USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 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 48 CYS SG : rot 160:sc= -1.66! USER MOD Set 1.2: A 85 SER OG : rot -88:sc= 0.218 USER MOD Set 1.3: A 86 CYS SG : rot 50:sc= 0.295 USER MOD Set 2.1: A 79 THR OG1 : rot 135:sc= -0.0275 USER MOD Set 2.2: A 82 THR OG1 : rot -81:sc= 0.206 USER MOD Set 3.1: A 68 ASN : amide:sc= -1.6 K(o=-1.9,f=-4.1!) USER MOD Set 3.2: A 72 GLN : amide:sc= -0.254 X(o=-1.9,f=-2.2) USER MOD Set 4.1: A 43 CYS SG : rot 180:sc= -0.0606 USER MOD Set 4.2: A 87 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.4!) USER MOD Set 5.1: A 39 CYS SG : rot -140:sc= 0.424 USER MOD Set 5.2: A 45 CYS SG : rot 130:sc= -0.731 USER MOD Set 6.1: A 18 GLN : amide:sc= 0.117 K(o=-3.8,f=-5.3) USER MOD Set 6.2: A 21 GLN : amide:sc= -3.87! C(o=-3.8!,f=-6.4!) USER MOD Single : A 9 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.081) USER MOD Single : A 10 SER OG : rot -126:sc= 0.857 USER MOD Single : A 13 TYR OH : rot -165:sc= -0.803 USER MOD Single : A 22 SER OG : rot 121:sc= 0.97 USER MOD Single : A 24 MET CE :methyl -158:sc= -11.3! (180deg=-12.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -32! C(o=-32!,f=-34!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 174:sc= 0.0211 USER MOD Single : A 64 ASN : amide:sc= -0.528 K(o=-0.53,f=-1.4) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -91:sc= 0.769 USER MOD Single : A 78 MET CE :methyl -164:sc= -0.0844 (180deg=-0.51) USER MOD Single : A 93 SER OG : rot -124:sc= 0.904 USER MOD Single : A 94 MET CE :methyl -160:sc= -9.48! (180deg=-10.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.370 13.916 -5.435 1.00 0.00 N ATOM 2 CA PRO A 1 4.832 13.987 -4.018 1.00 0.00 C ATOM 3 C PRO A 1 6.092 13.196 -3.765 1.00 0.00 C ATOM 4 O PRO A 1 6.804 12.794 -4.683 1.00 0.00 O ATOM 5 CB PRO A 1 3.722 13.393 -3.178 1.00 0.00 C ATOM 6 CG PRO A 1 2.547 13.579 -4.027 1.00 0.00 C ATOM 7 CD PRO A 1 3.055 13.235 -5.395 1.00 0.00 C ATOM 0 H2 PRO A 1 5.033 13.398 -6.011 1.00 0.00 H new ATOM 0 H3 PRO A 1 4.287 14.848 -5.840 1.00 0.00 H new ATOM 0 HA PRO A 1 5.056 15.025 -3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.900 12.341 -2.956 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.617 13.907 -2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.726 12.928 -3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.175 14.603 -3.981 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.152 12.158 -5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.388 13.597 -6.177 1.00 0.00 H new ATOM 17 N ARG A 2 6.313 12.950 -2.486 1.00 0.00 N ATOM 18 CA ARG A 2 7.448 12.163 -2.023 1.00 0.00 C ATOM 19 C ARG A 2 6.898 10.931 -1.336 1.00 0.00 C ATOM 20 O ARG A 2 5.710 10.900 -1.014 1.00 0.00 O ATOM 21 CB ARG A 2 8.312 12.970 -1.055 1.00 0.00 C ATOM 22 CG ARG A 2 9.243 12.114 -0.215 1.00 0.00 C ATOM 23 CD ARG A 2 10.311 12.957 0.460 1.00 0.00 C ATOM 24 NE ARG A 2 10.253 12.852 1.915 1.00 0.00 N ATOM 25 CZ ARG A 2 11.308 13.007 2.710 1.00 0.00 C ATOM 26 NH1 ARG A 2 12.505 13.254 2.192 1.00 0.00 N ATOM 27 NH2 ARG A 2 11.168 12.911 4.025 1.00 0.00 N ATOM 0 H ARG A 2 5.711 13.290 -1.736 1.00 0.00 H new ATOM 0 HA ARG A 2 8.080 11.884 -2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.904 13.688 -1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.663 13.544 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.667 11.580 0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.716 11.361 -0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.295 12.641 0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.189 14.000 0.167 1.00 0.00 H new ATOM 0 HE ARG A 2 9.352 12.648 2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.618 13.326 1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.312 13.372 2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.251 12.718 4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.977 13.030 4.634 1.00 0.00 H new ATOM 41 N VAL A 3 7.698 9.899 -1.120 1.00 0.00 N ATOM 42 CA VAL A 3 7.146 8.731 -0.494 1.00 0.00 C ATOM 43 C VAL A 3 8.203 7.845 0.123 1.00 0.00 C ATOM 44 O VAL A 3 9.392 7.970 -0.149 1.00 0.00 O ATOM 45 CB VAL A 3 6.289 7.976 -1.526 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.358 6.485 -1.422 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.865 8.367 -1.382 1.00 0.00 C ATOM 0 H VAL A 3 8.688 9.853 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 3 6.517 9.045 0.339 1.00 0.00 H new ATOM 0 HB VAL A 3 6.702 8.257 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.724 6.037 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.388 6.157 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.013 6.173 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.264 7.829 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.520 8.120 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.764 9.440 -1.547 1.00 0.00 H new ATOM 57 N VAL A 4 7.751 6.940 0.961 1.00 0.00 N ATOM 58 CA VAL A 4 8.664 6.024 1.606 1.00 0.00 C ATOM 59 C VAL A 4 8.009 4.702 1.905 1.00 0.00 C ATOM 60 O VAL A 4 7.191 4.580 2.806 1.00 0.00 O ATOM 61 CB VAL A 4 9.294 6.611 2.878 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.882 5.508 3.748 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.363 7.609 2.487 1.00 0.00 C ATOM 0 H VAL A 4 6.769 6.819 1.210 1.00 0.00 H new ATOM 0 HA VAL A 4 9.471 5.855 0.893 1.00 0.00 H new ATOM 0 HB VAL A 4 8.523 7.116 3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.323 5.947 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.094 4.812 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.651 4.975 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.814 8.030 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.130 7.108 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.916 8.409 1.897 1.00 0.00 H new ATOM 73 N PHE A 5 8.421 3.716 1.142 1.00 0.00 N ATOM 74 CA PHE A 5 7.934 2.355 1.275 1.00 0.00 C ATOM 75 C PHE A 5 8.816 1.596 2.245 1.00 0.00 C ATOM 76 O PHE A 5 9.860 2.097 2.651 1.00 0.00 O ATOM 77 CB PHE A 5 8.044 1.640 -0.054 1.00 0.00 C ATOM 78 CG PHE A 5 7.052 2.017 -1.118 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.510 3.300 -1.233 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.688 1.062 -2.046 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.628 3.594 -2.257 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.816 1.348 -3.061 1.00 0.00 C ATOM 83 CZ PHE A 5 5.283 2.615 -3.176 1.00 0.00 C ATOM 0 H PHE A 5 9.112 3.834 0.401 1.00 0.00 H new ATOM 0 HA PHE A 5 6.900 2.393 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.045 1.812 -0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.953 0.569 0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.781 4.065 -0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.101 0.067 -1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.208 4.586 -2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.545 0.582 -3.772 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.599 2.844 -3.980 1.00 0.00 H new ATOM 93 N ILE A 6 8.405 0.381 2.575 1.00 0.00 N ATOM 94 CA ILE A 6 9.142 -0.482 3.460 1.00 0.00 C ATOM 95 C ILE A 6 8.761 -1.933 3.219 1.00 0.00 C ATOM 96 O ILE A 6 7.734 -2.215 2.603 1.00 0.00 O ATOM 97 CB ILE A 6 8.831 -0.138 4.896 1.00 0.00 C ATOM 98 CG1 ILE A 6 9.279 1.283 5.193 1.00 0.00 C ATOM 99 CG2 ILE A 6 9.495 -1.136 5.810 1.00 0.00 C ATOM 100 CD1 ILE A 6 8.171 2.310 5.151 1.00 0.00 C ATOM 0 H ILE A 6 7.539 -0.030 2.227 1.00 0.00 H new ATOM 0 HA ILE A 6 10.205 -0.342 3.265 1.00 0.00 H new ATOM 0 HB ILE A 6 7.756 -0.190 5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 6 9.742 1.306 6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.048 1.566 4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.269 -0.886 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.123 -2.136 5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.574 -1.108 5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.580 3.295 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.722 2.320 4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.411 2.056 5.890 1.00 0.00 H new ATOM 112 N ASP A 7 9.585 -2.855 3.698 1.00 0.00 N ATOM 113 CA ASP A 7 9.302 -4.267 3.512 1.00 0.00 C ATOM 114 C ASP A 7 10.269 -5.141 4.306 1.00 0.00 C ATOM 115 O ASP A 7 10.972 -4.659 5.191 1.00 0.00 O ATOM 116 CB ASP A 7 9.364 -4.586 2.025 1.00 0.00 C ATOM 117 CG ASP A 7 8.446 -5.725 1.628 1.00 0.00 C ATOM 118 OD1 ASP A 7 8.197 -6.609 2.476 1.00 0.00 O ATOM 119 OD2 ASP A 7 7.977 -5.735 0.471 1.00 0.00 O ATOM 0 H ASP A 7 10.443 -2.653 4.211 1.00 0.00 H new ATOM 0 HA ASP A 7 8.303 -4.486 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.097 -3.695 1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.389 -4.841 1.756 1.00 0.00 H new ATOM 124 N GLU A 8 10.289 -6.431 3.993 1.00 0.00 N ATOM 125 CA GLU A 8 11.159 -7.374 4.686 1.00 0.00 C ATOM 126 C GLU A 8 12.421 -7.674 3.873 1.00 0.00 C ATOM 127 O GLU A 8 13.368 -8.271 4.384 1.00 0.00 O ATOM 128 CB GLU A 8 10.385 -8.666 4.998 1.00 0.00 C ATOM 129 CG GLU A 8 10.925 -9.917 4.314 1.00 0.00 C ATOM 130 CD GLU A 8 12.160 -10.470 4.998 1.00 0.00 C ATOM 131 OE1 GLU A 8 12.192 -10.485 6.247 1.00 0.00 O ATOM 132 OE2 GLU A 8 13.097 -10.888 4.284 1.00 0.00 O ATOM 0 H GLU A 8 9.712 -6.849 3.263 1.00 0.00 H new ATOM 0 HA GLU A 8 11.480 -6.920 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.393 -8.826 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.344 -8.529 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.149 -10.682 4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.163 -9.685 3.276 1.00 0.00 H new ATOM 139 N GLN A 9 12.428 -7.262 2.609 1.00 0.00 N ATOM 140 CA GLN A 9 13.576 -7.497 1.739 1.00 0.00 C ATOM 141 C GLN A 9 14.573 -6.344 1.820 1.00 0.00 C ATOM 142 O GLN A 9 15.538 -6.290 1.056 1.00 0.00 O ATOM 143 CB GLN A 9 13.117 -7.681 0.291 1.00 0.00 C ATOM 144 CG GLN A 9 12.832 -9.128 -0.078 1.00 0.00 C ATOM 145 CD GLN A 9 14.093 -9.969 -0.152 1.00 0.00 C ATOM 146 OE1 GLN A 9 14.253 -10.934 0.593 1.00 0.00 O ATOM 147 NE2 GLN A 9 14.995 -9.603 -1.057 1.00 0.00 N ATOM 0 H GLN A 9 11.655 -6.766 2.165 1.00 0.00 H new ATOM 0 HA GLN A 9 14.071 -8.407 2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.217 -7.089 0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 9 13.884 -7.289 -0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.154 -9.560 0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.321 -9.160 -1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.820 -8.795 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 9 15.863 -10.130 -1.154 1.00 0.00 H new ATOM 156 N SER A 10 14.335 -5.427 2.749 1.00 0.00 N ATOM 157 CA SER A 10 15.213 -4.274 2.930 1.00 0.00 C ATOM 158 C SER A 10 14.852 -3.497 4.195 1.00 0.00 C ATOM 159 O SER A 10 15.717 -2.895 4.832 1.00 0.00 O ATOM 160 CB SER A 10 15.134 -3.352 1.711 1.00 0.00 C ATOM 161 OG SER A 10 14.949 -2.003 2.102 1.00 0.00 O ATOM 0 H SER A 10 13.542 -5.458 3.390 1.00 0.00 H new ATOM 0 HA SER A 10 16.233 -4.643 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.048 -3.441 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.311 -3.664 1.068 1.00 0.00 H new ATOM 