382 -1.831 1.00 0.00 C ATOM 0 H PHE A 52 -5.632 -1.156 -6.097 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.490 1.024 -4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.992 0.456 -6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.272 2.023 -5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.084 -1.612 -4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.515 2.472 -3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.737 -2.383 -2.424 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.056 1.698 -1.294 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.481 -0.704 -1.088 1.00 0.00 H new ATOM 417 N GLY A 53 -6.625 1.008 -7.647 1.00 0.00 N ATOM 418 CA GLY A 53 -7.253 1.647 -8.804 1.00 0.00 C ATOM 419 C GLY A 53 -8.594 2.354 -8.515 1.00 0.00 C ATOM 420 O GLY A 53 -8.835 3.397 -9.131 1.00 0.00 O ATOM 0 H GLY A 53 -6.330 0.049 -7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.557 2.377 -9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.417 0.891 -9.572 1.00 0.00 H new ATOM 424 N PRO A 54 -9.458 1.882 -7.584 1.00 0.00 N ATOM 425 CA PRO A 54 -10.657 2.621 -7.170 1.00 0.00 C ATOM 426 C PRO A 54 -10.381 3.979 -6.493 1.00 0.00 C ATOM 427 O PRO A 54 -11.267 4.837 -6.484 1.00 0.00 O ATOM 428 CB PRO A 54 -11.414 1.694 -6.208 1.00 0.00 C ATOM 429 CG PRO A 54 -10.855 0.304 -6.494 1.00 0.00 C ATOM 430 CD PRO A 54 -9.407 0.632 -6.826 1.00 0.00 C ATOM 0 HA PRO A 54 -11.229 2.879 -8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.250 1.981 -5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.489 1.733 -6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.940 -0.359 -5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.367 -0.183 -7.324 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.812 0.746 -5.920 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.948 -0.164 -7.411 1.00 0.00 H new ATOM 438 N PHE A 55 -9.190 4.190 -5.920 1.00 0.00 N ATOM 439 CA PHE A 55 -8.885 5.375 -5.107 1.00 0.00 C ATOM 440 C PHE A 55 -8.558 6.592 -5.972 1.00 0.00 C ATOM 441 O PHE A 55 -9.138 7.665 -5.782 1.00 0.00 O ATOM 442 CB PHE A 55 -7.678 5.124 -4.179 1.00 0.00 C ATOM 443 CG PHE A 55 -7.668 3.854 -3.362 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.869 3.190 -3.055 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.434 3.327 -2.935 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.845 1.980 -2.355 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.427 2.165 -2.136 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.628 1.482 -1.874 1.00 0.00 C ATOM 0 H PHE A 55 -8.407 3.542 -6.007 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.781 5.572 -4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.777 5.135 -4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.605 5.966 -3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.813 3.616 -3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.507 3.805 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.760 1.432 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.498 1.799 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.612 0.568 -1.299 1.00 0.00 H new ATOM 458 N GLY A 56 -7.606 6.437 -6.889 1.00 0.00 N ATOM 459 CA GLY A 56 -7.040 7.573 -7.607 1.00 0.00 C ATOM 460 C GLY A 56 -5.661 7.326 -8.237 1.00 0.00 C ATOM 461 O GLY A 56 -5.554 6.480 -9.135 1.00 0.00 O ATOM 0 H GLY A 56 -7.211 5.534 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.734 7.867 -8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.962 8.415 -6.919 1.00 0.00 H new ATOM 465 N PRO A 57 -4.607 8.063 -7.826 1.00 0.00 N ATOM 466 CA PRO A 57 -3.336 8.112 -8.550 1.00 0.00 C ATOM 467 C PRO A 57 -2.387 6.918 -8.382 1.00 0.00 C ATOM 468 O PRO A 57 -1.704 6.576 -9.351 1.00 0.00 O ATOM 469 CB PRO A 57 -2.678 9.414 -8.091 1.00 0.00 C ATOM 470 CG PRO A 57 -3.195 9.609 -6.668 1.00 0.00 C ATOM 471 CD PRO A 57 -4.575 8.954 -6.670 1.00 0.00 C ATOM 0 HA PRO A 57 -3.549 8.065 -9.618 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.591 9.341 -8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.955 10.249 -8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.534 9.141 -5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.258 10.666 -6.410 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.743 8.399 -5.747 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.362 9.706 -6.737 1.00 0.00 H new ATOM 479 N MET A 58 -2.332 6.295 -7.194 1.00 0.00 N ATOM 480 CA MET A 58 -1.341 5.253 -6.802 1.00 0.00 C ATOM 481 C MET A 58 0.041 5.476 -7.438 1.00 0.00 C ATOM 482 O MET A 58 0.559 4.696 -8.243 1.00 0.00 O ATOM 483 CB MET A 58 -1.895 3.842 -6.965 1.00 0.00 C ATOM 484 CG MET A 58 -2.562 3.553 -8.320 1.00 0.00 C ATOM 485 SD MET A 58 -3.251 1.887 -8.523 1.00 0.00 S ATOM 486 CE MET A 58 -2.003 0.909 -7.652 1.00 0.00 C ATOM 0 H MET A 58 -2.995 6.503 -6.447 1.00 0.00 H new ATOM 0 HA MET A 58 -1.164 5.364 -5.732 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.082 3.131 -6.819 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.623 3.661 -6.174 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.362 4.277 -8.471 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.828 3.720 -9.108 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.201 -0.152 -7.805 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.014 1.153 -8.039 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.042 1.136 -6.587 1.00 0.00 H new ATOM 496 N LYS A 59 0.585 6.638 -7.083 1.00 0.00 N ATOM 497 CA LYS A 59 1.742 7.298 -7.663 1.00 0.00 C