USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 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 180:sc= 0.00826 USER MOD Set 1.2: A 86 CYS SG : rot 54:sc=-0.00258 USER MOD Set 2.1: A 79 THR OG1 : rot 85:sc= -1.38! USER MOD Set 2.2: A 82 THR OG1 : rot 83:sc= -0.019 USER MOD Set 3.1: A 68 ASN :FLIP amide:sc= -0.623 F(o=-3.7,f=-0.98) USER MOD Set 3.2: A 78 MET CE :methyl -167:sc= -0.357 (180deg=-1.01) USER MOD Set 4.1: A 39 CYS SG : rot -86:sc= 0.0179 USER MOD Set 4.2: A 45 CYS SG : rot 127:sc= 0.0876 USER MOD Set 4.3: A 47 THR OG1 : rot 180:sc= 0.611 USER MOD Set 5.1: A 18 GLN : amide:sc= 0.727 K(o=0.54,f=-4.5) USER MOD Set 5.2: A 21 GLN :FLIP amide:sc= -0.187 F(o=-3.6,f=0.54) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -1.36! USER MOD Single : A 22 SER OG : rot 131:sc= 0.627 USER MOD Single : A 24 MET CE :methyl 165:sc= -1.9 (180deg=-2.67!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc=-0.00835 X(o=-0.0084,f=0) USER MOD Single : A 30 ASN : amide:sc= -29.7! C(o=-30!,f=-31!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -5.63! C(o=-5.6!,f=-12!) USER MOD Single : A 72 GLN : amide:sc=-0.00149 X(o=-0.0015,f=0) USER MOD Single : A 73 SER OG : rot -65:sc= 0.141 USER MOD Single : A 74 THR OG1 : rot -108:sc= 1.15 USER MOD Single : A 85 SER OG : rot -82:sc= -2.23! USER MOD Single : A 87 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4.7!) USER MOD Single : A 93 SER OG : rot 177:sc= -3.06! USER MOD Single : A 94 MET CE :methyl 161:sc= -3.59! (180deg=-5.22!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.887 13.732 -4.953 1.00 0.00 N ATOM 2 CA PRO A 1 4.378 13.816 -3.547 1.00 0.00 C ATOM 3 C PRO A 1 5.653 13.044 -3.317 1.00 0.00 C ATOM 4 O PRO A 1 6.339 12.632 -4.250 1.00 0.00 O ATOM 5 CB PRO A 1 3.294 13.210 -2.679 1.00 0.00 C ATOM 6 CG PRO A 1 2.098 13.387 -3.500 1.00 0.00 C ATOM 7 CD PRO A 1 2.576 13.045 -4.882 1.00 0.00 C ATOM 0 H2 PRO A 1 4.541 13.213 -5.539 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.792 14.661 -5.364 1.00 0.00 H new ATOM 0 HA PRO A 1 4.593 14.859 -3.313 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.487 12.159 -2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.208 13.722 -1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.289 12.730 -3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.720 14.408 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.675 11.968 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.889 13.404 -5.648 1.00 0.00 H new ATOM 17 N ARG A 2 5.919 12.832 -2.042 1.00 0.00 N ATOM 18 CA ARG A 2 7.080 12.068 -1.594 1.00 0.00 C ATOM 19 C ARG A 2 6.566 10.790 -0.951 1.00 0.00 C ATOM 20 O ARG A 2 5.386 10.723 -0.611 1.00 0.00 O ATOM 21 CB ARG A 2 7.899 12.889 -0.593 1.00 0.00 C ATOM 22 CG ARG A 2 9.124 12.168 -0.055 1.00 0.00 C ATOM 23 CD ARG A 2 10.331 12.370 -0.956 1.00 0.00 C ATOM 24 NE ARG A 2 10.930 13.692 -0.784 1.00 0.00 N ATOM 25 CZ ARG A 2 10.794 14.698 -1.650 1.00 0.00 C ATOM 26 NH1 ARG A 2 10.063 14.555 -2.750 1.00 0.00 N ATOM 27 NH2 ARG A 2 11.390 15.858 -1.410 1.00 0.00 N ATOM 0 H ARG A 2 5.337 13.184 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 2 7.733 11.830 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.217 13.815 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.258 13.167 0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.351 12.533 0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.910 11.103 0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.076 11.604 -0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.032 12.240 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 2 11.489 13.856 0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.597 13.668 -2.941 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.967 15.332 -3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.950 15.979 -0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.289 16.630 -2.069 1.00 0.00 H new ATOM 41 N VAL A 3 7.386 9.755 -0.804 1.00 0.00 N ATOM 42 CA VAL A 3 6.865 8.549 -0.226 1.00 0.00 C ATOM 43 C VAL A 3 7.952 7.658 0.352 1.00 0.00 C ATOM 44 O VAL A 3 9.142 7.895 0.170 1.00 0.00 O ATOM 45 CB VAL A 3 6.028 7.831 -1.296 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.154 6.346 -1.275 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.592 8.160 -1.124 1.00 0.00 C ATOM 0 H VAL A 3 8.371 9.735 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 3 6.233 8.802 0.625 1.00 0.00 H new ATOM 0 HB VAL A 