0 HG SER A 10 14.162 -1.636 1.648 1.00 0.00 H new ATOM 167 N GLY A 11 13.570 -3.506 4.548 1.00 0.00 N ATOM 168 CA GLY A 11 13.116 -2.795 5.726 1.00 0.00 C ATOM 169 C GLY A 11 12.916 -1.321 5.461 1.00 0.00 C ATOM 170 O GLY A 11 12.857 -0.511 6.386 1.00 0.00 O ATOM 0 H GLY A 11 12.836 -3.996 4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.179 -3.231 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.843 -2.923 6.528 1.00 0.00 H new ATOM 174 N GLU A 12 12.798 -0.985 4.188 1.00 0.00 N ATOM 175 CA GLU A 12 12.586 0.391 3.768 1.00 0.00 C ATOM 176 C GLU A 12 12.760 0.531 2.270 1.00 0.00 C ATOM 177 O GLU A 12 13.627 -0.098 1.664 1.00 0.00 O ATOM 178 CB GLU A 12 13.539 1.343 4.478 1.00 0.00 C ATOM 179 CG GLU A 12 13.595 2.712 3.821 1.00 0.00 C ATOM 180 CD GLU A 12 14.421 3.708 4.611 1.00 0.00 C ATOM 181 OE1 GLU A 12 14.826 3.375 5.744 1.00 0.00 O ATOM 182 OE2 GLU A 12 14.662 4.820 4.097 1.00 0.00 O ATOM 0 H GLU A 12 12.846 -1.654 3.419 1.00 0.00 H new ATOM 0 HA GLU A 12 11.563 0.655 4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.228 1.455 5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.539 0.909 4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.014 2.613 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.582 3.097 3.706 1.00 0.00 H new ATOM 189 N TYR A 13 11.917 1.357 1.682 1.00 0.00 N ATOM 190 CA TYR A 13 11.947 1.595 0.256 1.00 0.00 C ATOM 191 C TYR A 13 11.555 3.033 -0.064 1.00 0.00 C ATOM 192 O TYR A 13 10.588 3.285 -0.785 1.00 0.00 O ATOM 193 CB TYR A 13 11.014 0.608 -0.416 1.00 0.00 C ATOM 194 CG TYR A 13 11.588 -0.775 -0.462 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.593 -1.578 0.673 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.128 -1.277 -1.631 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.123 -2.857 0.638 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.663 -2.544 -1.681 1.00 0.00 C ATOM 199 CZ TYR A 13 12.660 -3.337 -0.544 1.00 0.00 C ATOM 200 OH TYR A 13 13.195 -4.603 -0.591 1.00 0.00 O ATOM 0 H TYR A 13 11.195 1.879 2.179 1.00 0.00 H new ATOM 0 HA TYR A 13 12.959 1.451 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.064 0.587 0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.802 0.945 -1.431 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.178 -1.199 1.595 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.130 -0.664 -2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.117 -3.474 1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.084 -2.919 -2.602 1.00 0.00 H new ATOM 0 HH TYR A 13 13.737 -4.699 -1.402 1.00 0.00 H new ATOM 210 N ALA A 14 12.321 3.970 0.484 1.00 0.00 N ATOM 211 CA ALA A 14 12.079 5.394 0.274 1.00 0.00 C ATOM 212 C ALA A 14 11.842 5.696 -1.193 1.00 0.00 C ATOM 213 O ALA A 14 12.464 5.098 -2.070 1.00 0.00 O ATOM 214 CB ALA A 14 13.245 6.216 0.803 1.00 0.00 C ATOM 0 H ALA A 14 13.122 3.767 1.082 1.00 0.00 H new ATOM 0 HA ALA A 14 11.180 5.668 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.048 7.275 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.366 6.031 1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.158 5.931 0.280 1.00 0.00 H new ATOM 220 N VAL A 15 10.921 6.614 -1.457 1.00 0.00 N ATOM 221 CA VAL A 15 10.592 6.970 -2.820 1.00 0.00 C ATOM 222 C VAL A 15 9.765 8.240 -2.891 1.00 0.00 C ATOM 223 O VAL A 15 9.815 9.099 -2.013 1.00 0.00 O ATOM 224 CB VAL A 15 9.866 5.793 -3.505 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.409 5.669 -3.072 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.980 5.875 -5.020 1.00 0.00 C ATOM 0 H VAL A 15 10.394 7.120 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 15 11.521 7.172 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 15 10.372 4.886 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.948 4.825 -3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.362 5.509 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.875 6.584 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.458 5.031 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.533 6.806 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.031 5.847 -5.308 1.00 0.00 H new ATOM 236 N ASP A 16 9.032 8.353 -3.960 1.00 0.00 N ATOM 237 CA ASP A 16 8.194 9.482 -4.215 1.00 0.00 C ATOM 238 C ASP A 16 7.145 9.079 -5.200 1.00 0.00 C ATOM 239 O ASP A 16 7.286 8.083 -5.902 1.00 0.00 O ATOM 240 CB ASP A 16 8.975 10.610 -4.822 1.00 0.00 C ATOM 241 CG ASP A 16 10.371 10.748 -4.246 1.00 0.00 C ATOM 242 OD1 ASP A 16 11.236 9.909 -4.577 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.600 11.696 -3.465 1.00 0.00 O ATOM 0 H ASP A 16 9.001 7.645 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 16 7.762 9.811 -3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.047 10.456 -5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.432 11.543 -4.669 1.00 0.00 H new ATOM 248 N ALA A 17 6.101 9.840 -5.246 1.00 0.00 N ATOM 249 CA ALA A 17 5.024 9.541 -6.137 1.00 0.00 C ATOM 250 C ALA A 17 4.458 10.794 -6.779 1.00 0.00 C ATOM 251 O ALA A 17 4.977 11.892 -6.588 1.00 0.00 O ATOM 252 CB ALA A 17 3.992 8.820 -5.330 1.00 0.00 C ATOM 0 H ALA A 17 5.969 10.676 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 17 5.371 8.922 -6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.144 8.567 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.423 7.907 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.656 9.460 -4.514 1.00 0.00 H new ATOM 258 N GLN A 18 3.390 10.619 -7.539 1.00 0.00 N ATOM 259 CA GLN A 18 2.736 11.735 -8.213 1.00 0.00 C ATOM 260 C GLN A 18 1.221 11.573 -8.163 1.00 0.00 C ATOM 261 O GLN A 18 0.691 10.525 -8.529 1.00 0.00 O ATOM 262 CB GLN A 18 3.208 11.830 -9.664 1.00 0.00 C ATOM 263 CG GLN A 18 4.644 11.376 -9.867 1.00 0.00 C ATOM 264 CD GLN A 18 5.086 11.464 -11.315 1.00 0.00 C ATOM 265 OE1 GLN A 18 6.197 11.901 -11.611 1.00 0.00 O ATOM 266 NE2 GLN A 18 4.215 11.046 -12.226 1.00 0.00 N ATOM 0 H GLN A 18 2.954 9.712 -7.707 1.00 0.00 H new ATOM 0 HA GLN A 18 3.005 12.656 -7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.552 11.226 -10.291 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.110 12.862 -10.002 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.304 11.987 -9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.748 10.347 -9.521 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.304 10.691 -11.935 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.457 11.080 -13.216 1.00 0.00 H new ATOM 275 N ASP A 19 0.531 12.613 -7.697 1.00 0.00 N ATOM 276 CA ASP A 19 -0.923 12.575 -7.593 1.00 0.00 C ATOM 277 C ASP A 19 -1.527 11.775 -8.732 1.00 0.00 C ATOM 278 O ASP A 19 -1.461 12.168 -9.896 1.00 0.00 O ATOM 279 CB ASP A 19 -1.505 13.987 -7.552 1.00 0.00 C ATOM 280 CG ASP A 19 -0.799 14.876 -6.547 1.00 0.00 C ATOM 281 OD1 ASP A 19 0.019 14.353 -5.762 1.00 0.00 O ATOM 282 OD2 ASP A 19 -1.064 16.096 -6.546 1.00 0.00 O ATOM 0 H ASP A 19 0.955 13.488 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.180 12.077 -6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.433 14.435 -8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.565 13.933 -7.303 1.00 0.00 H new ATOM 287 N GLY A 20 -2.106 10.637 -8.374 1.00 0.00 N ATOM 288 CA GLY A 20 -2.709 9.767 -9.354 1.00 0.00 C ATOM 289 C GLY A 20 -2.082 8.387 -9.350 1.00 0.00 C ATOM 290 O GLY A 20 -2.508 7.508 -10.098 1.00 0.00 O ATOM 0 H GLY A 20 -2.167 10.302 -7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.777 9.681 -9.154 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.605 10.210 -10.345 1.00 0.00 H new ATOM 294 N GLN A 21 -1.072 8.185 -8.500 1.00 0.00 N ATOM 295 CA GLN A 21 -0.414 6.889 -8.415 1.00 0.00 C ATOM 296 C GLN A 21 -0.507 6.332 -7.006 1.00 0.00 C ATOM 297 O GLN A 21 -0.502 7.079 -6.028 1.00 0.00 O ATOM 298 CB GLN A 21 1.050 6.994 -8.834 1.00 0.00 C ATOM 299 CG GLN A 21 1.258 7.663 -10.181 1.00 0.00 C ATOM 300 CD GLN A 21 2.568 8.419 -10.262 1.00 0.00 C ATOM 301 OE1 GLN A 21 2.734 9.307 -11.097 1.00 0.00 O ATOM 302 NE2 GLN A 21 3.506 8.066 -9.394 1.00 0.00 N ATOM 0 H GLN A 21 -0.699 8.896 -7.870 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.925 6.210 -9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.596 7.553 -8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.481 5.993 -8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.230 6.907 -10.966 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.434 8.351 -10.372 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.323 7.323 -8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.411 8.537 -9.401 1.00 0.00 H new ATOM 311 N SER A 22 -0.596 5.016 -6.909 1.00 0.00 N ATOM 312 CA SER A 22 -0.699 4.359 -5.618 1.00 0.00 C ATOM 313 C SER A 22 0.669 3.909 -5.119 1.00 0.00 C ATOM 314 O SER A 22 1.690 4.171 -5.756 1.00 0.00 O ATOM 315 CB SER A 22 -1.638 3.158 -5.716 1.00 0.00 C ATOM 316 OG SER A 22 -0.943 2.000 -6.144 1.00 0.00 O ATOM 0 H SER A 22 -0.599 4.383 -7.708 1.00 0.00 H new ATOM 0 HA SER A 22 -1.103 5.077 -4.904 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.098 2.972 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.445 3.380 -6.414 1.00 0.00 H new ATOM 0 HG SER A 22 -1.023 1.300 -5.463 1.00 0.00 H new ATOM 322 N LEU A 23 0.680 3.222 -3.982 1.00 0.00 N ATOM 323 CA LEU A 23 1.926 2.723 -3.404 1.00 0.00 C ATOM 324 C LEU A 23 2.286 1.372 -4.000 1.00 0.00 C ATOM 325 O LEU A 23 3.189 0.687 -3.520 1.00 0.00 O ATOM 326 CB LEU A 23 1.806 2.604 -1.885 1.00 0.00 C ATOM 327 CG LEU A 23 1.648 3.930 -1.142 1.00 0.00 C ATOM 328 CD1 LEU A 23 2.565 4.987 -1.738 1.00 0.00 C ATOM 329 CD2 LEU A 23 0.199 4.391 -1.177 1.00 0.00 C ATOM 0 H LEU A 23 -0.156 2.998 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 23 2.717 3.435 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.950 1.970 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.692 2.095 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 23 1.933 3.779 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.439 5.925 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.601 4.657 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.313 5.137 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.105 5.337 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.115 4.526 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.433 3.641 -0.701 1.00 0.00 H new ATOM 341 N MET A 24 1.581 1.000 -5.060 1.00 0.00 N ATOM 342 CA MET A 24 1.829 -0.262 -5.737 1.00 0.00 C ATOM 343 C MET A 24 2.661 -0.015 -6.984 1.00 0.00 C ATOM 344 O MET A 24 3.406 -0.885 -7.435 1.00 0.00 O ATOM 345 CB MET A 24 0.508 -0.947 -6.102 1.00 0.00 C ATOM 346 CG MET A 24 -0.022 -0.571 -7.478 1.00 0.00 C ATOM 347 SD MET A 24 0.240 -1.869 -8.704 1.00 0.00 S ATOM 348 CE MET A 24 1.648 -1.213 -9.598 1.00 0.00 C ATOM 0 H MET A 24 0.831 1.557 -5.469 1.00 0.00 H new ATOM 0 HA MET A 24 2.378 -0.923 -5.066 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.646 -2.027 -6.060 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.241 -0.692 -5.353 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.088 -0.355 -7.406 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.466 0.344 -7.813 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.692 -1.664 -10.589 