ATOM 498 C LYS A 59 3.043 6.504 -7.583 1.00 0.00 C ATOM 499 O LYS A 59 3.873 6.605 -8.487 1.00 0.00 O ATOM 500 CB LYS A 59 1.797 8.652 -6.949 1.00 0.00 C ATOM 501 CG LYS A 59 2.844 9.636 -7.413 1.00 0.00 C ATOM 502 CD LYS A 59 4.228 9.539 -6.786 1.00 0.00 C ATOM 503 CE LYS A 59 4.361 9.261 -5.296 1.00 0.00 C ATOM 504 NZ LYS A 59 5.795 9.329 -4.907 1.00 0.00 N ATOM 0 H LYS A 59 0.191 7.184 -6.317 1.00 0.00 H new ATOM 0 HA LYS A 59 1.634 7.404 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.821 9.126 -7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.955 8.467 -5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.955 9.525 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.463 10.641 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.771 8.755 -7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.745 10.477 -6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.783 9.989 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.955 8.277 -5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.882 9.206 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.322 8.574 -5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.185 10.254 -5.180 1.00 0.00 H new ATOM 518 N GLU A 60 3.210 5.685 -6.546 1.00 0.00 N ATOM 519 CA GLU A 60 4.292 4.700 -6.472 1.00 0.00 C ATOM 520 C GLU A 60 3.800 3.410 -5.847 1.00 0.00 C ATOM 521 O GLU A 60 2.826 3.391 -5.098 1.00 0.00 O ATOM 522 CB GLU A 60 5.540 5.282 -5.774 1.00 0.00 C ATOM 523 CG GLU A 60 6.749 5.362 -6.710 1.00 0.00 C ATOM 524 CD GLU A 60 7.844 6.257 -6.102 1.00 0.00 C ATOM 525 OE1 GLU A 60 7.618 7.487 -5.999 1.00 0.00 O ATOM 526 OE2 GLU A 60 8.927 5.740 -5.740 1.00 0.00 O ATOM 0 H GLU A 60 2.598 5.684 -5.730 1.00 0.00 H new ATOM 0 HA GLU A 60 4.609 4.453 -7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.310 6.278 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.792 4.664 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.145 4.362 -6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.442 5.760 -7.677 1.00 0.00 H new ATOM 533 N VAL A 61 4.450 2.318 -6.233 1.00 0.00 N ATOM 534 CA VAL A 61 3.991 0.956 -5.988 1.00 0.00 C ATOM 535 C VAL A 61 5.208 0.048 -5.895 1.00 0.00 C ATOM 536 O VAL A 61 5.593 -0.633 -6.847 1.00 0.00 O ATOM 537 CB VAL A 61 3.024 0.494 -7.116 1.00 0.00 C ATOM 538 CG1 VAL A 61 2.258 -0.732 -6.638 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.994 1.510 -7.636 1.00 0.00 C ATOM 0 H VAL A 61 5.335 2.357 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 61 3.435 0.911 -5.051 1.00 0.00 H new ATOM 0 HB VAL A 61 3.689 0.310 -7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.577 -1.064 -7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.961 -1.532 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.687 -0.479 -5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.391 1.049 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.347 1.824 -6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.513 2.378 -8.043 1.00 0.00 H new ATOM 549 N LYS A 62 5.888 0.118 -4.756 1.00 0.00 N ATOM 550 CA LYS A 62 7.156 -0.582 -4.556 1.00 0.00 C ATOM 551 C LYS A 62 6.873 -2.024 -4.153 1.00 0.00 C ATOM 552 O LYS A 62 6.169 -2.256 -3.181 1.00 0.00 O ATOM 553 CB LYS A 62 7.993 0.166 -3.514 1.00 0.00 C ATOM 554 CG LYS A 62 8.055 1.670 -3.864 1.00 0.00 C ATOM 555 CD LYS A 62 9.277 2.399 -3.306 1.00 0.00 C ATOM 556 CE LYS A 62 9.475 2.122 -1.819 1.00 0.00 C ATOM 557 NZ LYS A 62 10.628 2.901 -1.310 1.00 0.00 N ATOM 0 H LYS A 62 5.580 0.658 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 62 7.735 -0.606 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.559 0.033 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.000 -0.249 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.046 1.779 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.154 2.155 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.166 2.089 -3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.163 3.472 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.573 2.388 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.645 1.057 -1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.757 2.708 -0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.488 2.627 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.449 3.916 -1.449 1.00 0.00 H new ATOM 571 N ILE A 63 7.401 -2.971 -4.920 1.00 0.00 N ATOM 572 CA ILE A 63 7.083 -4.414 -4.851 1.00 0.00 C ATOM 573 C ILE A 63 8.307 -5.244 -4.440 1.00 0.00 C ATOM 574 O ILE A 63 9.372 -5.169 -5.053 1.00 0.00 O ATOM 575 CB ILE A 63 6.568 -4.974 -6.197 1.00 0.00 C ATOM 576 CG1 ILE A 63 5.575 -4.107 -7.004 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.993 -6.391 -6.005 1.00 0.00 C ATOM 578 CD1 ILE A 63 4.191 -3.916 -6.381 1.00 0.00 C ATOM 0 H ILE A 63 8.092 -2.758 -5.640 1.00 0.00 H new ATOM 0 HA ILE A 63 6.297 -4.498 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 63 7.464 -4.979 -6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.022 -3.124 -7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.449 -4.556 -7.989 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.635 -6.771 -6.962 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.771 -7.051 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.166 -6.355 -5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.581 -3.292 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.711 -4.887 -6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.293 -3.433 -5.409 1.00 0.00 H new ATOM 590 N LEU A 64 8.130 -6.055 -3.394 1.00 0.00 N ATOM 591 CA LEU A 64 9.113 -6.944 -2.787 1.00 0.00 C ATOM 592 C LEU A 64 8.475 -8.328 -2.498 1.00 0.00 C ATOM 593 O LEU A 64 7.305 -8.549 -2.801 1.00 0.00 O ATOM 594 CB LEU A 64 9.636 -6.292 -1.490 1.00 0.00 C ATOM 595 CG LEU A 64 10.272 -4.887 -1.566 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.366 -3.708 -1.948 1.00 0.00 C ATOM 597 CD2 LEU A 64 10.880 -4.601 -0.207 1.00 0.00 C ATOM 0 H LEU A 64 7.230 -6.108 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 64 9.948 -7.101 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.803 -6.240 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.376 -6.966 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 64 10.983 -4.942 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.951 -2.789 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.941 -3.881 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.561 -3.616 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.342 -3.614 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.100 -4.630 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.635 -5.354 0.019 1.00 0.00 H new ATOM 609 N ASN A 65 9.247 -9.236 -1.888 1.00 0.00 N ATOM 610 CA ASN A 65 9.067 -10.690 -1.625 1.00 0.00 C ATOM 611 C ASN A 65 7.774 -11.162 -0.900 1.00 0.00 C ATOM 612 O ASN A 65 7.822 -12.006 0.002 1.00 0.00 O ATOM 613 CB ASN A 65 10.286 -11.166 -0.816 1.00 0.00 C ATOM 614 CG ASN A 65 11.614 -10.570 -1.237 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.209 -10.947 -2.237 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.075 -9.567 -0.528 1.00 0.00 N ATOM 0 H ASN A 65 10.145 -8.934 -1.509 1.00 0.00 H new ATOM 0 HA ASN A 65 8.967 -11.133 -2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.118 -10.932 0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.352 -12.251 -0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.935 -9.096 -0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.573 -9.258 0.305 1.00 0.00 H new ATOM 623 N GLY A 66 6.623 -10.597 -1.225 1.00 0.00 N ATOM 624 CA GLY A 66 5.362 -10.722 -0.503 1.00 0.00 C ATOM 625 C GLY A 66 4.867 -9.373 0.026 1.00 0.00 C ATOM 626 O GLY A 66 3.890 -9.329 0.774 1.00 0.00 O ATOM 0 H GLY A 66 6.536 -10.002 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.608 -11.151 -1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.488 -11.414 0.330 1.00 0.00 H new ATOM 630 N PHE A 67 5.540 -8.270 -0.328 1.00 0.00 N ATOM 631 CA PHE A 67 5.300 -6.948 0.255 1.00 0.00 C ATOM 632 C PHE A 67 5.123 -5.887 -0.825 1.00 0.00 C ATOM 633 O PHE A 67 5.754 -5.922 -1.882 1.00 0.00 O ATOM 634 CB PHE A 67 6.441 -6.557 1.212 1.00 0.00 C ATOM 635 CG PHE A 67 6.902 -7.642 2.167 1.00 0.00 C ATOM 636 CD1 PHE A 67 7.927 -8.537 1.796 1.00 0.00 C ATOM 637 CD2 PHE A 67 6.298 -7.760 3.430 1.00 0.00 C ATOM 638 CE1 PHE A 67 8.300 -9.577 2.668 1.00 0.00 C ATOM 639 CE2 PHE A 67 6.679 -8.792 4.307 1.00 0.00 C ATOM 640 CZ PHE A 67 7.673 -9.708 3.919 1.00 0.00 C ATOM 0 H PHE A 67 6.274 -8.273 -1.036 1.00 0.00 H new ATOM 0 HA PHE A 67 4.373 -7.004 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.296 -6.236 0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.120 -5.696 1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.425 -8.424 0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.537 -7.055 3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.070 -10.276 2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.209 -8.881 5.276 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.955 -10.512 4.582 1.00 0.00 H new ATOM 650 N ALA A 68 4.291 -4.907 -0.528 1.00 0.00 N ATOM 651 CA ALA A 68 3.987 -3.747 -1.350 1.00 0.00 C ATOM 652 C ALA A 68 3.992 -2.510 -0.459 1.00 0.00 C ATOM 653 O ALA A 68 3.427 -2.507 0.633 1.00 0.00 O ATOM 654 CB ALA A 68 2.644 -3.955 -2.030 1.00 0.00 C ATOM 0 H ALA A 68 3.775 -4.898 0.352 1.00 0.00 H new ATOM 0 HA ALA A 68 4.734 -3.610 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.411 -3.088 -2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.687 -4.846 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.869 -4.081 -1.274 1.00 0.00 H new ATOM 660 N PHE A 69 4.629 -1.459 -0.959 1.00 0.00 N ATOM 661 CA PHE A 69 4.720 -0.163 -0.309 1.00 0.00 C ATOM 662 C PHE A 69 4.257 0.842 -1.347 1.00 0.00 C ATOM 663 O PHE A 69 5.023 1.376 -2.149 1.00 0.00 O ATOM 664 CB PHE A 69 6.109 0.158 0.271 1.00 0.00 C ATOM 665 CG PHE A 69 6.800 -0.975 1.002 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.227 -2.092 0.265 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.043 -0.920 2.390 1.00 0.00 C ATOM 668 CE1 PHE A 69 7.823 -3.177 0.910 1.00 0.00 C ATOM 669 CE2 PHE A 69 7.755 -1.971 3.016 1.00 0.00 C ATOM 670 CZ PHE A 69 8.139 -3.106 2.266 1.00 0.00 C ATOM 0 H PHE A 69 5.111 -1.489 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 69 4.090 -0.138 0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.755 0.486 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.009 0.999 0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.093 -2.111 -0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.688 -0.082 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.041 -4.077 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.004 -1.906 4.065 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.675 -3.914 2.741 1.00 0.00 H new ATOM 680 N VAL A 70 2.941 0.962 -1.406 1.00 0.00 N ATOM 681 CA VAL A 70 2.281 1.901 -2.304 1.00 0.00 C ATOM 682 C VAL A 70 2.422 3.294 -1.705 1.00 0.00 C ATOM 683 O VAL A 70 2.715 3.466 -0.522 1.00 0.00 O ATOM 684 CB VAL A 70 0.852 1.440 -2.625 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.303 1.939 -3.956 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.840 -0.050 -2.922 1.00 0.00 C ATOM 0 H VAL A 70 2.299 0.413 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 70 2.753 1.938 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 70 0.288 1.794 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.710 1.563 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.289 3.029 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.937 1.583 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.178 -0.368 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.483 -0.256 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.206 -0.597 -2.053 1.00 0.00 H new ATOM 696 N GLU A 71 2.251 4.310 -2.527 1.00 0.00 N ATOM 697 CA GLU A 71 2.592 5.677 -2.180 1.00 0.00 C ATOM 698 C GLU A 71 1.784 6.639 -3.039 1.00 0.00 C ATOM 699 O GLU A 71 1.505 6.368 -4.210 1.00 0.00 O ATOM 700 CB GLU A 71 4.091 5.848 -2.469 1.00 0.00 C ATOM 701 CG GLU A 71 4.617 7.204 -1.986 1.00 0.00 C ATOM 702 CD GLU A 71 6.145 7.335 -2.030 1.00 0.00 C ATOM 703 OE1 GLU A 71 6.862 6.438 -1.536 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.634 8.391 -2.487 1.00 0.00 O ATOM 0 H GLU A 71 1.867 4.209 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 71 2.371 5.887 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.648 5.048 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.267 5.751 -3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.178 7.991 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.278 7.370 -0.963 1.00 0.00 H new ATOM 711 N PHE A 72 1.493 7.803 -2.476 1.00 0.00 N ATOM 712 CA PHE A 72 0.840 8.891 -3.178 1.00 0.00 C ATOM 713 C PHE A 72 1.593 10.207 -3.031 1.00 0.00 C ATOM 714 O PHE A 72 2.299 10.463 -2.054 1.00 0.00 O ATOM 715 CB PHE A 72 -0.601 9.026 -2.675 1.00 0.00 C ATOM 716 CG PHE A 72 -1.440 7.764 -2.619 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.859 7.115 -3.794 1.00 0.00 C ATOM 718 CD2 PHE A 72 -1.874 7.280 -1.369 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.702 5.989 -3.724 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.738 6.178 -1.307 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.137 5.522 -2.475 1.00 0.00 C ATOM 0 H PHE A 72 1.709 8.018 -1.503 1.00 0.00 H new ATOM 0 HA PHE A 72 0.835 8.655 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.570 9.455 -1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.115 9.745 -3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.532 7.482 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.541 7.758 -0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.012 5.487 -4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.098 5.833 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.780 4.656 -2.416 1.00 0.00 H new ATOM 731 N GLU A 73 1.415 11.056 -4.035 1.00 0.00 N ATOM 732 CA GLU A 73 1.847 12.448 -4.013 1.00 0.00 C ATOM 733 C GLU A 73 0.932 13.340 -3.133 1.00 0.00 C ATOM 734 O GLU A 73 1.279 14.480 -2.824 1.00 0.00 O ATOM 735 CB GLU A 73 1.947 12.960 -5.447 1.00 0.00 C ATOM 736 CG GLU A 73 0.601 13.067 -6.157 1.00 0.00 C ATOM 737 CD GLU A 73 0.100 11.815 -6.874 1.00 0.00 C ATOM 738 OE1 GLU A 73 -0.391 10.916 -6.153 1.00 0.00 O ATOM 739 OE2 GLU A 73 0.155 11.753 -8.127 1.00 0.00 O ATOM 0 H GLU A 73 0.956 10.790 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 73 2.831 12.501 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.423 13.941 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.596 12.294 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.149 13.361 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.665 13.874 -6.887 1.00 0.00 H new ATOM 746 N GLU A 74 -0.248 12.826 -2.755 1.00 0.00 N ATOM 747 CA GLU A 74 -1.353 13.558 -2.118 1.00 0.00 C ATOM 748 C GLU A 74 -1.993 12.800 -0.936 1.00 0.00 C ATOM 749 O GLU A 74 -2.097 11.570 -0.925 1.00 0.00 O ATOM 750 CB GLU A 74 -2.421 13.882 -3.187 1.00 0.00 C ATOM 751 CG GLU A 74 -2.893 12.667 -4.012 1.00 0.00 C ATOM 752 CD GLU A 74 -4.401 12.723 -4.274 1.00 0.00 C ATOM 753 OE1 GLU A 74 -5.166 12.466 -3.325 1.00 0.00 O ATOM 754 OE2 GLU A 74 -4.826 13.017 -5.419 1.00 0.00 O ATOM 0 H GLU A 74 -0.468 11.840 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.937 14.473 -1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.285 14.328 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.019 14.633 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.358 12.639 -4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.648 11.747 -3.481 1.00 0.00 H new ATOM 761 N ALA A 75 -2.441 13.548 0.073 1.00 0.00 N ATOM 762 CA ALA A 75 -2.993 13.000 1.318 1.00 0.00 C ATOM 763 C ALA A 75 -4.427 12.454 1.190 1.00 0.00 C ATOM 764 O ALA A 75 -4.814 11.586 1.974 1.00 0.00 O ATOM 765 CB ALA A 75 -2.923 14.086 2.398 1.00 0.00 C ATOM 0 H ALA A 75 -2.432 14.568 0.050 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.387 12.135 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.329 13.697 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.885 14.382 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.505 14.952 2.082 1.00 0.00 H new ATOM 771 N GLU A 76 -5.222 12.919 0.224 1.00 0.00 N ATOM 772 CA GLU A 76 -6.622 12.487 0.087 1.00 0.00 C ATOM 773 C GLU A 76 -6.719 11.028 -0.388 1.00 0.00 C ATOM 774 O GLU A 76 -7.547 10.272 0.123 1.00 0.00 O ATOM 775 CB GLU A 76 -7.432 13.416 -0.831 1.00 0.00 C ATOM 776 CG GLU A 76 -7.259 14.917 -0.556 1.00 0.00 C ATOM 777 CD GLU A 76 -7.588 15.310 0.894 1.00 0.00 C ATOM 778 OE1 GLU A 76 -8.761 15.175 1.320 1.00 0.00 O ATOM 779 OE2 GLU A 76 -6.680 15.783 1.624 1.00 0.00 O ATOM 0 H GLU A 76 -4.923 13.596 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.064 12.549 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.149 13.217 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.488 13.164 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.232 15.204 -0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.902 15.480 -1.233 1.00 0.00 H new ATOM 786 N SER A 77 -5.841 10.590 -1.298 1.00 0.00 N ATOM 787 CA SER A 77 -5.730 9.174 -1.667 1.00 0.00 C ATOM 788 C SER A 77 -5.245 8.305 -0.513 1.00 0.00 C ATOM 789 O SER A 77 -5.714 7.183 -0.370 1.00 0.00 O ATOM 790 CB SER A 77 -4.874 8.932 -2.908 1.00 0.00 C ATOM 791 OG SER A 77 -5.192 7.663 -3.440 1.00 0.00 O ATOM 0 H SER A 77 -5.193 11.201 -1.795 1.00 0.00 H new ATOM 0 HA SER A 77 -6.748 8.875 -1.915 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.057 9.709 -3.650 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.816 8.979 -2.652 1.00 0.00 H new ATOM 0 HG SER A 77 -4.471 7.032 -3.235 1.00 0.00 H new ATOM 797 N ALA A 78 -4.368 8.809 0.348 1.00 0.00 N ATOM 798 CA ALA A 78 -3.942 8.055 1.519 1.00 0.00 C ATOM 799 C ALA A 78 -5.072 7.899 2.537 1.00 0.00 C ATOM 800 O ALA A 78 -5.389 6.773 2.924 1.00 0.00 O ATOM 801 CB ALA A 78 -2.706 8.719 2.100 1.00 0.00 C ATOM 0 H ALA A 78 -3.941 9.731 0.258 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.682 7.037 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.375 8.165 2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.911 8.725 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.944 9.744 2.385 1.00 0.00 H new ATOM 807 N ALA A 79 -5.740 8.998 2.912 1.00 0.00 N ATOM 808 CA ALA A 79 -6.918 8.998 3.773 1.00 0.00 C ATOM 809 C ALA A 79 -8.011 8.053 3.256 1.00 0.00 C ATOM 810 O ALA A 79 -8.518 7.209 4.001 1.00 0.00 O ATOM 811 CB ALA A 79 -7.420 10.440 3.916 1.00 0.00 C ATOM 0 H ALA A 79 -5.464 9.934 2.614 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.644 8.615 4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.301 10.457 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.637 11.056 4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.679 10.834 2.933 1.00 0.00 H new ATOM 817 N LYS A 80 -8.336 8.130 1.949 1.00 0.00 N ATOM 818 CA LYS A 80 -9.325 7.220 1.374 1.00 0.00 C ATOM 819 C LYS A 80 -8.829 5.787 1.311 1.00 0.00 C ATOM 820 O LYS A 80 -9.587 4.899 1.662 1.00 0.00 O ATOM 821 CB LYS A 80 -9.879 7.726 0.030 1.00 0.00 C ATOM 822 CG LYS A 80 -9.155 7.277 -1.238 1.00 0.00 C ATOM 823 CD LYS A 80 -9.762 7.998 -2.461 1.00 0.00 C ATOM 824 CE LYS A 80 -8.926 9.176 -2.994 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.624 9.894 -4.090 1.00 0.00 N ATOM 0 H LYS A 80 -7.934 8.799 1.292 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.172 7.211 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.920 7.411 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.876 8.816 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.091 7.502 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.245 6.197 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.896 7.273 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.753 8.365 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.716 9.870 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.966 8.807 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.134 10.790 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.622 9.305 -4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.605 10.090 -3.807 1.00 0.00 H new ATOM 839 N ALA A 81 -7.568 5.552 0.954 1.00 0.00 N ATOM 840 CA ALA A 81 -6.989 4.211 0.950 1.00 0.00 C ATOM 841 C ALA A 81 -7.119 3.572 2.349 1.00 0.00 C ATOM 842 O ALA A 81 -7.595 2.443 2.474 1.00 0.00 O ATOM 843 CB ALA A 81 -5.531 4.250 0.483 1.00 0.00 C ATOM 0 H ALA A 81 -6.921 6.284 0.660 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.541 3.591 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.120 3.240 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.483 4.656 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.950 4.881 1.156 1.00 0.00 H new ATOM 849 N ILE A 82 -6.786 4.313 3.423 1.00 0.00 N ATOM 850 CA ILE A 82 -6.987 3.868 4.810 1.00 0.00 C ATOM 851 C ILE A 82 -8.446 3.455 5.031 1.00 0.00 C ATOM 852 O ILE A 82 -8.732 2.305 5.371 1.00 0.00 O ATOM 853 CB ILE A 82 -6.563 4.947 5.839 1.00 0.00 C ATOM 854 CG1 ILE A 82 -5.043 5.218 5.853 1.00 0.00 C ATOM 855 CG2 ILE A 82 -6.977 4.589 7.277 1.00 0.00 C ATOM 856 CD1 ILE A 82 -4.765 6.699 6.089 1.00 0.00 C ATOM 0 H ILE A 82 -6.368 5.241 3.350 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.344 3.003 4.970 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.088 5.842 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.569 4.624 6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.604 4.906 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.655 5.379 7.956 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.061 4.486 7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.509 3.648 7.567 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.689 6.871 6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.221 7.286 5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.186 7.000 7.048 1.00 0.00 H new ATOM 868 N GLU A 83 -9.386 4.366 4.784 1.00 0.00 N ATOM 869 CA GLU A 83 -10.809 4.089 5.011 