3 6.419 8.186 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.532 5.917 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.194 6.067 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.828 5.967 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.007 7.646 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.261 7.839 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.451 9.236 -1.222 1.00 0.00 H new ATOM 57 N VAL A 4 7.532 6.626 1.057 1.00 0.00 N ATOM 58 CA VAL A 4 8.489 5.708 1.649 1.00 0.00 C ATOM 59 C VAL A 4 7.909 4.325 1.852 1.00 0.00 C ATOM 60 O VAL A 4 7.064 4.106 2.702 1.00 0.00 O ATOM 61 CB VAL A 4 9.075 6.245 2.969 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.675 5.118 3.798 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.126 7.291 2.660 1.00 0.00 C ATOM 0 H VAL A 4 6.552 6.403 1.233 1.00 0.00 H new ATOM 0 HA VAL A 4 9.305 5.626 0.930 1.00 0.00 H new ATOM 0 HB VAL A 4 8.273 6.696 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.082 5.524 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.901 4.386 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.472 4.635 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.543 7.674 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.921 6.843 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.671 8.110 2.103 1.00 0.00 H new ATOM 73 N PHE A 5 8.411 3.398 1.063 1.00 0.00 N ATOM 74 CA PHE A 5 7.988 2.006 1.115 1.00 0.00 C ATOM 75 C PHE A 5 8.920 1.189 2.009 1.00 0.00 C ATOM 76 O PHE A 5 9.920 1.697 2.516 1.00 0.00 O ATOM 77 CB PHE A 5 8.057 1.404 -0.277 1.00 0.00 C ATOM 78 CG PHE A 5 7.022 1.855 -1.271 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.395 3.107 -1.223 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.704 1.002 -2.310 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.480 3.457 -2.195 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.803 1.340 -3.264 1.00 0.00 C ATOM 83 CZ PHE A 5 5.180 2.567 -3.214 1.00 0.00 C ATOM 0 H PHE A 5 9.128 3.586 0.362 1.00 0.00 H new ATOM 0 HA PHE A 5 6.972 1.979 1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.041 1.622 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.984 0.321 -0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.628 3.798 -0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.188 0.038 -2.364 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.998 4.423 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.574 0.649 -4.062 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.457 2.836 -3.970 1.00 0.00 H new ATOM 93 N ILE A 6 8.588 -0.089 2.170 1.00 0.00 N ATOM 94 CA ILE A 6 9.374 -1.012 2.964 1.00 0.00 C ATOM 95 C ILE A 6 9.188 -2.444 2.479 1.00 0.00 C ATOM 96 O ILE A 6 8.275 -2.735 1.707 1.00 0.00 O ATOM 97 CB ILE A 6 8.983 -0.965 4.439 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.527 0.429 4.821 1.00 0.00 C ATOM 99 CG2 ILE A 6 10.161 -1.390 5.264 1.00 0.00 C ATOM 100 CD1 ILE A 6 9.656 1.398 5.052 1.00 0.00 C ATOM 0 H ILE A 6 7.760 -0.510 1.748 1.00 0.00 H new ATOM 0 HA ILE A 6 10.414 -0.704 2.851 1.00 0.00 H new ATOM 0 HB ILE A 6 8.151 -1.645 4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.882 0.818 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.923 0.368 5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.895 -1.361 6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.450 -2.405 4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.996 -0.714 5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.249 2.373 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.289 1.033 5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.248 1.491 4.141 1.00 0.00 H new ATOM 112 N ASP A 7 10.044 -3.339 2.956 1.00 0.00 N ATOM 113 CA ASP A 7 9.959 -4.746 2.591 1.00 0.00 C ATOM 114 C ASP A 7 10.900 -5.583 3.441 1.00 0.00 C ATOM 115 O ASP A 7 11.759 -5.063 4.145 1.00 0.00 O ATOM 116 CB ASP A 7 10.262 -4.946 1.109 1.00 0.00 C ATOM 117 CG ASP A 7 10.374 -6.403 0.712 1.00 0.00 C ATOM 118 OD1 ASP A 7 9.380 -7.141 0.879 1.00 0.00 O ATOM 119 OD2 ASP A 7 11.456 -6.808 0.237 1.00 0.00 O ATOM 0 H ASP A 7 10.805 -3.115 3.597 1.00 0.00 H new ATOM 0 HA ASP A 7 8.938 -5.077 2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.477 -4.475 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.194 -4.437 0.864 1.00 0.00 H new ATOM 124 N GLU A 8 10.710 -6.881 3.373 1.00 0.00 N ATOM 125 CA GLU A 8 11.516 -7.827 4.142 1.00 0.00 C ATOM 126 C GLU A 8 12.852 -8.130 3.466 1.00 0.00 C ATOM 127 O GLU A 8 13.733 -8.743 4.070 1.00 0.00 O ATOM 128 CB GLU A 8 10.740 -9.126 4.350 1.00 0.00 C ATOM 129 CG GLU A 8 10.977 -9.767 5.706 1.00 0.00 C ATOM 130 CD GLU A 8 11.642 -11.126 5.601 1.00 0.00 C ATOM 131 OE1 GLU A 8 11.525 -11.761 4.532 1.00 0.00 O ATOM 132 OE2 GLU A 8 12.280 -11.554 6.585 1.00 0.00 O ATOM 0 H GLU A 8 9.998 -7.318 2.788 1.00 0.00 H new ATOM 0 HA GLU A 8 11.730 -7.363 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.675 -8.925 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.018 -9.834 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.599 -9.108 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.025 -9.872 6.226 1.00 0.00 H new ATOM 139 N GLN A 9 13.000 -7.712 2.215 1.00 0.00 N ATOM 140 CA GLN A 9 14.234 -7.960 1.477 1.00 0.00 C ATOM 141 C GLN A 9 15.232 -6.823 1.671 1.00 0.00 C ATOM 142 O GLN A 9 16.443 -7.045 1.695 1.00 0.00 O ATOM 143 CB GLN A 9 13.937 -8.143 -0.012 1.00 0.00 C ATOM 144 CG GLN A 9 13.039 -9.333 -0.311 1.00 0.00 C ATOM 145 CD GLN A 9 13.821 -10.615 -0.525 1.00 0.00 C ATOM 146 OE1 GLN A 9 14.173 -10.959 -1.653 1.00 0.00 O ATOM 147 NE2 GLN A 9 14.094 -11.330 0.560 1.00 0.00 N ATOM 0 H GLN A 9 12.287 -7.203 1.692 1.00 0.00 H new ATOM 0 HA GLN A 9 14.678 -8.875 1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.466 -7.237 -0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.878 -8.264 -0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.340 -9.472 0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.445 -9.121 -1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.782 -11.006 1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 9 14.615 -12.203 0.478 1.00 0.00 H new ATOM 156 N SER A 10 14.720 -5.605 1.808 1.00 0.00 N ATOM 157 CA SER A 10 15.574 -4.436 1.997 1.00 0.00 C ATOM 158 C SER A 10 15.243 -3.721 3.302 1.00 0.00 C ATOM 159 O SER A 10 16.091 -3.037 3.877 1.00 0.00 O ATOM 160 CB SER A 10 15.421 -3.469 0.824 1.00 0.00 C ATOM 161 OG SER A 10 16.677 -3.182 0.232 1.00 0.00 O ATOM 0 H SER A 10 13.721 -5.401 1.792 1.00 0.00 H new ATOM 0 HA SER A 10 16.607 -4.781 2.044 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.754 -3.900 0.078 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.958 -2.544 1.169 1.00 0.00 H new ATOM 0 HG SER A 10 16.552 -2.563 -0.517 1.00 0.00 H new ATOM 167 N GLY A 11 14.009 -3.883 3.764 1.00 0.00 N ATOM 168 CA GLY A 11 13.593 -3.246 4.998 1.00 0.00 C ATOM 169 C GLY A 11 13.317 -1.768 4.834 1.00 0.00 C ATOM 170 O GLY A 11 13.260 -1.024 5.814 1.00 0.00 O ATOM 0 H GLY A 11 13.290 -4.444 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.695 -3.739 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.368 -3.384 5.752 1.00 0.00 H new ATOM 174 N GLU A 12 13.124 -1.352 3.595 1.00 0.00 N ATOM 175 CA GLU A 12 12.826 0.041 3.288 1.00 0.00 C ATOM 176 C GLU A 12 12.929 0.313 1.803 1.00 0.00 C ATOM 177 O GLU A 12 13.827 -0.183 1.124 1.00 0.00 O ATOM 178 CB GLU A 12 13.746 0.992 4.035 1.00 0.00 C ATOM 179 CG GLU A 12 13.645 2.417 3.519 1.00 0.00 C ATOM 180 CD GLU A 12 14.403 3.409 4.381 1.00 0.00 C ATOM 181 OE1 GLU A 12 15.556 3.110 4.757 1.00 0.00 O ATOM 182 OE2 GLU A 12 13.843 4.485 4.678 1.00 0.00 O ATOM 0 H GLU A 12 13.168 -1.961 2.778 1.00 0.00 H new ATOM 0 HA GLU A 12 11.801 0.217 3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.499 0.974 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.775 0.646 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.031 2.458 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.596 2.709 3.474 1.00 0.00 H new ATOM 189 N TYR A 13 11.994 1.103 1.308 1.00 0.00 N ATOM 190 CA TYR A 13 11.959 1.447 -0.097 1.00 0.00 C ATOM 191 C TYR A 13 11.482 2.885 -0.292 1.00 0.00 C ATOM 192 O TYR A 13 10.477 3.141 -0.954 1.00 0.00 O ATOM 193 CB TYR A 13 11.068 0.454 -0.825 1.00 0.00 C ATOM 194 CG TYR A 13 11.749 -0.876 -1.024 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.989 -1.720 0.056 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.166 -1.281 -2.281 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.629 -2.937 -0.115 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.806 -2.488 -2.469 1.00 0.00 C ATOM 199 CZ TYR A 13 13.040 -3.317 -1.385 1.00 0.00 C ATOM 200 OH TYR A 13 13.677 -4.523 -1.571 1.00 0.00 O ATOM 0 H TYR A 13 11.246 1.519 1.863 1.00 0.00 H new ATOM 0 HA TYR A 13 12.964 1.389 -0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.148 0.309 -0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.784 0.864 -1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.671 -1.421 1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.986 -0.639 -3.131 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.806 -3.584 0.732 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.123 -2.785 -3.458 1.00 0.00 H new ATOM 0 HH TYR A 13 13.896 -4.634 -2.520 1.00 0.00 H new ATOM 210 N ALA A 14 12.227 3.816 0.303 1.00 0.00 N ATOM 211 CA ALA A 14 11.913 5.241 0.219 1.00 0.00 C ATOM 212 C ALA A 14 11.652 5.661 -1.213 1.00 0.00 C ATOM 213 O ALA A 14 12.330 5.213 -2.138 1.00 0.00 O ATOM 214 CB ALA A 14 13.042 6.066 0.817 1.00 0.00 C ATOM 0 H ALA A 14 13.060 3.605 0.853 1.00 0.00 H new ATOM 0 HA ALA A 14 11.003 5.421 0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.795 7.125 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.178 5.793 1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 14 13.964 5.872 0.269 1.00 0.00 H new ATOM 220 N VAL A 15 10.651 6.513 -1.397 1.00 0.00 N ATOM 221 CA VAL A 15 10.296 6.971 -2.722 1.00 0.00 C ATOM 222 C VAL A 15 9.436 8.215 -2.689 1.00 0.00 C ATOM 223 O VAL A 15 9.445 8.982 -1.733 1.00 0.00 O ATOM 224 CB VAL A 15 9.594 5.840 -3.502 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.132 5.640 -3.082 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.719 6.068 -5.004 1.00 0.00 C ATOM 0 H VAL A 15 10.077 6.896 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 15 11.219 7.241 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 15 10.107 4.912 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.693 4.831 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.089 5.387 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.574 6.559 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.218 5.260 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.256 7.019 -5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.773 6.088 -5.283 1.00 0.00 H new ATOM 236 N ASP A 16 8.719 8.405 -3.761 1.00 0.00 N ATOM 237 CA ASP A 16 7.846 9.517 -3.942 1.00 0.00 C ATOM 238 C ASP A 16 6.749 9.093 -4.868 1.00 0.00 C ATOM 239 O ASP A 16 6.856 8.076 -5.541 1.00 0.00 O ATOM 240 CB ASP A 16 8.562 10.668 -4.592 1.00 0.00 C ATOM 241 CG ASP A 16 10.047 10.715 -4.282 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.416 10.556 -3.102 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.843 10.911 -5.225 1.00 0.00 O ATOM 0 H ASP A 16 8.731 7.765 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 16 7.471 9.831 -2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.427 10.605 -5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.102 11.601 -4.267 1.00 0.00 H new ATOM 248 N ALA A 17 5.703 9.856 -4.906 1.00 0.00 N ATOM 249 CA ALA A 17 4.598 9.521 -5.756 1.00 0.00 C ATOM 250 C ALA A 17 3.998 10.739 -6.439 1.00 0.00 C ATOM 251 O ALA A 17 4.503 11.853 -6.313 1.00 0.00 O ATOM 252 CB ALA A 17 3.587 8.819 -4.905 1.00 0.00 C ATOM 0 H ALA A 17 5.588 10.712 -4.363 1.00 0.00 H new ATOM 0 HA ALA A 17 4.939 8.877 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.726 8.545 -5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.031 7.919 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.266 9.481 -4.100 1.00 0.00 H new ATOM 258 N GLN A 18 2.915 10.506 -7.161 1.00 0.00 N ATOM 259 CA GLN A 18 2.210 11.565 -7.874 1.00 0.00 C ATOM 260 C GLN A 18 0.709 11.408 -7.672 1.00 0.00 C ATOM 261 O GLN A 18 0.142 10.361 -7.983 1.00 0.00 O ATOM 262 CB GLN A 18 2.542 11.522 -9.367 1.00 0.00 C ATOM 263 CG GLN A 18 3.985 11.147 -9.662 1.00 0.00 C ATOM 264 CD GLN A 18 4.225 10.882 -11.136 1.00 0.00 C ATOM 265 OE1 GLN A 18 4.654 9.794 -11.521 1.00 0.00 O ATOM 266 NE2 GLN A 18 3.947 11.878 -11.969 1.00 0.00 N ATOM 0 H GLN A 18 2.498 9.581 -7.271 1.00 0.00 H new ATOM 0 HA GLN A 18 2.531 12.528 -7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.882 10.805 -9.856 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.333 12.498 -9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.642 11.951 -9.329 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.251 10.259 -9.088 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.593 12.763 -11.606 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.087 11.758 -12.972 1.00 0.00 H new ATOM 275 N ASP A 19 0.066 12.439 -7.138 1.00 0.00 N ATOM 276 CA ASP A 19 -1.371 12.370 -6.893 1.00 0.00 C ATOM 277 C ASP A 19 -2.073 11.704 -8.058 1.00 0.00 C ATOM 278 O ASP A 19 -2.059 12.201 -9.184 1.00 0.00 O ATOM 279 CB ASP A 19 -1.977 13.748 -6.602 1.00 0.00 C ATOM 280 CG ASP A 19 -0.940 14.792 -6.234 1.00 0.00 C ATOM 281 OD1 ASP A 19 -0.029 15.039 -7.053 1.00 0.00 O ATOM 282 OD2 ASP A 19 -1.037 15.362 -5.127 1.00 0.00 O ATOM 0 H ASP A 19 0.506 13.319 -6.870 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.522 11.765 -5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.529 14.087 -7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.696 13.657 -5.788 1.00 0.00 H new ATOM 287 N GLY A 20 -2.669 10.557 -7.772 1.00 0.00 N ATOM 288 CA GLY A 20 -3.356 9.802 -8.790 1.00 0.00 C ATOM 289 C GLY A 20 -2.776 8.411 -8.951 1.00 0.00 C ATOM 290 O GLY A 20 -3.276 7.619 -9.750 1.00 0.00 O ATOM 0 H GLY A 20 -2.687 10.135 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.413 9.727 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.294 10.333 -9.740 1.00 0.00 H new ATOM 294 N GLN A 21 -1.725 8.099 -8.185 1.00 0.00 N ATOM 295 CA GLN A 21 -1.111 6.781 -8.262 1.00 0.00 C ATOM 296 C GLN A 21 -1.034 6.157 -6.881 1.00 0.00 C ATOM 297 O GLN A 21 -1.107 6.856 -5.870 1.00 0.00 O ATOM 298 CB GLN A 21 0.287 6.864 -8.869 1.00 0.00 C ATOM 299 CG GLN A 21 0.453 7.992 -9.875 1.00 0.00 C ATOM 300 CD GLN A 21 1.902 8.273 -10.204 1.00 0.00 C ATOM 301 OE1 GLN A 21 2.732 8.287 -9.179 1.00 0.00 O flip ATOM 302 NE2 GLN A 21 2.264 8.472 -11.364 1.00 0.00 N flip ATOM 0 H GLN A 21 -1.291 8.735 -7.516 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.731 6.157 -8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.014 6.995 -8.067 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.518 5.917 -9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.080 7.738 -10.791 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.007 8.897 -9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.582 8.450 -12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.246 8.658 -11.567 1.00 0.00 H new ATOM 311 N SER A 22 -0.894 4.841 -6.836 1.00 0.00 N ATOM 312 CA SER A 22 -0.817 4.142 -5.565 1.00 0.00 C ATOM 313 C SER A 22 0.618 3.756 -5.239 1.00 0.00 C ATOM 314 O SER A 22 1.561 4.249 -5.857 1.00 0.00 O ATOM 315 CB SER A 22 -1.695 2.890 -5.586 1.00 0.00 C ATOM 316 OG SER A 22 -1.202 1.940 -6.515 1.00 0.00 O ATOM 0 H SER A 22 -0.832 4.241 -7.658 1.00 0.00 H new ATOM 0 HA SER A 22 -1.179 4.820 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.728 2.447 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.717 3.163 -5.847 1.00 0.00 H new ATOM 0 HG SER A 22 -1.139 1.062 -6.083 1.00 0.00 H new ATOM 322 N LEU A 23 0.774 2.863 -4.268 1.00 0.00 N ATOM 323 CA LEU A 23 2.102 2.406 -3.871 1.00 0.00 C ATOM 324 C LEU A 23 2.625 1.377 -4.868 1.00 0.00 C ATOM 325 O LEU A 23 3.829 1.174 -5.007 1.00 0.00 O ATOM 326 CB LEU A 23 2.065 1.795 -2.462 1.00 0.00 C ATOM 327 CG LEU A 23 2.914 0.527 -2.263 1.00 0.00 C ATOM 328 CD1 LEU A 23 3.706 0.607 -0.976 1.00 0.00 C ATOM 329 CD2 LEU A 23 2.030 -0.709 -2.269 1.00 0.00 C ATOM 0 H LEU A 23 0.005 2.444 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 23 2.772 3.266 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.399 2.549 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.030 1.560 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 23 3.619 0.454 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.298 -0.300 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.369 1.472 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.022 0.707 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.646 -1.597 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.302 -0.639 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.508 -0.778 -3.223 1.00 0.00 H new ATOM 341 N MET A 24 1.707 0.716 -5.542 1.00 0.00 N ATOM 342 CA MET A 24 2.066 -0.318 -6.504 1.00 0.00 C ATOM 343 C MET A 24 2.865 0.260 -7.657 1.00 0.00 C ATOM 344 O MET A 24 3.840 -0.342 -8.108 1.00 0.00 O ATOM 345 CB MET A 24 0.826 -1.039 -7.031 1.00 0.00 C ATOM 346 CG MET A 24 1.039 -2.535 -7.197 1.00 0.00 C ATOM 347 SD MET A 24 -0.500 -3.444 -7.413 1.00 0.00 S ATOM 348 CE MET A 24 -0.267 -4.118 -9.055 1.00 0.00 C ATOM 0 H MET A 24 0.704 0.873 -5.445 1.00 0.00 H new ATOM 0 HA MET A 24 2.689 -1.044 -5.982 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.005 -0.869 -6.347 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.542 -0.609 -7.991 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.683 -2.711 -8.059 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.563 -2.921 -6.323 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.995 -4.910 -9.230 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.404 -3.329 -9.795 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.740 -4.526 -9.141 1.00 0.00 H new ATOM 358 N GLU A 25 2.459 1.426 -8.131 1.00 0.00 N ATOM 359 CA GLU A 25 3.164 2.059 -9.227 1.00 0.00 C ATOM 360 C GLU A 25 4.457 2.652 -8.743 1.00 0.00 C ATOM 361 O GLU A 25 5.494 2.490 -9.386 1.00 0.00 O ATOM 362 CB GLU A 25 2.299 3.118 -9.908 1.00 0.00 C ATOM 363 CG GLU A 25 2.926 3.703 -11.162 1.00 0.00 C ATOM 364 CD GLU A 25 1.902 4.327 -12.088 1.00 0.00 C ATOM 365 OE1 GLU A 25 0.812 3.740 -12.250 1.00 0.00 O ATOM 366 OE2 GLU A 25 2.190 5.404 -12.651 1.00 0.00 O ATOM 0 H GLU A 25 1.655 1.946 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 25 3.390 1.294 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.336 2.677 -10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.102 3.924 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.661 4.456 -10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.463 2.918 -11.695 1.00 0.00 H new ATOM 373 N VAL A 26 4.426 3.305 -7.597 1.00 0.00 N ATOM 374 CA VAL A 26 5.653 3.847 -7.078 1.00 0.00 C ATOM 375 C VAL A 26 6.684 2.743 -7.074 1.00 0.00 C ATOM 376 O VAL A 26 7.711 2.809 -7.737 1.00 0.00 O ATOM 377 CB VAL A 26 5.562 4.365 -5.644 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.389 5.601 -5.510 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.169 4.646 -5.203 1.00 0.00 C ATOM 0 H VAL A 26 3.594 3.466 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 26 5.906 4.693 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 26 5.939 3.573 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.325 5.972 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.427 5.372 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.019 6.363 -6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.179 5.010 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.727 5.402 -5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.579 3.731 -5.258 1.00 0.00 H new ATOM 389 N ALA A 27 6.365 1.715 -6.305 1.00 0.00 N ATOM 390 CA ALA A 27 7.218 0.558 -6.155 1.00 0.00 C ATOM 391 C ALA A 27 8.046 0.287 -7.396 1.00 0.00 C ATOM 392 O ALA A 27 9.257 0.499 -7.413 1.00 0.00 O ATOM 393 CB ALA A 27 6.387 -0.670 -5.831 1.00 0.00 C ATOM 0 H ALA A 27 5.501 1.664 -5.766 1.00 0.00 H new ATOM 0 HA ALA A 27 7.903 0.775 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.042 -1.534 -5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.843 -0.506 -4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.678 -0.853 -6.638 1.00 0.00 H new ATOM 399 N THR A 28 7.380 -0.208 -8.425 1.00 0.00 N ATOM 400 CA THR A 28 8.055 -0.539 -9.667 1.00 0.00 C ATOM 401 C THR A 28 8.950 0.613 -10.102 1.00 0.00 C ATOM 402 O THR A 28 9.962 0.408 -10.773 1.00 0.00 O ATOM 403 CB THR A 28 7.050 -0.880 -10.772 1.00 0.00 C ATOM 404 OG1 THR A 28 6.891 0.211 -11.660 1.00 0.00 O ATOM 405 CG2 THR A 28 5.674 -1.262 -10.264 1.00 0.00 C ATOM 0 H THR A 28 6.376 -0.389 -8.425 1.00 0.00 H new ATOM 0 HA THR A 28 8.672 -1.421 -9.492 1.00 0.00 H new ATOM 0 HB THR A 28 7.477 -1.748 -11.275 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.247 -0.027 -12.359 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.024 -1.488 -11.109 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.754 -2.140 -9.623 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.253 -0.433 -9.694 1.00 0.00 H new ATOM 413 N GLN A 29 8.582 1.823 -9.699 1.00 0.00 N ATOM 414 CA GLN A 29 9.368 3.008 -10.033 1.00 0.00 C ATOM 415 C GLN A 29 10.526 3.191 -9.054 1.00 0.00 C ATOM 416 O GLN A 29 11.583 3.708 -9.415 1.00 0.00 O ATOM 417 CB GLN A 29 8.487 4.260 -10.050 1.00 0.00 C ATOM 418 CG GLN A 29 7.399 4.226 -11.110 1.00 0.00 C ATOM 419 CD GLN A 29 7.446 5.429 -12.031 1.00 0.00 C ATOM 420 OE1 GLN A 29 6.503 6.218 -12.093 1.00 0.00 O ATOM 421 NE2 GLN A 29 8.551 5.576 -12.755 1.00 0.00 N ATOM 0 H GLN A 29 7.748 2.011 -9.143 1.00 0.00 H new ATOM 0 HA GLN A 29 9.781 2.861 -11.031 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.024 4.381 -9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.116 5.134 -10.216 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.501 3.316 -11.701 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.424 4.183 -10.624 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.309 4.898 -12.673 