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.546 -0.132 -9.695 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.564 -1.443 -9.054 1.00 0.00 H new ATOM 358 N GLU A 25 2.527 1.188 -7.533 1.00 0.00 N ATOM 359 CA GLU A 25 3.267 1.564 -8.725 1.00 0.00 C ATOM 360 C GLU A 25 4.586 2.195 -8.362 1.00 0.00 C ATOM 361 O GLU A 25 5.603 1.900 -8.990 1.00 0.00 O ATOM 362 CB GLU A 25 2.445 2.506 -9.607 1.00 0.00 C ATOM 363 CG GLU A 25 0.945 2.364 -9.414 1.00 0.00 C ATOM 364 CD GLU A 25 0.150 3.038 -10.515 1.00 0.00 C ATOM 365 OE1 GLU A 25 0.034 2.448 -11.610 1.00 0.00 O ATOM 366 OE2 GLU A 25 -0.357 4.156 -10.283 1.00 0.00 O ATOM 0 H GLU A 25 1.913 1.916 -7.169 1.00 0.00 H new ATOM 0 HA GLU A 25 3.467 0.656 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.735 3.535 -9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.688 2.316 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.685 1.306 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.664 2.793 -8.452 1.00 0.00 H new ATOM 373 N VAL A 26 4.609 3.042 -7.339 1.00 0.00 N ATOM 374 CA VAL A 26 5.875 3.626 -6.964 1.00 0.00 C ATOM 375 C VAL A 26 6.877 2.506 -6.836 1.00 0.00 C ATOM 376 O VAL A 26 7.903 2.474 -7.499 1.00 0.00 O ATOM 377 CB VAL A 26 5.866 4.404 -5.643 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.705 5.628 -5.818 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.494 4.796 -5.195 1.00 0.00 C ATOM 0 H VAL A 26 3.803 3.325 -6.782 1.00 0.00 H new ATOM 0 HA VAL A 26 6.122 4.350 -7.741 1.00 0.00 H new ATOM 0 HB VAL A 26 6.265 3.749 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.714 6.199 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.724 5.337 -6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.290 6.242 -6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.561 5.343 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.031 5.430 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.888 3.901 -5.052 1.00 0.00 H new ATOM 389 N ALA A 27 6.525 1.577 -5.970 1.00 0.00 N ATOM 390 CA ALA A 27 7.339 0.406 -5.700 1.00 0.00 C ATOM 391 C ALA A 27 8.189 0.013 -6.892 1.00 0.00 C ATOM 392 O ALA A 27 9.403 0.215 -6.903 1.00 0.00 O ATOM 393 CB ALA A 27 6.461 -0.780 -5.330 1.00 0.00 C ATOM 0 H ALA A 27 5.661 1.612 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 27 7.995 0.670 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.088 -1.649 -5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.881 -0.539 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.784 -1.003 -6.155 1.00 0.00 H new ATOM 399 N THR A 28 7.538 -0.571 -7.888 1.00 0.00 N ATOM 400 CA THR A 28 8.234 -1.020 -9.080 1.00 0.00 C ATOM 401 C THR A 28 9.148 0.084 -9.589 1.00 0.00 C ATOM 402 O THR A 28 10.207 -0.182 -10.158 1.00 0.00 O ATOM 403 CB THR A 28 7.249 -1.440 -10.177 1.00 0.00 C ATOM 404 OG1 THR A 28 7.132 -0.428 -11.161 1.00 0.00 O ATOM 405 CG2 THR A 28 5.853 -1.750 -9.677 1.00 0.00 C ATOM 0 H THR A 28 6.533 -0.743 -7.892 1.00 0.00 H new ATOM 0 HA THR A 28 8.832 -1.893 -8.817 1.00 0.00 H new ATOM 0 HB THR A 28 7.672 -2.357 -10.587 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.500 -0.716 -11.853 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.221 -2.038 -10.517 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.897 -2.569 -8.959 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.435 -0.866 -9.195 1.00 0.00 H new ATOM 413 N GLN A 29 8.740 1.326 -9.361 1.00 0.00 N ATOM 414 CA GLN A 29 9.538 2.476 -9.776 1.00 0.00 C ATOM 415 C GLN A 29 10.684 2.725 -8.798 1.00 0.00 C ATOM 416 O GLN A 29 11.750 3.204 -9.185 1.00 0.00 O ATOM 417 CB GLN A 29 8.665 3.726 -9.905 1.00 0.00 C ATOM 418 CG GLN A 29 7.589 3.608 -10.971 1.00 0.00 C ATOM 419 CD GLN A 29 7.596 4.777 -11.936 1.00 0.00 C ATOM 420 OE1 GLN A 29 7.775 4.603 -13.141 1.00 0.00 O ATOM 421 NE2 GLN A 29 7.399 5.980 -11.409 1.00 0.00 N ATOM 0 H GLN A 29 7.865 1.564 -8.893 1.00 0.00 H new ATOM 0 HA GLN A 29 9.965 2.252 -10.754 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.192 3.930 -8.944 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.301 4.581 -10.135 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.733 2.682 -11.527 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.612 3.543 -10.491 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.255 6.079 -10.404 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.392 6.805 -12.009 1.00 0.00 H new ATOM 430 N ASN A 30 10.455 2.398 -7.533 1.00 0.00 N ATOM 431 CA ASN A 30 11.466 2.584 -6.489 1.00 0.00 C ATOM 432 C ASN A 30 12.372 1.362 -6.384 1.00 0.00 C ATOM 433 O ASN A 30 13.197 1.266 -5.476 1.00 0.00 O ATOM 434 CB ASN A 30 10.785 2.814 -5.136 1.00 0.00 C ATOM 435 CG ASN A 30 9.321 3.180 -5.291 1.00 0.00 C ATOM 436 OD1 ASN A 30 8.960 3.894 -6.218 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.483 2.716 -4.378 1.00 0.00 N ATOM 0 H ASN A 30 9.576 2.001 -7.200 1.00 0.00 H new ATOM 0 HA ASN A 30 12.069 3.452 -6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.871 1.913 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.303 3.610 -4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.492 2.950 -4.430 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.828 2.124 -3.623 1.00 0.00 H new ATOM 444 N GLY A 31 12.193 0.413 -7.299 1.00 0.00 N ATOM 445 CA GLY A 31 12.984 -0.804 -7.264 1.00 0.00 C ATOM 446 C GLY A 31 12.452 -1.780 -6.232 1.00 0.00 C ATOM 447 O GLY A 31 12.946 -2.899 -6.098 1.00 0.00 O ATOM 0 H GLY A 31 11.517 0.465 -8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.977 -1.273 -8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.021 -0.559 -7.035 1.00 0.00 H new ATOM 451 N VAL A 32 11.428 -1.338 -5.509 1.00 0.00 N ATOM 452 CA VAL A 32 10.782 -2.129 -4.478 1.00 0.00 C ATOM 453 C VAL A 32 10.427 -3.520 -4.988 1.00 0.00 C ATOM 454 O VAL A 32 10.096 -3.703 -6.159 1.00 0.00 O ATOM 455 CB VAL A 32 9.505 -1.402 -4.011 1.00 0.00 C ATOM 456 CG1 VAL A 32 8.939 -1.944 -2.719 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.780 0.072 -3.850 1.00 0.00 C ATOM 0 H VAL A 32 11.022 -0.410 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 32 11.474 -2.245 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 32 8.758 -1.575 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.042 -1.385 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.686 -2.997 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.680 -1.842 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.872 0.578 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.566 0.217 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.101 0.489 -4.805 1.00 0.00 H new ATOM 467 N PRO A 33 10.505 -4.513 -4.096 1.00 0.00 N ATOM 468 CA PRO A 33 10.209 -5.905 -4.383 1.00 0.00 C ATOM 469 C PRO A 33 9.176 -6.065 -5.490 1.00 0.00 C ATOM 470 O PRO A 33 9.222 -7.019 -6.266 1.00 0.00 O ATOM 471 CB PRO A 33 9.682 -6.419 -3.032 1.00 0.00 C ATOM 472 CG PRO A 33 10.119 -5.407 -1.998 1.00 0.00 C ATOM 473 CD PRO A 33 10.905 -4.353 -2.712 1.00 0.00 C ATOM 0 HA PRO A 33 11.074 -6.455 -4.752 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.596 -6.515 -3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.086 -7.406 -2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.254 -4.970 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.725 -5.883 -1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.671 -3.356 -2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.978 -4.497 -2.585 1.00 0.00 H new ATOM 481 N GLY A 34 8.261 -5.116 -5.562 1.00 0.00 N ATOM 482 CA GLY A 34 7.235 -5.142 -6.585 1.00 0.00 C ATOM 483 C GLY A 34 6.410 -6.409 -6.552 1.00 0.00 C ATOM 484 O GLY A 34 6.428 -7.196 -7.499 1.00 0.00 O ATOM 0 H GLY A 34 8.208 -4.320 -4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.578 -4.282 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.702 -5.043 -7.565 1.00 0.00 H new ATOM 488 N ILE A 35 5.679 -6.603 -5.463 1.00 0.00 N ATOM 489 CA ILE A 35 4.838 -7.781 -5.317 1.00 0.00 C ATOM 490 C ILE A 35 3.442 -7.521 -5.873 1.00 0.00 C ATOM 491 O ILE A 35 2.441 -7.957 -5.304 1.00 0.00 O ATOM 492 CB ILE A 35 4.725 -8.218 -3.845 1.00 0.00 C ATOM 493 CG1 ILE A 35 6.086 -8.117 -3.155 1.00 0.00 C ATOM 494 CG2 ILE A 35 4.184 -9.638 -3.758 1.00 0.00 C ATOM 495 CD1 ILE A 35 7.164 -8.946 -3.820 1.00 0.00 C ATOM 0 H ILE A 35 5.652 -5.962 -4.670 1.00 0.00 H new ATOM 0 HA ILE A 35 5.311 -8.583 -5.883 1.00 0.00 H new ATOM 0 HB ILE A 35 4.030 -7.552 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.400 -7.073 -3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.983 -8.435 -2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.109 -9.935 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.197 -9.680 -4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.858 -10.317 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.102 -8.826 -3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.872 -9.996 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.295 -8.613 -4.850 1.00 0.00 H new ATOM 507 N VAL A 36 3.388 -6.804 -6.992 1.00 0.00 N ATOM 508 CA VAL A 36 2.122 -6.476 -7.636 1.00 0.00 C ATOM 509 C VAL A 36 2.165 -6.808 -9.126 1.00 0.00 C ATOM 510 O VAL A 36 2.906 -7.695 -9.550 1.00 0.00 O ATOM 511 CB VAL A 36 1.777 -4.985 -7.457 1.00 0.00 C ATOM 512 CG1 VAL A 36 1.905 -4.577 -5.997 1.00 0.00 C ATOM 513 CG2 VAL A 36 2.667 -4.124 -8.339 1.00 0.00 C ATOM 0 H VAL A 36 4.210 -6.438 -7.472 1.00 0.00 H new ATOM 0 HA VAL A 36 1.350 -7.079 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 36 0.742 -4.831 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.657 -3.521 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.222 -5.172 -5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.928 -4.745 -5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.410 -3.074 -8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.711 -4.281 -8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.519 -4.399 -9.383 1.00 0.00 H new ATOM 523 N ALA A 37 1.368 -6.096 -9.919 1.00 0.00 N ATOM 524 CA ALA A 37 1.322 -6.323 -11.358 1.00 0.00 C ATOM 525 C ALA A 37 0.415 -7.500 -11.701 1.00 0.00 C ATOM 526 O ALA A 37 0.400 -7.975 -12.836 1.00 0.00 O ATOM 527 CB ALA A 37 2.723 -6.560 -11.902 1.00 0.00 C ATOM 0 H ALA A 37 0.746 -5.358 -9.588 1.00 0.00 H new ATOM 0 HA ALA A 37 0.908 -5.430 -11.826 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.672 -6.728 -12.978 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.344 -5.687 -11.700 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.158 -7.435 -11.418 1.00 0.00 H new ATOM 533 N GLU A 38 -0.338 -7.968 -10.711 1.00 0.00 N ATOM 534 CA GLU A 38 -1.246 -9.091 -10.905 1.00 0.00 C ATOM 535 C GLU A 38 -2.464 -8.674 -11.723 1.00 0.00 C ATOM 536 O GLU A 38 -2.537 -8.933 -12.924 1.00 0.00 O ATOM 537 CB GLU A 38 -1.692 -9.651 -9.554 1.00 0.00 C ATOM 538 CG GLU A 38 -0.639 -10.510 -8.876 1.00 0.00 C ATOM 539 CD GLU A 38 -0.577 -11.912 -9.449 1.00 0.00 C ATOM 540 OE1 GLU A 38 -0.463 -12.044 -10.686 1.00 0.00 O ATOM 541 OE2 GLU A 38 -0.641 -12.880 -8.661 1.00 0.00 O ATOM 0 H GLU A 38 -0.337 -7.586 -9.765 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.712 -9.866 -11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.953 -8.823 -8.895 