1.00 0.00 C ATOM 870 C GLU A 83 -11.380 2.982 4.085 1.00 0.00 C ATOM 871 O GLU A 83 -12.322 2.287 4.475 1.00 0.00 O ATOM 872 CB GLU A 83 -11.600 5.400 4.915 1.00 0.00 C ATOM 873 CG GLU A 83 -11.233 6.396 6.032 1.00 0.00 C ATOM 874 CD GLU A 83 -11.644 5.901 7.431 1.00 0.00 C ATOM 875 OE1 GLU A 83 -12.836 6.025 7.800 1.00 0.00 O ATOM 876 OE2 GLU A 83 -10.780 5.394 8.182 1.00 0.00 O ATOM 0 H GLU A 83 -9.191 5.302 4.427 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.916 3.681 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.414 5.862 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.667 5.181 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.158 6.573 6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.717 7.352 5.833 1.00 0.00 H new ATOM 883 N GLU A 84 -10.771 2.743 2.923 1.00 0.00 N ATOM 884 CA GLU A 84 -11.184 1.746 1.918 1.00 0.00 C ATOM 885 C GLU A 84 -10.678 0.333 2.234 1.00 0.00 C ATOM 886 O GLU A 84 -11.381 -0.640 1.959 1.00 0.00 O ATOM 887 CB GLU A 84 -10.614 2.100 0.526 1.00 0.00 C ATOM 888 CG GLU A 84 -11.320 3.233 -0.228 1.00 0.00 C ATOM 889 CD GLU A 84 -12.570 2.741 -0.984 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.589 2.403 -0.336 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.551 2.704 -2.234 1.00 0.00 O ATOM 0 H GLU A 84 -9.939 3.259 2.638 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.274 1.764 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.564 2.370 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.645 1.204 -0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.608 4.012 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.624 3.685 -0.935 1.00 0.00 H new ATOM 898 N VAL A 85 -9.467 0.201 2.804 1.00 0.00 N ATOM 899 CA VAL A 85 -8.777 -1.102 2.884 1.00 0.00 C ATOM 900 C VAL A 85 -7.821 -1.295 4.075 1.00 0.00 C ATOM 901 O VAL A 85 -7.445 -2.428 4.359 1.00 0.00 O ATOM 902 CB VAL A 85 -8.128 -1.390 1.507 1.00 0.00 C ATOM 903 CG1 VAL A 85 -7.068 -0.362 1.106 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.546 -2.794 1.371 1.00 0.00 C ATOM 0 H VAL A 85 -8.947 0.976 3.215 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.532 -1.855 3.107 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.968 -1.310 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.656 -0.625 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.523 0.627 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.270 -0.354 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.112 -2.913 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.773 -2.942 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.337 -3.531 1.512 1.00 0.00 H new ATOM 914 N HIS A 86 -7.498 -0.278 4.883 1.00 0.00 N ATOM 915 CA HIS A 86 -6.771 -0.505 6.151 1.00 0.00 C ATOM 916 C HIS A 86 -7.579 -1.368 7.135 1.00 0.00 C ATOM 917 O HIS A 86 -8.633 -0.948 7.618 1.00 0.00 O ATOM 918 CB HIS A 86 -6.396 0.811 6.841 1.00 0.00 C ATOM 919 CG HIS A 86 -5.444 0.631 8.005 1.00 0.00 C ATOM 920 ND1 HIS A 86 -4.123 1.008 8.031 1.00 0.00 N ATOM 921 CD2 HIS A 86 -5.714 0.077 9.236 1.00 0.00 C ATOM 922 CE1 HIS A 86 -3.597 0.673 9.218 1.00 0.00 C ATOM 923 NE2 HIS A 86 -4.534 0.096 9.990 1.00 0.00 N ATOM 0 H HIS A 86 -7.722 0.699 4.691 1.00 0.00 H new ATOM 0 HA HIS A 86 -5.860 -1.037 5.876 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.941 1.479 6.110 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -7.304 1.298 7.196 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -3.623 1.468 7.270 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -6.669 -0.306 9.563 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -2.571 0.842 9.511 1.00 0.00 H new ATOM 931 N GLY A 87 -7.082 -2.566 7.443 1.00 0.00 N ATOM 932 CA GLY A 87 -7.610 -3.431 8.505 1.00 0.00 C ATOM 933 C GLY A 87 -8.589 -4.476 7.975 1.00 0.00 C ATOM 934 O GLY A 87 -9.126 -5.289 8.725 1.00 0.00 O ATOM 0 H GLY A 87 -6.285 -2.973 6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.782 -3.934 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.109 -2.817 9.255 1.00 0.00 H new ATOM 938 N LYS A 88 -8.811 -4.446 6.659 1.00 0.00 N ATOM 939 CA LYS A 88 -9.613 -5.379 5.881 1.00 0.00 C ATOM 940 C LYS A 88 -8.743 -6.579 5.533 1.00 0.00 C ATOM 941 O LYS A 88 -7.580 -6.410 5.177 1.00 0.00 O ATOM 942 CB LYS A 88 -10.022 -4.666 4.593 1.00 0.00 C ATOM 943 CG LYS A 88 -11.180 -3.658 4.721 1.00 0.00 C ATOM 944 CD LYS A 88 -10.869 -2.458 5.638 1.00 0.00 C ATOM 945 CE LYS A 88 -11.711 -1.234 5.279 1.00 0.00 C ATOM 946 NZ LYS A 88 -11.244 -0.008 5.984 1.00 0.00 N ATOM 0 H LYS A 88 -8.405 -3.717 6.073 1.00 0.00 H new ATOM 0 HA LYS A 88 -10.493 -5.708 6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.152 -4.142 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.301 -5.419 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.436 -3.287 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.059 -4.177 5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.056 -2.736 6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.811 -2.206 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.671 -1.070 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.754 -1.424 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.607 0.834 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.594 -0.016 6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.204 0.015 5.989 1.00 0.00 H new ATOM 960 N SER A 89 -9.299 -7.777 5.642 1.00 0.00 N ATOM 961 CA SER A 89 -8.573 -9.050 5.528 1.00 0.00 C ATOM 962 C SER A 89 -8.393 -9.480 4.063 