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.641 6.367 -13.393 1.00 0.00 H new ATOM 430 N ASN A 30 10.313 2.771 -7.813 1.00 0.00 N ATOM 431 CA ASN A 30 11.333 2.893 -6.769 1.00 0.00 C ATOM 432 C ASN A 30 12.258 1.680 -6.750 1.00 0.00 C ATOM 433 O ASN A 30 13.107 1.551 -5.868 1.00 0.00 O ATOM 434 CB ASN A 30 10.659 3.025 -5.402 1.00 0.00 C ATOM 435 CG ASN A 30 9.198 3.398 -5.519 1.00 0.00 C ATOM 436 OD1 ASN A 30 8.826 4.151 -6.414 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.374 2.907 -4.609 1.00 0.00 N ATOM 0 H ASN A 30 9.442 2.341 -7.501 1.00 0.00 H new ATOM 0 HA ASN A 30 11.928 3.781 -6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.749 2.083 -4.862 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.179 3.781 -4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.384 3.151 -4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.728 2.284 -3.883 1.00 0.00 H new ATOM 444 N GLY A 31 12.075 0.782 -7.709 1.00 0.00 N ATOM 445 CA GLY A 31 12.890 -0.420 -7.759 1.00 0.00 C ATOM 446 C GLY A 31 12.445 -1.431 -6.721 1.00 0.00 C ATOM 447 O GLY A 31 13.118 -2.433 -6.474 1.00 0.00 O ATOM 0 H GLY A 31 11.380 0.862 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.827 -0.864 -8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.935 -0.160 -7.592 1.00 0.00 H new ATOM 451 N VAL A 32 11.297 -1.149 -6.116 1.00 0.00 N ATOM 452 CA VAL A 32 10.705 -1.992 -5.093 1.00 0.00 C ATOM 453 C VAL A 32 10.334 -3.364 -5.660 1.00 0.00 C ATOM 454 O VAL A 32 10.222 -3.534 -6.874 1.00 0.00 O ATOM 455 CB VAL A 32 9.460 -1.276 -4.538 1.00 0.00 C ATOM 456 CG1 VAL A 32 8.995 -1.829 -3.214 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.731 0.205 -4.391 1.00 0.00 C ATOM 0 H VAL A 32 10.747 -0.317 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 32 11.426 -2.159 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 32 8.662 -1.449 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.115 -1.280 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.744 -2.883 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.790 -1.724 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.843 0.700 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.565 0.356 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.981 0.628 -5.364 1.00 0.00 H new ATOM 467 N PRO A 33 10.162 -4.369 -4.785 1.00 0.00 N ATOM 468 CA PRO A 33 9.830 -5.741 -5.183 1.00 0.00 C ATOM 469 C PRO A 33 8.368 -5.887 -5.594 1.00 0.00 C ATOM 470 O PRO A 33 7.902 -6.989 -5.883 1.00 0.00 O ATOM 471 CB PRO A 33 10.131 -6.560 -3.909 1.00 0.00 C ATOM 472 CG PRO A 33 10.840 -5.610 -2.993 1.00 0.00 C ATOM 473 CD PRO A 33 10.298 -4.269 -3.338 1.00 0.00 C ATOM 0 HA PRO A 33 10.396 -6.067 -6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.213 -6.935 -3.455 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.752 -7.427 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.652 -5.855 -1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.919 -5.650 -3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.343 -4.075 -2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.975 -3.466 -3.045 1.00 0.00 H new ATOM 481 N GLY A 34 7.654 -4.765 -5.624 1.00 0.00 N ATOM 482 CA GLY A 34 6.253 -4.781 -6.007 1.00 0.00 C ATOM 483 C GLY A 34 5.537 -6.036 -5.553 1.00 0.00 C ATOM 484 O GLY A 34 4.596 -6.489 -6.203 1.00 0.00 O ATOM 0 H GLY A 34 8.022 -3.843 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.755 -3.910 -5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.176 -4.696 -7.091 1.00 0.00 H new ATOM 488 N ILE A 35 5.980 -6.594 -4.431 1.00 0.00 N ATOM 489 CA ILE A 35 5.379 -7.802 -3.882 1.00 0.00 C ATOM 490 C ILE A 35 4.858 -8.720 -4.989 1.00 0.00 C ATOM 491 O ILE A 35 5.608 -9.530 -5.536 1.00 0.00 O ATOM 492 CB ILE A 35 4.234 -7.458 -2.911 1.00 0.00 C ATOM 493 CG1 ILE A 35 4.772 -6.655 -1.727 1.00 0.00 C ATOM 494 CG2 ILE A 35 3.542 -8.724 -2.430 1.00 0.00 C ATOM 495 CD1 ILE A 35 5.189 -5.246 -2.092 1.00 0.00 C ATOM 0 H ILE A 35 6.757 -6.226 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 35 6.161 -8.329 -3.335 1.00 0.00 H new ATOM 0 HB ILE A 35 3.500 -6.850 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.007 -6.610 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.627 -7.180 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.736 -8.460 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.131 -9.261 -3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.263 -9.359 