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.596 -10.243 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.336 -10.034 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.853 -10.566 -7.809 1.00 0.00 H new ATOM 548 N CYS A 39 -3.418 -8.027 -11.061 1.00 0.00 N ATOM 549 CA CYS A 39 -4.635 -7.574 -11.722 1.00 0.00 C ATOM 550 C CYS A 39 -4.430 -6.207 -12.374 1.00 0.00 C ATOM 551 O CYS A 39 -5.077 -5.881 -13.369 1.00 0.00 O ATOM 552 CB CYS A 39 -5.793 -7.527 -10.721 1.00 0.00 C ATOM 553 SG CYS A 39 -5.674 -6.185 -9.494 1.00 0.00 S ATOM 0 H CYS A 39 -3.371 -7.805 -10.067 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.882 -8.285 -12.510 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.728 -7.418 -11.271 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.841 -8.480 -10.195 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.057 -6.624 -8.332 1.00 0.00 H new ATOM 558 N GLY A 40 -3.515 -5.419 -11.819 1.00 0.00 N ATOM 559 CA GLY A 40 -3.230 -4.105 -12.371 1.00 0.00 C ATOM 560 C GLY A 40 -4.423 -3.166 -12.330 1.00 0.00 C ATOM 561 O GLY A 40 -5.078 -2.941 -13.347 1.00 0.00 O ATOM 0 H GLY A 40 -2.965 -5.666 -10.996 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.404 -3.657 -11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.899 -4.216 -13.404 1.00 0.00 H new ATOM 565 N GLY A 41 -4.699 -2.612 -11.154 1.00 0.00 N ATOM 566 CA GLY A 41 -5.814 -1.692 -11.009 1.00 0.00 C ATOM 567 C GLY A 41 -7.152 -2.348 -11.283 1.00 0.00 C ATOM 568 O GLY A 41 -8.068 -1.712 -11.804 1.00 0.00 O ATOM 0 H GLY A 41 -4.171 -2.783 -10.298 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.814 -1.284 -9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.679 -0.853 -11.691 1.00 0.00 H new ATOM 572 N SER A 42 -7.264 -3.621 -10.930 1.00 0.00 N ATOM 573 CA SER A 42 -8.500 -4.365 -11.135 1.00 0.00 C ATOM 574 C SER A 42 -9.162 -4.692 -9.801 1.00 0.00 C ATOM 575 O SER A 42 -10.354 -4.997 -9.746 1.00 0.00 O ATOM 576 CB SER A 42 -8.219 -5.655 -11.908 1.00 0.00 C ATOM 577 OG SER A 42 -8.863 -5.644 -13.170 1.00 0.00 O ATOM 0 H SER A 42 -6.513 -4.161 -10.500 1.00 0.00 H new ATOM 0 HA SER A 42 -9.180 -3.742 -11.716 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.144 -5.773 -12.046 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.562 -6.512 -11.329 1.00 0.00 H new ATOM 0 HG SER A 42 -8.666 -6.478 -13.645 1.00 0.00 H new ATOM 583 N CYS A 43 -8.380 -4.627 -8.728 1.00 0.00 N ATOM 584 CA CYS A 43 -8.888 -4.915 -7.391 1.00 0.00 C ATOM 585 C CYS A 43 -9.577 -6.275 -7.354 1.00 0.00 C ATOM 586 O CYS A 43 -10.665 -6.416 -6.795 1.00 0.00 O ATOM 587 CB CYS A 43 -9.864 -3.825 -6.948 1.00 0.00 C ATOM 588 SG CYS A 43 -9.206 -2.146 -7.088 1.00 0.00 S ATOM 0 H CYS A 43 -7.392 -4.377 -8.758 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.042 -4.936 -6.704 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.772 -3.899 -7.547 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.150 -4.007 -5.912 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.104 -1.294 -6.692 1.00 0.00 H new ATOM 594 N VAL A 44 -8.937 -7.274 -7.954 1.00 0.00 N ATOM 595 CA VAL A 44 -9.490 -8.621 -7.988 1.00 0.00 C ATOM 596 C VAL A 44 -8.509 -9.636 -7.406 1.00 0.00 C ATOM 597 O VAL A 44 -8.768 -10.839 -7.417 1.00 0.00 O ATOM 598 CB VAL A 44 -9.858 -9.044 -9.423 1.00 0.00 C ATOM 599 CG1 VAL A 44 -8.607 -9.386 -10.218 1.00 0.00 C ATOM 600 CG2 VAL A 44 -10.823 -10.220 -9.403 1.00 0.00 C ATOM 0 H VAL A 44 -8.036 -7.175 -8.422 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.394 -8.604 -7.380 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.353 -8.205 -9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.888 -9.682 -11.229 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.955 -8.514 -10.264 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.080 -10.207 -9.732 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.071 -10.504 -10.426 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.357 -11.064 -8.894 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.733 -9.935 -8.875 1.00 0.00 H new ATOM 610 N CYS A 45 -7.383 -9.145 -6.899 1.00 0.00 N ATOM 611 CA CYS A 45 -6.371 -10.016 -6.313 1.00 0.00 C ATOM 612 C CYS A 45 -5.921 -9.498 -4.951 1.00 0.00 C ATOM 613 O CYS A 45 -6.221 -8.364 -4.577 1.00 0.00 O ATOM 614 CB CYS A 45 -5.168 -10.149 -7.252 1.00 0.00 C ATOM 615 SG CYS A 45 -3.884 -8.874 -7.026 1.00 0.00 S ATOM 0 H CYS A 45 -7.149 -8.152 -6.882 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.818 -11.000 -6.172 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.717 -11.130 -7.106 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.522 -10.111 -8.282 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.721 -9.444 -6.916 1.00 0.00 H new ATOM 620 N ALA A 46 -5.203 -10.337 -4.210 1.00 0.00 N ATOM 621 CA ALA A 46 -4.717 -9.962 -2.888 1.00 0.00 C ATOM 622 C ALA A 46 -3.214 -10.196 -2.760 1.00 0.00 C ATOM 623 O ALA A 46 -2.700 -10.393 -1.660 1.00 0.00 O ATOM 624 CB ALA A 46 -5.469 -10.735 -1.815 1.00 0.00 C ATOM 0 H ALA A 46 -4.946 -11.280 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.899 -8.896 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.098 -10.447 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.533 -10.509 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.316 -11.804 -1.962 1.00 0.00 H new ATOM 630 N THR A 47 -2.515 -10.169 -3.890 1.00 0.00 N ATOM 631 CA THR A 47 -1.070 -10.375 -3.898 1.00 0.00 C ATOM 632 C THR A 47 -0.333 -9.053 -3.712 1.00 0.00 C ATOM 633 O THR A 47 0.866 -9.031 -3.433 1.00 0.00 O ATOM 634 CB THR A 47 -0.634 -11.038 -5.205 1.00 0.00 C ATOM 635 OG1 THR A 47 -1.614 -11.956 -5.651 1.00 0.00 O ATOM 636 CG2 THR A 47 0.677 -11.787 -5.090 1.00 0.00 C ATOM 0 H THR A 47 -2.924 -10.007 -4.810 1.00 0.00 H new ATOM 0 HA THR A 47 -0.817 -11.032 -3.066 1.00 0.00 H new ATOM 0 HB THR A 47 -0.505 -10.220 -5.914 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.366 -12.295 -6.537 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.927 -12.233 -6.053 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.466 -11.096 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.583 -12.572 -4.340 1.00 0.00 H new ATOM 644 N CYS A 48 -1.061 -7.952 -3.868 1.00 0.00 N ATOM 645 CA CYS A 48 -0.484 -6.621 -3.717 1.00 0.00 C ATOM 646 C CYS A 48 -0.713 -6.082 -2.309 1.00 0.00 C ATOM 647 O CYS A 48 -0.154 -5.053 -1.928 1.00 0.00 O ATOM 648 CB CYS A 48 -1.098 -5.665 -4.738 1.00 0.00 C ATOM 649 SG CYS A 48 -2.791 -5.134 -4.322 1.00 0.00 S ATOM 0 H CYS A 48 -2.054 -7.956 -4.100 1.00 0.00 H new ATOM 0 HA CYS A 48 0.590 -6.697 -3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.462 -4.784 -4.826 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.109 -6.149 -5.715 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.073 -4.040 -4.966 1.00 0.00 H new ATOM 654 N ARG A 49 -1.546 -6.780 -1.544 1.00 0.00 N ATOM 655 CA ARG A 49 -1.864 -6.376 -0.181 1.00 0.00 C ATOM 656 C ARG A 49 -0.669 -5.714 0.499 1.00 0.00 C ATOM 657 O ARG A 49 0.243 -6.392 0.972 1.00 0.00 O ATOM 658 CB ARG A 49 -2.318 -7.586 0.636 1.00 0.00 C ATOM 659 CG ARG A 49 -3.155 -7.221 1.851 1.00 0.00 C ATOM 660 CD ARG A 49 -2.494 -7.681 3.139 1.00 0.00 C ATOM 661 NE ARG A 49 -3.471 -8.141 4.122 1.00 0.00 N ATOM 662 CZ ARG A 49 -3.166 -8.921 5.156 1.00 0.00 C ATOM 663 NH1 ARG A 49 -1.917 -9.328 5.338 1.00 0.00 N ATOM 664 NH2 ARG A 49 -4.112 -9.294 6.007 1.00 0.00 N ATOM 0 H ARG A 49 -2.015 -7.633 -1.848 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.673 -5.647 -0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.895 -8.251 -0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.440 -8.142 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.303 -6.141 1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.142 -7.676 1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.794 -8.487 2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.913 -6.861 3.561 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.442 -7.848 4.010 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.187 -9.043 4.685 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.686 -9.926 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.074 -8.983 5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.878 -9.892 6.800 1.00 0.00 H new ATOM 678 N ILE A 50 -0.689 -4.386 0.554 1.00 0.00 N ATOM 679 CA ILE A 50 0.383 -3.628 1.187 1.00 0.00 C ATOM 680 C ILE A 50 -0.107 -2.992 2.480 1.00 0.00 C ATOM 681 O ILE A 50 -1.258 -3.181 2.878 1.00 0.00 O ATOM 682 CB ILE A 50 0.953 -2.545 0.235 1.00 0.00 C ATOM 683 CG1 ILE A 50 2.475 -2.474 0.372 1.00 0.00 C ATOM 684 CG2 ILE A 50 0.329 -1.178 0.497 1.00 0.00 C ATOM 685 CD1 ILE A 50 3.211 -3.325 -0.639 1.00 0.00 C ATOM 0 H ILE A 50 -1.438 -3.812 0.167 1.00 0.00 H new ATOM 0 HA ILE A 50 1.189 -4.324 1.419 1.00 0.00 H new ATOM 0 HB ILE A 50 0.699 -2.830 -0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.794 -1.437 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.757 -2.791 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.754 -0.446 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.749 -1.235 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.535 -0.875 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.285 -3.227 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.921 -4.368 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.958 -2.994 -1.646 1.00 0.00 H new ATOM 697 N GLU A 51 0.768 -2.247 3.138 1.00 0.00 N ATOM 698 CA GLU A 51 0.406 -1.599 4.389 1.00 0.00 C ATOM 699 C GLU A 51 1.034 -0.214 4.508 1.00 0.00 C ATOM 700 O GLU A 51 2.251 -0.082 4.610 1.00 0.00 O ATOM 701 CB GLU A 51 0.839 -2.463 5.575 1.00 0.00 C ATOM 702 CG GLU A 51 -0.274 -3.330 6.138 1.00 0.00 C ATOM 703 CD GLU A 51 0.245 -4.400 7.078 1.00 0.00 C ATOM 704 OE1 GLU A 51 0.689 -4.048 8.191 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.210 -5.590 6.701 1.00 0.00 O ATOM 0 H GLU A 51 1.725 -2.077 2.830 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.678 -1.482 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.664 -3.103 5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.218 -1.815 6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.988 -2.700 6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.813 -3.802 5.317 1.00 0.00 H new ATOM 712 N ILE A 52 0.188 0.811 4.532 1.00 0.00 N ATOM 713 CA ILE A 52 0.652 2.183 4.679 1.00 0.00 C ATOM 714 C ILE A 52 1.211 2.353 6.079 1.00 0.00 C ATOM 715 O ILE A 52 0.713 1.720 7.010 1.00 0.00 O ATOM 716 CB ILE A 52 -0.513 3.172 4.470 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.124 2.967 3.092 1.00 0.00 C ATOM 718 CG2 ILE A 52 -0.051 4.611 4.644 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.394 3.721 2.011 1.00 0.00 C ATOM 0 H ILE A 52 -0.824 0.715 4.451 1.00 0.00 H new ATOM 0 HA ILE A 52 1.419 2.389 3.933 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.272 2.976 5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.120 1.904 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.166 3.286 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.894 5.285 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.344 4.747 5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.729 