1.00 0.00 C ATOM 963 O SER A 89 -9.301 -10.082 3.477 1.00 0.00 O ATOM 964 CB SER A 89 -9.260 -10.135 6.368 1.00 0.00 C ATOM 965 OG SER A 89 -10.655 -10.206 6.116 1.00 0.00 O ATOM 0 H SER A 89 -10.296 -7.902 5.817 1.00 0.00 H new ATOM 0 HA SER A 89 -7.569 -8.903 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.804 -11.101 6.153 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.094 -9.933 7.426 1.00 0.00 H new ATOM 0 HG SER A 89 -10.814 -10.194 5.149 1.00 0.00 H new ATOM 971 N PHE A 90 -7.233 -9.199 3.445 1.00 0.00 N ATOM 972 CA PHE A 90 -6.915 -9.751 2.122 1.00 0.00 C ATOM 973 C PHE A 90 -6.160 -11.091 2.221 1.00 0.00 C ATOM 974 O PHE A 90 -5.319 -11.270 3.103 1.00 0.00 O ATOM 975 CB PHE A 90 -6.172 -8.692 1.309 1.00 0.00 C ATOM 976 CG PHE A 90 -6.264 -8.952 -0.169 1.00 0.00 C ATOM 977 CD1 PHE A 90 -5.519 -9.980 -0.780 1.00 0.00 C ATOM 978 CD2 PHE A 90 -7.214 -8.237 -0.931 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.739 -10.309 -2.127 1.00 0.00 C ATOM 980 CE2 PHE A 90 -7.421 -8.554 -2.282 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.695 -9.601 -2.875 1.00 0.00 C ATOM 0 H PHE A 90 -6.508 -8.599 3.838 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.838 -9.994 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.585 -7.708 1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.124 -8.673 1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.776 -10.517 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.784 -7.443 -0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.174 -11.106 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -8.137 -7.994 -2.865 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.872 -9.862 -3.908 1.00 0.00 H new ATOM 991 N ALA A 91 -6.445 -12.031 1.314 1.00 0.00 N ATOM 992 CA ALA A 91 -5.937 -13.413 1.237 1.00 0.00 C ATOM 993 C ALA A 91 -6.129 -14.275 2.514 1.00 0.00 C ATOM 994 O ALA A 91 -6.864 -15.265 2.479 1.00 0.00 O ATOM 995 CB ALA A 91 -4.480 -13.395 0.745 1.00 0.00 C ATOM 0 H ALA A 91 -7.090 -11.833 0.549 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.565 -13.929 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.103 -14.416 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.435 -12.935 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.868 -12.821 1.441 1.00 0.00 H new ATOM 1001 N ASN A 92 -5.504 -13.901 3.639 1.00 0.00 N ATOM 1002 CA ASN A 92 -5.627 -14.542 4.949 1.00 0.00 C ATOM 1003 C ASN A 92 -5.396 -13.590 6.154 1.00 0.00 C ATOM 1004 O ASN A 92 -5.464 -14.049 7.293 1.00 0.00 O ATOM 1005 CB ASN A 92 -4.678 -15.761 4.998 1.00 0.00 C ATOM 1006 CG ASN A 92 -3.202 -15.419 4.850 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -2.607 -15.576 3.794 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -2.553 -14.955 5.900 1.00 0.00 N ATOM 0 H ASN A 92 -4.868 -13.104 3.657 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.663 -14.863 5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.824 -16.281 5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.958 -16.456 4.206 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -1.561 -14.730 5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.043 -14.821 6.784 1.00 0.00 H new ATOM 1015 N GLN A 93 -5.086 -12.303 5.938 1.00 0.00 N ATOM 1016 CA GLN A 93 -4.724 -11.344 7.001 1.00 0.00 C ATOM 1017 C GLN A 93 -4.914 -9.878 6.545 1.00 0.00 C ATOM 1018 O GLN A 93 -5.073 -9.609 5.349 1.00 0.00 O ATOM 1019 CB GLN A 93 -3.290 -11.645 7.511 1.00 0.00 C ATOM 1020 CG GLN A 93 -2.194 -11.534 6.442 1.00 0.00 C ATOM 1021 CD GLN A 93 -0.812 -11.967 6.930 1.00 0.00 C ATOM 1022 OE1 GLN A 93 -0.379 -11.657 8.029 1.00 0.00 O ATOM 1023 NE2 GLN A 93 -0.050 -12.679 6.124 1.00 0.00 N ATOM 0 H GLN A 93 -5.079 -11.889 5.006 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.406 -11.472 7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.056 -10.958 8.324 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.271 -12.652 7.929 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.474 -12.144 5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.140 -10.502 6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.394 -12.948 5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.884 -12.961 6.422 1.00 0.00 H new ATOM 1032 N PRO A 94 -4.973 -8.900 7.472 1.00 0.00 N ATOM 1033 CA PRO A 94 -5.274 -7.524 7.093 1.00 0.00 C ATOM 1034 C PRO A 94 -4.103 -6.708 6.545 1.00 0.00 C ATOM 1035 O PRO A 94 -2.934 -6.901 6.889 1.00 0.00 O ATOM 1036 CB PRO A 94 -5.851 -6.869 8.354 1.00 0.00 C ATOM 1037 CG PRO A 94 -5.184 -7.661 9.480 1.00 0.00 C ATOM 1038 CD PRO A 94 -5.131 -9.069 8.908 1.00 0.00 C ATOM 0 HA PRO A 94 -5.967 -7.544 6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.608 -5.808 8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.937 -6.949 8.391 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.189 -7.279 9.710 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.763 -7.620 10.403 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.299 -9.633 9.330 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.042 -9.621 9.140 1.00 0.00 H new ATOM 1046 N LEU A 95 -4.477 -5.739 5.715 1.00 0.00 N ATOM 1047 CA LEU A 95 -3.634 -4.667 5.203 1.00 0.00 C ATOM 1048 C LEU A 95 -3.300 -3.615 6.279 1.00 0.00 C ATOM 1049 O LEU A 95 -4.045 -3.424 7.238 1.00 0.00 O ATOM 1050 CB LEU A 95 -4.401 -3.986 4.060 1.00 0.00 C ATOM 1051 CG LEU A 95 -4.624 -4.748 2.737 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -3.450 -5.608 2.319 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -5.894 -5.562 2.742 1.00 0.00 C ATOM 0 H LEU A 95 -5.432 -5.679 5.362 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.689 -5.095 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.381 -3.706 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.877 -3.061 3.820 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.724 -3.962 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.683 -6.111 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.569 -4.981 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.251 -6.352 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.000 -6.077 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.853 -6.296 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.748 -4.903 2.896 1.00 0.00 H new ATOM 1065 N GLU A 96 -2.219 -2.865 6.056 1.00 0.00 N ATOM 1066 CA GLU A 96 -1.654 -1.856 6.963 1.00 0.00 C ATOM 1067 C GLU A 96 -1.299 -0.589 6.137 1.00 0.00 C ATOM 1068 O GLU A 96 -0.186 -0.072 6.062 1.00 0.00 O ATOM 1069 CB GLU A 96 -0.526 -2.552 7.735 1.00 0.00 C ATOM 1070 CG GLU A 96 0.122 -1.735 8.854 1.00 0.00 C ATOM 1071 CD GLU A 96 1.140 -2.570 9.670 1.00 0.00 C ATOM 1072 OE1 GLU A 96 1.175 -3.823 9.553 1.00 0.00 O ATOM 1073 OE2 GLU A 96 1.910 -1.970 10.453 1.00 0.00 O ATOM 0 H GLU A 96 -1.683 -2.947 5.192 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.336 -1.474 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.921 -3.472 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.250 -2.839 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.625 -0.869 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.652 -1.356 9.521 1.00 0.00 H new ATOM 1080 N VAL A 97 -2.319 -0.147 5.412 1.00 0.00 N ATOM 1081 CA VAL A 97 -2.369 0.953 4.432 1.00 0.00 C ATOM 1082 C VAL A 97 -2.320 2.267 5.197 1.00 0.00 C ATOM 1083 O VAL A 97 -3.306 2.567 5.876 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.737 0.811 3.747 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -4.205 1.956 2.859 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.782 -0.476 2.906 1.00 0.00 C ATOM 0 H VAL A 97 -3.233 -0.592 5.499 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.549 0.928 3.714 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.423 0.802 4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.184 1.718 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.274 2.870 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.492 2.102 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.757 -0.563 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.004 -0.439 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.616 -1.338 3.552 1.00 0.00 H new ATOM 1096 N VAL A 98 -1.219 3.036 5.201 1.00 0.00 N ATOM 1097 CA VAL A 98 -1.085 4.062 6.248 1.00 0.00 C ATOM 1098 C VAL A 98 -0.124 5.234 5.925 1.00 0.00 C ATOM 1099 O VAL A 98 -0.277 5.954 4.936 1.00 0.00 O ATOM 1100 CB VAL A 98 -0.827 3.236 7.550 1.00 0.00 C ATOM 1101 CG1 VAL A 98 0.593 2.729 7.904 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -1.699 3.823 8.646 1.00 0.00 C ATOM 0 H VAL A 98 -0.450 2.976 4.534 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.983 4.669 6.360 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.137 2.211 7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.559 2.179 8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.953 2.072 7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.268 3.579 8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.543 3.268 9.571 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.434 4.869 8.801 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.747 3.754 8.354 1.00 0.00 H new ATOM 1112 N TYR A 99 0.886 5.421 6.776 1.00 0.00 N ATOM 1113 CA TYR A 99 2.022 6.342 6.657 1.00 0.00 C ATOM 1114 C TYR A 99 3.323 5.513 6.568 1.00 0.00 C ATOM 1115 O TYR A 99 4.303 5.740 7.265 1.00 0.00 O ATOM 1116 CB TYR A 99 1.989 7.284 7.880 1.00 0.00 C ATOM 1117 CG TYR A 99 0.672 8.002 8.158 1.00 0.00 C ATOM 1118 CD1 TYR A 99 -0.227 8.327 7.124 1.00 0.00 C ATOM 1119 CD2 TYR A 99 0.323 8.311 9.491 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -1.470 8.919 7.401 1.00 0.00 C ATOM 1121 CE2 TYR A 99 -0.913 8.924 9.777 1.00 0.00 C ATOM 1122 CZ TYR A 99 -1.818 9.224 8.740 1.00 0.00 C ATOM 1123 OH TYR A 99 -3.021 9.801 9.006 1.00 0.00 O ATOM 0 H TYR A 99 0.936 4.886 7.643 1.00 0.00 H new ATOM 0 HA TYR A 99 1.971 6.954 5.756 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.253 6.703 8.764 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.766 8.037 7.750 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.044 8.117 6.100 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.006 8.077 10.294 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.157 9.141 6.598 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.168 9.166 10.798 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.108 9.945 9.971 1.00 0.00 H new ATOM 1133 N SER A 100 3.279 4.471 5.738 1.00 0.00 N ATOM 1134 CA SER A 100 4.257 3.378 5.644 1.00 0.00 C ATOM 1135 C SER A 100 5.743 3.752 5.541 1.00 0.00 C ATOM 1136 O SER A 100 6.180 4.284 4.528 1.00 0.00 O ATOM 1137 CB SER A 100 3.890 2.357 4.578 1.00 0.00 C ATOM 1138 OG SER A 100 2.568 1.976 4.869 1.00 0.00 O ATOM 0 H SER A 100 2.515 4.357 5.072 1.00 0.00 H new ATOM 0 HA SER A 100 4.171 2.933 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.965 2.787 3.579 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.562 1.499 4.607 1.00 0.00 H new ATOM 0 HG SER A 100 1.947 2.636 4.495 1.00 0.00 H new