4.833 3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.875 3.536 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.420 4.788 2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.642 3.384 1.969 1.00 0.00 H new ATOM 731 N GLU A 53 2.232 3.184 6.268 1.00 0.00 N ATOM 732 CA GLU A 53 2.752 3.324 7.634 1.00 0.00 C ATOM 733 C GLU A 53 1.594 3.702 8.562 1.00 0.00 C ATOM 734 O GLU A 53 0.461 3.835 8.106 1.00 0.00 O ATOM 735 CB GLU A 53 3.884 4.345 7.717 1.00 0.00 C ATOM 736 CG GLU A 53 3.402 5.745 7.529 1.00 0.00 C ATOM 737 CD GLU A 53 2.367 5.826 6.428 1.00 0.00 C ATOM 738 OE1 GLU A 53 1.232 5.385 6.664 1.00 0.00 O ATOM 739 OE2 GLU A 53 2.684 6.360 5.347 1.00 0.00 O ATOM 0 H GLU A 53 2.694 3.740 5.549 1.00 0.00 H new ATOM 0 HA GLU A 53 3.180 2.372 7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.376 4.260 8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.632 4.116 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.974 6.113 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.245 6.393 7.288 1.00 0.00 H new ATOM 746 N ASP A 54 1.846 3.850 9.857 1.00 0.00 N ATOM 747 CA ASP A 54 0.767 4.196 10.786 1.00 0.00 C ATOM 748 C ASP A 54 0.657 5.698 10.992 1.00 0.00 C ATOM 749 O ASP A 54 0.133 6.165 12.003 1.00 0.00 O ATOM 750 CB ASP A 54 0.957 3.487 12.127 1.00 0.00 C ATOM 751 CG ASP A 54 -0.331 3.402 12.922 1.00 0.00 C ATOM 752 OD1 ASP A 54 -1.103 2.446 12.698 1.00 0.00 O ATOM 753 OD2 ASP A 54 -0.565 4.289 13.769 1.00 0.00 O ATOM 0 H ASP A 54 2.765 3.740 10.285 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.166 3.855 10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.340 2.482 11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.708 4.017 12.712 1.00 0.00 H new ATOM 758 N ALA A 55 1.140 6.440 10.019 1.00 0.00 N ATOM 759 CA ALA A 55 1.096 7.889 10.056 1.00 0.00 C ATOM 760 C ALA A 55 0.188 8.417 8.970 1.00 0.00 C ATOM 761 O ALA A 55 -0.378 9.502 9.082 1.00 0.00 O ATOM 762 CB ALA A 55 2.493 8.461 9.858 1.00 0.00 C ATOM 0 H ALA A 55 1.575 6.058 9.179 1.00 0.00 H new ATOM 0 HA ALA A 55 0.710 8.194 11.029 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.448 9.550 9.888 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.149 8.103 10.652 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.884 8.140 8.892 1.00 0.00 H new ATOM 768 N TRP A 56 0.127 7.662 7.883 1.00 0.00 N ATOM 769 CA TRP A 56 -0.623 8.064 6.710 1.00 0.00 C ATOM 770 C TRP A 56 -1.866 7.263 6.443 1.00 0.00 C ATOM 771 O TRP A 56 -2.517 7.465 5.425 1.00 0.00 O ATOM 772 CB TRP A 56 0.289 7.932 5.530 1.00 0.00 C ATOM 773 CG TRP A 56 1.509 8.733 5.729 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.466 8.520 6.672 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.888 9.894 5.016 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.443 9.451 6.572 1.00 0.00 N ATOM 777 CE2 TRP A 56 3.118 10.316 5.563 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.322 10.615 3.952 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.790 11.425 5.091 1.00 0.00 C ATOM 780 CZ3 TRP A 56 2.003 11.721 3.482 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.225 12.116 4.048 1.00 0.00 C ATOM 0 H TRP A 56 0.594 6.760 7.793 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.963 9.084 6.888 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.554 6.885 5.383 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.225 8.260 4.627 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.449 7.721 7.398 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.281 9.500 7.152 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.382 10.314 3.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.727 11.738 5.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.588 12.292 2.665 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.733 12.984 3.654 1.00 0.00 H new ATOM 792 N VAL A 57 -2.222 6.376 7.324 1.00 0.00 N ATOM 793 CA VAL A 57 -3.414 5.612 7.102 1.00 0.00 C ATOM 794 C VAL A 57 -4.599 6.535 7.115 1.00 0.00 C ATOM 795 O VAL A 57 -5.530 6.404 6.320 1.00 0.00 O ATOM 796 CB VAL A 57 -3.597 4.559 8.164 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.783 3.709 7.805 1.00 0.00 C ATOM 798 CG2 VAL A 57 -2.323 3.771 8.276 1.00 0.00 C ATOM 0 H VAL A 57 -1.717 6.166 8.185 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.327 5.113 6.137 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.800 4.999 9.141 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.925 2.943 8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.674 4.334 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.611 3.233 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.436 3.003 9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.101 3.300 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.506 4.438 8.550 1.00 0.00 H new ATOM 808 N GLU A 58 -4.526 7.496 8.012 1.00 0.00 N ATOM 809 CA GLU A 58 -5.569 8.490 8.124 1.00 0.00 C ATOM 810 C GLU A 58 -5.360 9.550 7.051 1.00 0.00 C ATOM 811 O GLU A 58 -6.188 10.440 6.863 1.00 0.00 O ATOM 812 CB GLU A 58 -5.568 9.125 9.515 1.00 0.00 C ATOM 813 CG GLU A 58 -5.125 8.173 10.613 1.00 0.00 C ATOM 814 CD GLU A 58 -5.420 8.704 12.001 1.00 0.00 C ATOM 815 OE1 GLU A 58 -5.554 9.937 12.150 1.00 0.00 O ATOM 816 OE2 GLU A 58 -5.519 7.887 12.941 1.00 0.00 O ATOM 0 H GLU A 58 -3.757 7.609 8.672 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.538 8.012 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.909 9.993 9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.571 9.488 9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.626 7.214 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.055 7.989 10.519 1.00 0.00 H new ATOM 823 N ILE A 59 -4.241 9.423 6.336 1.00 0.00 N ATOM 824 CA ILE A 59 -3.908 10.350 5.255 1.00 0.00 C ATOM 825 C ILE A 59 -4.253 9.725 3.921 1.00 0.00 C ATOM 826 O ILE A 59 -4.689 10.396 2.985 1.00 0.00 O ATOM 827 CB ILE A 59 -2.405 10.691 5.243 1.00 0.00 C ATOM 828 CG1 ILE A 59 -2.104 11.779 6.251 1.00 0.00 C ATOM 829 CG2 ILE A 59 -1.939 11.128 3.857 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.739 11.649 6.860 1.00 0.00 C ATOM 0 H ILE A 59 -3.551 8.687 6.486 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.482 11.262 5.421 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.861 9.786 5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.188 12.751 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.853 11.752 7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.874 11.360 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.114 10.323 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.495 12.014 3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.581 12.457 7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.659 10.690 7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.016 11.705 6.076 1.00 0.00 H new ATOM 842 N VAL A 60 -4.009 8.433 3.850 1.00 0.00 N ATOM 843 CA VAL A 60 -4.237 7.674 2.642 1.00 0.00 C ATOM 844 C VAL A 60 -5.665 7.159 2.583 1.00 0.00 C ATOM 845 O VAL A 60 -6.303 7.185 1.532 1.00 0.00 O ATOM 846 CB VAL A 60 -3.241 6.514 2.568 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.320 5.824 1.219 1.00 0.00 C ATOM 848 CG2 VAL A 60 -1.829 7.025 2.855 1.00 0.00 C ATOM 0 H VAL A 60 -3.647 7.882 4.628 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.086 8.329 1.784 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.497 5.774 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.604 5.003 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.327 5.434 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.086 6.539 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.124 6.196 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.558 7.780 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.797 7.464 3.852 1.00 0.00 H new ATOM 858 N GLY A 61 -6.169 6.712 3.723 1.00 0.00 N ATOM 859 CA GLY A 61 -7.537 6.224 3.773 1.00 0.00 C ATOM 860 C GLY A 61 -7.682 4.800 3.282 1.00 0.00 C ATOM 861 O GLY A 61 -7.996 4.571 2.114 1.00 0.00 O ATOM 0 H GLY A 61 -5.664 6.677 4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.901 6.286 4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.170 6.875 3.170 1.00 0.00 H new ATOM 865 N GLU A 62 -7.445 3.840 4.169 1.00 0.00 N ATOM 866 CA GLU A 62 -7.546 2.438 3.818 1.00 0.00 C ATOM 867 C GLU A 62 -8.847 2.164 3.080 1.00 0.00 C ATOM 868 O GLU A 62 -9.624 3.075 2.795 1.00 0.00 O ATOM 869 CB GLU A 62 -7.466 1.569 5.077 1.00 0.00 C ATOM 870 CG GLU A 62 -6.254 1.861 5.950 1.00 0.00 C ATOM 871 CD GLU A 62 -6.490 1.514 7.407 1.00 0.00 C ATOM 872 OE1 GLU A 62 -7.327 2.182 8.049 1.00 0.00 O ATOM 873 OE2 GLU A 62 -5.836 0.574 7.907 1.00 0.00 O ATOM 0 H GLU A 62 -7.181 4.013 5.139 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.713 2.188 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.371 1.716 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.445 0.520 4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.399 1.296 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.998 2.917 5.868 1.00 0.00 H new ATOM 880 N ALA A 63 -9.064 0.903 2.761 1.00 0.00 N ATOM 881 CA ALA A 63 -10.258 0.491 2.031 1.00 0.00 C ATOM 882 C ALA A 63 -11.497 0.458 2.913 1.00 0.00 C ATOM 883 O ALA A 63 -11.435 0.116 4.092 1.00 0.00 O ATOM 884 CB ALA A 63 -10.058 -0.875 1.397 1.00 0.00 C ATOM 0 H ALA A 63 -8.429 0.140 2.995 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.417 1.239 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.961 -1.162 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.219 -0.835 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.851 -1.610 2.175 1.00 0.00 H new ATOM 890 N ASN A 64 -12.626 0.794 2.304 1.00 0.00 N ATOM 891 CA ASN A 64 -13.900 0.788 2.977 1.00 0.00 C ATOM 892 C ASN A 64 -14.166 -0.581 3.575 1.00 0.00 C ATOM 893 O ASN A 64 -13.370 -1.509 3.430 1.00 0.00 O ATOM 894 CB ASN A 64 -15.028 1.153 1.990 1.00 0.00 C ATOM 895 CG ASN A 64 -14.651 0.943 0.535 1.00 0.00 C ATOM 896 OD1 ASN A 64 -14.555 -0.191 0.064 1.00 0.00 O ATOM 897 ND2 ASN A 64 -14.435 2.037 -0.186 1.00 0.00 N ATOM 0 H ASN A 64 -12.675 1.078 1.326 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.875 1.529 3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.909 0.553 2.219 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.306 2.197 2.138 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.179 1.957 -1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.526 2.957 0.244 1.00 0.00 H new ATOM 904 N PRO A 65 -15.305 -0.715 4.245 1.00 0.00 N ATOM 905 CA PRO A 65 -15.730 -1.962 4.876 1.00 0.00 C ATOM 906 C PRO A 65 -16.058 -3.048 3.849 1.00 0.00 C ATOM 907 O PRO A 65 -16.467 -4.151 4.211 1.00 0.00 O ATOM 908 CB PRO A 65 -16.990 -1.556 5.662 1.00 0.00 C ATOM 909 CG PRO A 65 -16.967 -0.061 5.696 1.00 0.00 C ATOM 910 CD PRO A 65 -16.271 0.359 4.436 1.00 0.00 C ATOM 0 HA PRO A 65 -14.947 -2.392 5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.893 -1.925 5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.977 -1.973 6.669 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -17.977 0.346 5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -16.438 0.303 6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.962 0.439 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.785 1.329 4.543 1.00 0.00 H new ATOM 918 N ASP A 66 -15.863 -2.733 2.565 1.00 0.00 N ATOM 919 CA ASP A 66 -16.124 -3.685 1.493 1.00 0.00 C ATOM 920 C ASP A 66 -14.870 -4.497 1.197 1.00 0.00 C ATOM 921 O ASP A 66 -14.890 -5.727 1.241 1.00 0.00 O ATOM 922 CB ASP A 66 -16.585 -2.954 0.230 1.00 0.00 C ATOM 923 CG ASP A 66 -17.801 -2.084 0.478 1.00 0.00 C ATOM 924 OD1 ASP A 66 -18.808 -2.608 0.999 1.00 0.00 O ATOM 925 OD2 ASP A 66 -17.747 -0.881 0.148 1.00 0.00 O ATOM 0 H ASP A 66 -15.525 -1.825 2.247 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.917 -4.361 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.770 -2.336 -0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.816 -3.684 -0.545 1.00 0.00 H new ATOM 930 N GLU A 67 -13.775 -3.798 0.913 1.00 0.00 N ATOM 931 CA GLU A 67 -12.507 -4.461 0.632 1.00 0.00 C ATOM 932 C GLU A 67 -12.171 -5.426 1.758 1.00 0.00 C ATOM 933 O GLU A 67 -11.788 -6.572 1.521 1.00 0.00 O ATOM 934 CB GLU A 67 -11.388 -3.431 0.481 1.00 0.00 C ATOM 935 CG GLU A 67 -10.031 -4.046 0.182 1.00 0.00 C ATOM 936 CD GLU A 67 -10.093 -5.096 -0.911 1.00 0.00 C ATOM 937 OE1 GLU A 67 -10.631 -6.193 -0.649 1.00 0.00 O ATOM 938 OE2 GLU A 67 -9.603 -4.822 -2.026 1.00 0.00 O ATOM 0 H GLU A 67 -13.740 -2.779 0.872 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.601 -5.014 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.648 -2.739 -0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.318 -2.846 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.337 -3.259 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.632 -4.497 1.091 1.00 0.00 H new ATOM 945 N ASN A 68 -12.331 -4.950 2.989 1.00 0.00 N ATOM 946 CA ASN A 68 -12.060 -5.766 4.166 1.00 0.00 C ATOM 947 C ASN A 68 -13.043 -6.926 4.248 1.00 0.00 C ATOM 948 O ASN A 68 -12.689 -8.026 4.673 1.00 0.00 O ATOM 949 CB ASN A 68 -12.149 -4.913 5.433 1.00 0.00 C ATOM 950 CG ASN A 68 -12.068 -5.746 6.698 1.00 0.00 C ATOM 951 OD1 ASN A 68 -11.461 -6.817 6.713 1.00 0.00 O ATOM 952 ND2 ASN A 68 -12.680 -5.255 7.769 1.00 0.00 N ATOM 0 H ASN A 68 -12.647 -4.003 3.197 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.051 -6.169 4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.342 -4.180 5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.086 -4.356 5.428 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.659 -5.770 8.649 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.172 -4.363 7.711 1.00 0.00 H new ATOM 959 N ASP A 69 -14.280 -6.675 3.831 1.00 0.00 N ATOM 960 CA ASP A 69 -15.315 -7.701 3.849 1.00 0.00 C ATOM 961 C ASP A 69 -14.938 -8.856 2.930 1.00 0.00 C ATOM 962 O ASP A 69 -15.104 -10.024 3.282 1.00 0.00 O ATOM 963 CB ASP A 69 -16.661 -7.109 3.425 1.00 0.00 C ATOM 964 CG ASP A 69 -17.698 -7.177 4.529 1.00 0.00 C ATOM 965 OD1 ASP A 69 -17.381 -6.770 5.667 1.00 0.00 O ATOM 966 OD2 ASP A 69 -18.826 -7.638 4.257 1.00 0.00 O ATOM 0 H ASP A 69 -14.589 -5.770 3.477 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.404 -8.080 4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.520 -6.070 3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.030 -7.644 2.550 1.00 0.00 H new ATOM 971 N LEU A 70 -14.426 -8.521 1.749 1.00 0.00 N ATOM 972 CA LEU A 70 -14.019 -9.529 0.779 1.00 0.00 C ATOM 973 C LEU A 70 -12.925 -10.419 1.360 1.00 0.00 C ATOM 974 O LEU A 70 -12.907 -11.628 1.134 1.00 0.00 O ATOM 975 CB LEU A 70 -13.523 -8.863 -0.506 1.00 0.00 C ATOM 976 CG LEU A 70 -12.720 -9.772 -1.440 1.00 0.00 C ATOM 977 CD1 LEU A 70 -13.072 -9.489 -2.892 1.00 0.00 C ATOM 978 CD2 LEU A 70 -11.228 -9.589 -1.206 1.00 0.00 C ATOM 0 H LEU A 70 -14.284 -7.559 1.442 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.885 -10.147 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.384 -8.476 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.905 -8.006 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.979 -10.808 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.492 -10.144 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.135 -9.670 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.842 -8.450 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.671 -10.242 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.954 -8.552 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.988 -9.842 -0.173 1.00 0.00 H new ATOM 990 N LEU A 71 -12.018 -9.808 2.115 1.00 0.00 N ATOM 991 CA LEU A 71 -10.921 -10.540 2.737 1.00 0.00 C ATOM 992 C LEU A 71 -11.393 -11.233 4.010 1.00 0.00 C ATOM 993 O LEU A 71 -10.883 -12.290 4.381 1.00 0.00 O ATOM 994 CB LEU A 71 -9.764 -9.591 3.058 1.00 0.00 C ATOM 995 CG LEU A 71 -8.831 -9.284 1.887 1.00 0.00 C ATOM 996 CD1 LEU A 71 -8.013 -8.033 2.171 1.00 0.00 C ATOM 997 CD2 LEU A 71 -7.918 -10.468 1.610 1.00 0.00 C ATOM 0 H LEU A 71 -12.021 -8.807 2.311 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.574 -11.298 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.177 -8.653 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.175 -10.022 3.868 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.438 -9.103 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.354 -7.830 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.683 -7.186 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.415 -8.186 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.260 -10.232 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.318 -10.679 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.521 -11.342 1.363 1.00 0.00 H new ATOM 1009 N GLN A 72 -12.376 -10.629 4.672 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.924 -11.186 5.904 1.00 0.00 C ATOM 1011 C GLN A 72 -13.658 -12.492 5.623 1.00 0.00 C ATOM 1012 O GLN A 72 -13.633 -13.417 6.435 1.00 0.00 O ATOM 1013 CB GLN A 72 -13.876 -10.186 6.565 1.00 0.00 C ATOM 1014 CG GLN A 72 -13.190 -9.240 7.536 1.00 0.00 C ATOM 1015 CD GLN A 72 -13.972 -9.052 8.821 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -14.232 -7.927 9.246 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -14.354 -10.160 9.449 1.00 0.00 N ATOM 0 H GLN A 72 -12.809 -9.754 4.376 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.096 -11.389 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.370 -9.601 5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.655 -10.735 7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -12.198 -9.625 7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.050 -8.272 7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -14.117 -11.073 9.062 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.884 -10.097 10.318 1.00 0.00 H new ATOM 1026 N SER A 73 -14.309 -12.559 4.467 1.00 0.00 N ATOM 1027 CA SER A 73 -15.048 -13.751 4.074 1.00 0.00 C ATOM 1028 C SER A 73 -14.134 -14.971 4.054 1.00 0.00 C ATOM 1029 O SER A 73 -14.570 -16.092 4.314 1.00 0.00 O ATOM 1030 CB SER A 73 -15.685 -13.552 2.698 1.00 0.00 C ATOM 1031 OG SER A 73 -15.072 -14.382 1.726 1.00 0.00 O ATOM 0 H SER A 73 -14.339 -11.801 3.786 1.00 0.00 H new ATOM 0 HA SER A 73 -15.836 -13.920 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.750 -13.776 2.752 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.593 -12.508 2.399 1.00 0.00 H new ATOM 0 HG SER A 73 -15.499 -14.237 0.856 1.00 0.00 H new ATOM 1037 N THR A 74 -12.861 -14.743 3.743 1.00 0.00 N ATOM 1038 CA THR A 74 -11.883 -15.822 3.690 1.00 0.00 C ATOM 1039 C THR A 74 -11.549 -16.322 5.092 1.00 0.00 C ATOM 1040 O THR A 74 -11.565 -17.524 5.353 1.00 0.00 O ATOM 1041 CB THR A 74 -10.609 -15.349 2.988 1.00 0.00 C ATOM 1042 OG1 THR A 74 -9.880 -14.462 3.816 1.00 0.00 O ATOM 1043 CG2 THR A 74 -10.875 -14.640 1.678 1.00 0.00 C ATOM 0 H THR A 74 -12.484 -13.821 3.524 1.00 0.00 H new ATOM 0 HA THR A 74 -12.317 -16.646 3.124 1.00 0.00 H new ATOM 0 HB THR A 74 -10.040 -16.255 2.783 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.157 -13.540 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.929 -14.331 1.233 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.393 -15.316 0.997 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.495 -13.762 1.859 1.00 0.00 H new ATOM 1051 N GLY A 75 -11.251 -15.389 5.991 1.00 0.00 N ATOM 1052 CA GLY A 75 -10.921 -15.756 7.357 1.00 0.00 C ATOM 1053 C GLY A 75 -9.589 -15.188 7.808 1.00 0.00 C ATOM 1054 O GLY A 75 -9.063 -15.579 8.850 1.00 0.00 O ATOM 0 H GLY A 75 -11.232 -14.387 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.707 -15.403 8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.896 -16.842 7.441 1.00 0.00 H new ATOM 1058 N GLU A 76 -9.041 -14.265 7.024 1.00 0.00 N ATOM 1059 CA GLU A 76 -7.762 -13.644 7.352 1.00 0.00 C ATOM 1060 C GLU A 76 -7.965 -12.225 7.876 1.00 0.00 C ATOM 1061 O GLU A 76 -8.374 -11.332 7.134 1.00 0.00 O ATOM 1062 CB GLU A 76 -6.852 -13.622 6.123 1.00 0.00 C ATOM 1063 CG GLU A 76 -6.277 -14.984 5.769 1.00 0.00 C ATOM 1064 CD GLU A 76 -5.509 -14.969 4.461 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -5.557 -13.939 3.757 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -4.860 -15.988 4.142 1.00 0.00 O ATOM 0 H GLU A 76 -9.462 -13.930 6.157 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.288 -14.236 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.415 -13.242 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.033 -12.925 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.617 -15.315 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.087 -15.710 5.703 1.00 0.00 H new ATOM 1073 N PRO A 77 -7.680 -12.002 9.168 1.00 0.00 N ATOM 1074 CA PRO A 77 -7.831 -10.686 9.798 1.00 0.00 C ATOM 1075 C PRO A 77 -6.959 -9.626 9.135 1.00 0.00 C ATOM 1076 O PRO A 77 -6.216 -9.915 8.199 1.00 0.00 O ATOM 1077 CB PRO A 77 -7.381 -10.918 11.246 1.00 0.00 C ATOM 1078 CG PRO A 77 -7.472 -12.391 11.452 1.00 0.00 C ATOM 1079 CD PRO A 77 -7.189 -13.015 10.115 1.00 0.00 C ATOM 0 HA PRO A 77 -8.852 -10.314 9.714 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.364 -10.560 11.404 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.020 -10.382 11.948 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.752 -12.726 12.199 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.461 -12.674 11.813 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.126 -13.213 9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.709 -13.966 9.995 1.00 0.00 H new ATOM 1087 N MET A 78 -7.056 -8.396 9.629 1.00 0.00 N ATOM 1088 CA MET A 78 -6.277 -7.290 9.085 1.00 0.00 C ATOM 1089 C MET A 78 -5.312 -6.737 10.129 1.00 0.00 C ATOM 1090 O MET A 78 -5.326 -7.158 11.286 1.00 0.00 O ATOM 1091 CB MET A 78 -7.207 -6.179 8.594 1.00 0.00 C ATOM 1092 CG MET A 78 -8.258 -6.660 7.606 1.00 0.00 C ATOM 1093 SD MET A 78 -8.207 -5.761 6.045 1.00 0.00 S ATOM 1094 CE MET A 78 -8.805 -4.154 6.562 1.00 0.00 C ATOM 0 H MET A 78 -7.666 -8.140 10.405 1.00 0.00 H new ATOM 0 HA MET A 78 -5.695 -7.667 8.244 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.706 -5.728 9.452 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.610 -5.397 8.125 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.111 -7.723 7.414 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.247 -6.551 8.052 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.101 -3.577 5.686 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.664 -4.280 7.220 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.014 -3.626 7.095 1.00 0.00 H new ATOM 1104 N THR A 79 -4.477 -5.791 9.713 1.00 0.00 N ATOM 1105 CA THR A 79 -3.506 -5.178 10.612 1.00 0.00 C ATOM 1106 C THR A 79 -3.722 -3.671 10.691 1.00 0.00 C ATOM 1107 O THR A 79 -4.801 -3.173 10.369 1.00 0.00 O ATOM 1108 CB THR A 79 -2.081 -5.479 10.142 1.00 0.00 C ATOM 1109 OG1 THR A 79 -1.748 -4.695 9.009 1.00 0.00 O ATOM 1110 CG2 THR A 79 -1.871 -6.931 9.774 1.00 0.00 C ATOM 0 H THR A 79 -4.453 -5.432 8.759 1.00 0.00 H new ATOM 0 HA THR A 79 -3.647 -5.602 11.606 1.00 0.00 H new ATOM 0 HB THR A 79 -1.439 -5.237 10.989 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.850 -4.319 9.124 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.841 -7.079 9.449 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.071 -7.559 10.642 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.549 -7.203 8.965 1.00 0.00 H new ATOM 1118 N ALA A 80 -2.694 -2.951 11.122 1.00 0.00 N ATOM 1119 CA ALA A 80 -2.779 -1.501 11.242 1.00 0.00 C ATOM 1120 C ALA A 80 -2.348 -0.812 9.954 1.00 0.00 C ATOM 1121 O ALA A 80 -1.283 -1.101 9.407 1.00 0.00 O ATOM 1122 CB ALA A 80 -1.933 -1.013 12.406 1.00 0.00 C ATOM 0 H ALA A 80 -1.794 -3.346 11.394 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.821 -1.244 11.430 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.008 0.072 12.481 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.290 -1.466 13.331 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.893 -1.294 12.243 1.00 0.00 H new ATOM 1128 N GLY A 81 -3.180 0.108 9.481 1.00 0.00 N ATOM 1129 CA GLY A 81 -2.871 0.840 8.268 1.00 0.00 C ATOM 1130 C GLY A 81 -2.951 -0.016 7.017 1.00 0.00 C ATOM 1131 O GLY A 81 -2.373 0.331 5.987 1.00 0.00 O ATOM 0 H GLY A 81 -4.066 0.361 9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.561 1.679 8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.868 1.260 8.350 1.00 0.00 H new ATOM 1135 N THR A 82 -3.668 -1.131 7.100 1.00 0.00 N ATOM 1136 CA THR A 82 -3.814 -2.025 5.958 1.00 0.00 C ATOM 1137 C THR A 82 -4.637 -1.367 4.856 1.00 0.00 C ATOM 1138 O THR A 82 -5.668 -0.750 5.123 1.00 0.00 O ATOM 1139 CB THR A 82 -4.474 -3.334 6.390 1.00 0.00 C ATOM 1140 OG1 THR A 82 -4.309 -3.545 7.781 1.00 0.00 O ATOM 1141 CG2 THR A 82 -3.917 -4.543 5.674 1.00 0.00 C ATOM 0 H THR A 82 -4.155 -1.436 7.942 1.00 0.00 H new ATOM 0 HA THR A 82 -2.820 -2.240 5.566 1.00 0.00 H new ATOM 0 HB THR A 82 -5.527 -3.228 6.131 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.420 -3.919 7.952 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.427 -5.440 6.025 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.072 -4.434 4.601 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.850 -4.628 5.880 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.176 -1.497 3.615 1.00 0.00 N ATOM 1150 CA ARG A 83 -4.873 -0.908 2.479 1.00 0.00 C ATOM 1151 C ARG A 83 -4.297 -1.410 1.160 1.00 0.00 C ATOM 1152 O ARG A 83 -3.081 -1.516 1.003 1.00 0.00 O ATOM 1153 CB ARG A 83 -4.780 0.617 2.544 1.00 0.00 C ATOM 1154 CG ARG A 83 -5.287 1.315 1.293 1.00 0.00 C ATOM 1155 CD ARG A 83 -6.607 0.728 0.822 1.00 0.00 C ATOM 1156 NE ARG A 83 -7.621 1.758 0.621 1.00 0.00 N ATOM 1157 CZ ARG A 83 -8.637 1.636 -0.227 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -8.769 0.532 -0.951 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -9.519 2.618 -0.351 1.00 0.00 N ATOM 0 H ARG A 83 -3.325 -2.004 3.372 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.919 -1.209 2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.351 0.970 3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.741 0.902 2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.412 2.379 1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.545 1.226 0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.451 0.186 -0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.965 0.005 1.555 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.546 2.620 1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.090 -0.224 -0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.549 0.439 -1.602 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.418 3.467 0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.299 2.524 -1.002 1.00 0.00 H new ATOM 1173 N LEU A 84 -5.177 -1.712 0.208 1.00 0.00 N ATOM 1174 CA LEU A 84 -4.749 -2.197 -1.099 1.00 0.00 C ATOM 1175 C LEU A 84 -3.817 -1.189 -1.763 1.00 0.00 C ATOM 1176 O LEU A 84 -4.216 -0.065 -2.067 1.00 0.00 O ATOM 1177 CB LEU A 84 -5.959 -2.467 -1.995 1.00 0.00 C ATOM 1178 CG LEU A 84 -6.519 -3.888 -1.906 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -5.858 -4.786 -2.940 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -6.321 -4.446 -0.505 1.00 0.00 C ATOM 0 H LEU A 84 -6.188 -1.629 0.318 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.207 -3.132 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.750 -1.763 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.680 -2.266 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.588 -3.855 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.268 -5.793 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.048 -4.392 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.783 -4.817 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.724 -5.458 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.257 -4.467 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.840 -3.813 0.215 1.00 0.00 H new ATOM 1192 N SER A 85 -2.572 -1.597 -1.970 1.00 0.00 N ATOM 1193 CA SER A 85 -1.570 -0.733 -2.582 1.00 0.00 C ATOM 1194 C SER A 85 -2.043 -0.174 -3.922 1.00 0.00 C ATOM 1195 O SER A 85 -1.800 0.988 -4.234 1.00 0.00 O ATOM 1196 CB SER A 85 -0.261 -1.499 -2.775 1.00 0.00 C ATOM 1197 OG SER A 85 -0.505 -2.879 -2.986 1.00 0.00 O ATOM 0 H SER A 85 -2.230 -2.525 -1.722 1.00 0.00 H new ATOM 0 HA SER A 85 -1.407 0.108 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.283 -1.088 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.373 -1.368 -1.898 1.00 0.00 H new ATOM 0 HG SER A 85 -0.551 -3.339 -2.122 1.00 0.00 H new ATOM 1203 N CYS A 86 -2.702 -1.009 -4.718 1.00 0.00 N ATOM 1204 CA CYS A 86 -3.186 -0.591 -6.032 1.00 0.00 C ATOM 1205 C CYS A 86 -4.618 -0.068 -5.968 1.00 0.00 C ATOM 1206 O CYS A 86 -5.379 -0.215 -6.924 1.00 0.00 O ATOM 1207 CB CYS A 86 -3.109 -1.754 -7.023 1.00 0.00 C ATOM 1208 SG CYS A 86 -4.552 -2.867 -6.978 1.00 0.00 S ATOM 0 H CYS A 86 -2.914 -1.978 -4.479 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.543 0.221 -6.371 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.005 -1.352 -8.031 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.210 -2.334 -6.817 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.644 -2.166 -7.057 1.00 0.00 H new ATOM 1213 N GLN A 87 -4.993 0.531 -4.842 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.346 1.052 -4.686 1.00 0.00 C ATOM 1215 C GLN A 87 -6.354 2.546 -4.365 1.00 0.00 C ATOM 1216 O GLN A 87 -7.323 3.241 -4.668 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.086 0.282 -3.589 1.00 0.00 C ATOM 1218 CG GLN A 87 -8.559 0.062 -3.890 1.00 0.00 C ATOM 1219 CD GLN A 87 -9.070 -1.263 -3.358 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -9.933 -1.302 -2.481 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -8.537 -2.358 -3.886 1.00 0.00 N ATOM 0 H GLN A 87 -4.387 0.667 -4.033 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.857 0.915 -5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.604 -0.685 -3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.993 0.826 -2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.141 0.874 -3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.716 0.102 -4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.824 -2.279 -4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.840 -3.278 -3.567 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.289 3.038 -3.739 1.00 0.00 N ATOM 1231 CA VAL A 88 -5.213 4.441 -3.375 1.00 0.00 C ATOM 1232 C VAL A 88 -4.178 5.183 -4.210 1.00 0.00 C ATOM 1233 O VAL A 88 -3.032 4.760 -4.301 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.859 4.584 -1.891 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -4.441 6.004 -1.584 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -6.027 4.148 -1.023 1.00 0.00 C ATOM 0 H VAL A 88 -4.473 2.486 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.191 4.881 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.015 3.932 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.193 6.090 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.569 6.264 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.260 6.684 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.759 4.256 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.895 4.770 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.266 3.105 -1.232 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.590 6.290 -4.827 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.690 7.078 -5.667 1.00 0.00 C ATOM 1248 C PHE A 89 -3.311 8.410 -5.034 1.00 0.00 C ATOM 1249 O PHE A 89 -4.143 9.111 -4.458 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.325 7.309 -7.036 1.00 0.00 C ATOM 1251 CG PHE A 89 -4.713 6.028 -7.702 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -4.227 4.829 -7.210 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -5.561 6.012 -8.802 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -4.574 3.626 -7.800 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -5.916 4.812 -9.401 1.00 0.00 C ATOM 1256 CZ PHE A 89 -5.422 3.616 -8.898 1.00 0.00 C ATOM 0 H PHE A 89 -5.538 6.660 -4.761 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.769 6.505 -5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.207 7.940 -6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.625 7.850 -7.673 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.568 4.832 -6.354 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.947 6.941 -9.194 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.186 2.698 -7.407 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.575 4.808 -10.257 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.697 2.680 -9.361 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.034 8.739 -5.164 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.468 9.964 -4.641 1.00 0.00 C ATOM 1268 C ILE A 90 -2.342 11.182 -4.941 1.00 0.00 C ATOM 1269 O ILE A 90 -3.209 11.146 -5.814 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.065 10.158 -5.238 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.871 9.076 -4.712 1.00 0.00 C ATOM 1272 CG2 ILE A 90 0.505 11.517 -4.908 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.667 9.526 -3.503 1.00 0.00 C ATOM 0 H ILE A 90 -1.355 8.149 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.411 9.876 -3.556 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.155 10.085 -6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.288 8.193 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.558 8.780 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.497 11.612 -5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.147 12.292 -5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.577 11.629 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.316 8.715 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.274 10.391 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.984 9.796 -2.698 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.098 12.253 -4.194 1.00 0.00 N ATOM 1286 CA ASP A 91 -2.827 13.492 -4.321 1.00 0.00 C ATOM 1287 C ASP A 91 -2.268 14.428 -3.258 1.00 0.00 C ATOM 1288 O ASP A 91 -1.512 13.980 -2.398 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.328 13.219 -4.105 1.00 0.00 C ATOM 1290 CG ASP A 91 -4.821 13.619 -2.723 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -4.955 14.835 -2.470 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.075 12.716 -1.899 1.00 0.00 O ATOM 0 H ASP A 91 -1.375 12.277 -3.475 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.718 13.941 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.900 13.761 -4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.523 12.158 -4.259 1.00 0.00 H new ATOM 1297 N PRO A 92 -2.613 15.716 -3.266 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.126 16.667 -2.258 1.00 0.00 C ATOM 1299 C PRO A 92 -2.663 16.318 -0.872 1.00 0.00 C ATOM 1300 O PRO A 92 -3.146 17.175 -0.131 1.00 0.00 O ATOM 1301 CB PRO A 92 -2.672 18.017 -2.748 1.00 0.00 C ATOM 1302 CG PRO A 92 -3.039 17.779 -4.178 1.00 0.00 C ATOM 1303 CD PRO A 92 -3.488 16.351 -4.238 1.00 0.00 C ATOM 0 HA PRO A 92 -1.041 16.664 -2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.537 18.330 -2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.924 18.804 -2.657 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.832 18.455 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.188 17.952 -4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.539 16.243 -3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.366 15.927 -5.235 1.00 0.00 H new ATOM 1311 N SER A 93 -2.577 15.032 -0.554 1.00 0.00 N ATOM 1312 CA SER A 93 -3.040 14.482 0.707 1.00 0.00 C ATOM 1313 C SER A 93 -2.078 13.391 1.179 1.00 0.00 C ATOM 1314 O SER A 93 -1.798 13.257 2.370 1.00 0.00 O ATOM 1315 CB SER A 93 -4.426 13.878 0.508 1.00 0.00 C ATOM 1316 OG SER A 93 -4.353 12.467 0.411 1.00 0.00 O ATOM 0 H SER A 93 -2.176 14.333 -1.179 1.00 0.00 H new ATOM 0 HA SER A 93 -3.082 15.274 1.455 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.071 14.156 1.341 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.878 14.286 -0.396 1.00 0.00 H new ATOM 0 HG SER A 93 -4.772 12.174 -0.425 1.00 0.00 H new ATOM 1322 N MET A 94 -1.584 12.615 0.214 1.00 0.00 N ATOM 1323 CA MET A 94 -0.657 11.526 0.468 1.00 0.00 C ATOM 1324 C MET A 94 0.700 11.865 -0.118 1.00 0.00 C ATOM 1325 O MET A 94 1.343 11.032 -0.757 1.00 0.00 O ATOM 1326 CB MET A 94 -1.181 10.250 -0.182 1.00 0.00 C ATOM 1327 CG MET A 94 -2.413 9.678 0.493 1.00 0.00 C ATOM 1328 SD MET A 94 -3.481 8.813 -0.668 1.00 0.00 S ATOM 1329 CE MET A 94 -2.250 7.998 -1.683 1.00 0.00 C ATOM 0 H MET A 94 -1.821 12.730 -0.771 1.00 0.00 H new ATOM 0 HA MET A 94 -0.562 11.377 1.544 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.413 10.455 -1.227 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.392 9.498 -0.173 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.107 8.993 1.284 1.00 0.00 H new ATOM 0 HG3 MET A 94 -2.972 10.484 0.968 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.694 7.718 -2.638 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.414 8.676 -1.856 1.00 0.00 H new ATOM 0 HE3 MET A 94 -1.892 7.103 -1.173 1.00 0.00 H new ATOM 1339 N ASP A 95 1.122 13.100 0.090 1.00 0.00 N ATOM 1340 CA ASP A 95 2.372 13.570 -0.417 1.00 0.00 C ATOM 1341 C ASP A 95 3.454 13.319 0.611 1.00 0.00 C ATOM 1342 O ASP A 95 3.315 13.703 1.768 1.00 0.00 O ATOM 1343 CB ASP A 95 2.250 15.055 -0.773 1.00 0.00 C ATOM 1344 CG ASP A 95 0.827 15.435 -1.140 1.00 0.00 C ATOM 1345 OD1 ASP A 95 0.447 15.237 -2.312 1.00 0.00 O ATOM 1346 OD2 ASP A 95 0.095 15.926 -0.254 1.00 0.00 O ATOM 0 H ASP A 95 0.596 13.797 0.618 1.00 0.00 H new ATOM 0 HA ASP A 95 2.644 13.032 -1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.580 15.659 0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.913 15.284 -1.607 1.00 0.00 H new ATOM 1351 N GLY A 96 4.498 12.612 0.207 1.00 0.00 N ATOM 1352 CA GLY A 96 5.529 12.267 1.153 1.00 0.00 C ATOM 1353 C GLY A 96 5.031 11.132 2.010 1.00 0.00 C ATOM 1354 O GLY A 96 5.415 10.996 3.168 1.00 0.00 O ATOM 0 H GLY A 96 4.646 12.277 -0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.440 11.976 0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.778 13.128 1.773 1.00 0.00 H new ATOM 1358 N LEU A 97 4.126 10.340 1.424 1.00 0.00 N ATOM 1359 CA LEU A 97 3.501 9.223 2.116 1.00 0.00 C ATOM 1360 C LEU A 97 4.457 8.064 2.323 1.00 0.00 C ATOM 1361 O LEU A 97 5.425 7.890 1.588 1.00 0.00 O ATOM 1362 CB LEU A 97 2.240 8.771 1.372 1.00 0.00 C ATOM 1363 CG LEU A 97 2.402 7.567 0.443 1.00 0.00 C ATOM 1364 CD1 LEU A 97 1.632 6.374 0.988 1.00 0.00 C ATOM 1365 CD2 LEU A 97 1.924 7.920 -0.958 1.00 0.00 C ATOM 0 H LEU A 97 3.812 10.460 0.461 1.00 0.00 H new ATOM 0 HA LEU A 97 3.216 9.574 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.473 8.535 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.869 9.611 0.784 1.00 0.00 H new ATOM 0 HG LEU A 97 3.457 7.299 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.756 5.524 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.013 6.115 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.574 6.627 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.044 7.056 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.873 8.205 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.513 8.752 -1.345 1.00 0.00 H new ATOM 1377 N ILE A 98 4.187 7.293 3.363 1.00 0.00 N ATOM 1378 CA ILE A 98 5.036 6.166 3.712 1.00 0.00 C ATOM 1379 C ILE A 98 4.320 4.836 3.554 1.00 0.00 C ATOM 1380 O ILE A 98 3.166 4.683 3.945 1.00 0.00 O ATOM 1381 CB ILE A 98 5.561 6.282 5.144 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.341 7.574 5.304 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.409 5.085 5.526 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.462 8.766 5.087 1.00 0.00 C ATOM 0 H ILE A 98 3.386 7.427 3.981 1.00 0.00 H new ATOM 0 HA ILE A 98 5.874 6.195 3.016 1.00 0.00 H new ATOM 0 HB ILE A 98 4.707 6.299 5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.778 7.617 6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.167 7.594 4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.764 5.203 6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.811 4.177 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.262 5.014 4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.048 9.677 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.046 8.733 4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.651 8.757 5.815 1.00 0.00 H new ATOM 1396 N VAL A 99 5.005 3.870 2.976 1.00 0.00 N ATOM 1397 CA VAL A 99 4.413 2.571 2.785 1.00 0.00 C ATOM 1398 C VAL A 99 5.218 1.449 3.433 1.00 0.00 C ATOM 1399 O VAL A 99 6.445 1.495 3.471 1.00 0.00 O ATOM 1400 CB VAL A 99 4.201 2.256 1.318 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.881 1.548 1.182 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.237 3.522 0.474 1.00 0.00 C ATOM 0 H VAL A 99 5.962 3.962 2.635 1.00 0.00 H new ATOM 0 HA VAL A 99 3.445 2.621 3.283 1.00 0.00 H new ATOM 0 HB VAL A 99 5.005 1.616 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.703 1.309 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.900 0.628 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.083 2.194 1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.082 3.265 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.449 4.200 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.206 4.009 0.589 1.00 0.00 H new ATOM 1412 N ARG A 100 4.511 0.435 3.941 1.00 0.00 N ATOM 1413 CA ARG A 100 5.153 -0.706 4.592 1.00 0.00 C ATOM 1414 C ARG A 100 4.550 -2.026 4.117 1.00 0.00 C ATOM 1415 O ARG A 100 3.452 -2.054 3.560 1.00 0.00 O ATOM 1416 CB ARG A 100 5.017 -0.599 6.116 1.00 0.00 C ATOM 1417 CG ARG A 100 5.821 0.535 6.733 1.00 0.00 C ATOM 1418 CD ARG A 100 5.676 0.560 8.246 1.00 0.00 C ATOM 1419 NE ARG A 100 6.974 0.580 8.919 1.00 0.00 N ATOM 1420 CZ ARG A 100 7.190 0.066 10.127 1.00 0.00 C ATOM 1421 NH1 ARG A 100 6.198 -0.499 10.800 1.00 0.00 N ATOM 1422 NH2 ARG A 100 8.403 0.116 10.662 1.00 0.00 N ATOM 0 H ARG A 100 3.493 0.383 3.913 1.00 0.00 H new ATOM 0 HA ARG A 100 6.209 -0.690 4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.965 -0.463 6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.333 -1.540 6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.873 0.423 6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.488 1.486 6.318 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.101 1.438 8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.112 -0.314 8.571 1.00 0.00 H new ATOM 0 HE ARG A 100 7.760 1.013 8.434 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.264 -0.541 10.392 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.368 -0.892 11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.170 0.549 10.147 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.569 -0.278 11.588 1.00 0.00 H new ATOM 1436 N VAL A 101 5.276 -3.122 4.346 1.00 0.00 N ATOM 1437 CA VAL A 101 4.812 -4.445 3.943 1.00 0.00 C ATOM 1438 C VAL A 101 4.870 -5.428 5.109 1.00 0.00 C ATOM 1439 O VAL A 101 5.835 -5.447 5.875 1.00 0.00 O ATOM 1440 CB VAL A 101 5.650 -4.999 2.778 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.039 -6.284 2.242 1.00 0.00 C ATOM 1442 CG2 VAL A 101 5.781 -3.960 1.675 1.00 0.00 C ATOM 0 H VAL A 101 6.186 -3.117 4.808 1.00 0.00 H new ATOM 0 HA VAL A 101 3.778 -4.333 3.618 1.00 0.00 H new ATOM 0 HB VAL A 101 6.649 -5.229 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.646 -6.660 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.004 -7.029 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.028 -6.085 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.377 -4.369 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.791 -3.696 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.270 -3.069 2.070 1.00 0.00 H new ATOM 1452 N PRO A 102 3.829 -6.262 5.257 1.00 0.00 N ATOM 1453 CA PRO A 102 3.752 -7.256 6.332 1.00 0.00 C ATOM 1454 C PRO A 102 4.745 -8.397 6.145 1.00 0.00 C ATOM 1455 O PRO A 102 5.538 -8.399 5.203 1.00 0.00 O ATOM 1456 CB PRO A 102 2.317 -7.777 6.233 1.00 0.00 C ATOM 1457 CG PRO A 102 1.930 -7.550 4.813 1.00 0.00 C ATOM 1458 CD PRO A 102 2.643 -6.297 4.384 1.00 0.00 C ATOM 0 HA PRO A 102 3.998 -6.823 7.301 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.260 -8.834 6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.654 -7.244 6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.219 -8.396 4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.850 -7.437 4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.921 -6.334 3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.019 -5.414 4.519 1.00 0.00 H new