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.560 -4.735 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.976 -5.283 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.331 -4.704 -2.490 1.00 0.00 H new ATOM 507 N VAL A 36 3.573 -8.593 -5.317 1.00 0.00 N ATOM 508 CA VAL A 36 2.964 -9.415 -6.359 1.00 0.00 C ATOM 509 C VAL A 36 1.643 -8.813 -6.834 1.00 0.00 C ATOM 510 O VAL A 36 1.053 -7.975 -6.154 1.00 0.00 O ATOM 511 CB VAL A 36 2.707 -10.851 -5.862 1.00 0.00 C ATOM 512 CG1 VAL A 36 4.019 -11.572 -5.599 1.00 0.00 C ATOM 513 CG2 VAL A 36 1.841 -10.838 -4.611 1.00 0.00 C ATOM 0 H VAL A 36 2.935 -7.930 -4.877 1.00 0.00 H new ATOM 0 HA VAL A 36 3.669 -9.444 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 36 2.172 -11.392 -6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.814 -12.584 -5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.600 -11.617 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.585 -11.033 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.671 -11.861 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.346 -10.278 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.885 -10.366 -4.836 1.00 0.00 H new ATOM 523 N ALA A 37 1.185 -9.245 -8.006 1.00 0.00 N ATOM 524 CA ALA A 37 -0.065 -8.746 -8.569 1.00 0.00 C ATOM 525 C ALA A 37 -0.637 -9.715 -9.600 1.00 0.00 C ATOM 526 O ALA A 37 0.041 -10.091 -10.557 1.00 0.00 O ATOM 527 CB ALA A 37 0.152 -7.374 -9.191 1.00 0.00 C ATOM 0 H ALA A 37 1.661 -9.939 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.789 -8.658 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.787 -7.011 -9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.502 -6.680 -8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.897 -7.447 -9.984 1.00 0.00 H new ATOM 533 N GLU A 38 -1.892 -10.113 -9.400 1.00 0.00 N ATOM 534 CA GLU A 38 -2.562 -11.034 -10.312 1.00 0.00 C ATOM 535 C GLU A 38 -3.380 -10.270 -11.348 1.00 0.00 C ATOM 536 O GLU A 38 -3.548 -10.724 -12.480 1.00 0.00 O ATOM 537 CB GLU A 38 -3.468 -11.987 -9.529 1.00 0.00 C ATOM 538 CG GLU A 38 -4.393 -12.810 -10.411 1.00 0.00 C ATOM 539 CD GLU A 38 -5.853 -12.450 -10.220 1.00 0.00 C ATOM 540 OE1 GLU A 38 -6.249 -11.340 -10.633 1.00 0.00 O ATOM 541 OE2 GLU A 38 -6.600 -13.277 -9.656 1.00 0.00 O ATOM 0 H GLU A 38 -2.465 -9.811 -8.612 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.800 -11.614 -10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.848 -12.661 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.069 -11.409 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.120 -12.662 -11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.252 -13.868 -10.192 1.00 0.00 H new ATOM 548 N CYS A 39 -3.883 -9.103 -10.954 1.00 0.00 N ATOM 549 CA CYS A 39 -4.680 -8.271 -11.849 1.00 0.00 C ATOM 550 C CYS A 39 -3.852 -7.101 -12.373 1.00 0.00 C ATOM 551 O CYS A 39 -4.032 -6.657 -13.505 1.00 0.00 O ATOM 552 CB CYS A 39 -5.925 -7.752 -11.127 1.00 0.00 C ATOM 553 SG CYS A 39 -5.642 -6.262 -10.117 1.00 0.00 S ATOM 0 H CYS A 39 -3.752 -8.713 -10.021 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.994 -8.882 -12.695 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.695 -7.534 -11.867 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.314 -8.543 -10.486 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.227 -6.611 -8.935 1.00 0.00 H new ATOM 558 N GLY A 40 -2.942 -6.612 -11.539 1.00 0.00 N ATOM 559 CA GLY A 40 -2.093 -5.502 -11.930 1.00 0.00 C ATOM 560 C GLY A 40 -2.880 -4.242 -12.230 1.00 0.00 C ATOM 561 O GLY A 40 -2.697 -3.623 -13.278 1.00 0.00 O ATOM 0 H GLY A 40 -2.776 -6.965 -10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.378 -5.298 -11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.516 -5.784 -12.811 1.00 0.00 H new ATOM 565 N GLY A 41 -3.755 -3.857 -11.307 1.00 0.00 N ATOM 566 CA GLY A 41 -4.553 -2.660 -11.495 1.00 0.00 C ATOM 567 C GLY A 41 -5.850 -2.929 -12.234 1.00 0.00 C ATOM 568 O GLY A 41 -6.592 -1.999 -12.555 1.00 0.00 O ATOM 0 H GLY A 41 -3.926 -4.353 -10.432 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.778 -2.222 -10.522 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.971 -1.924 -12.049 1.00 0.00 H new ATOM 572 N SER A 42 -6.127 -4.200 -12.504 1.00 0.00 N ATOM 573 CA SER A 42 -7.347 -4.581 -13.209 1.00 0.00 C ATOM 574 C SER A 42 -8.528 -4.680 -12.246 1.00 0.00 C ATOM 575 O SER A 42 -9.675 -4.827 -12.667 1.00 0.00 O ATOM 576 CB SER A 42 -7.148 -5.916 -13.932 1.00 0.00 C ATOM 577 OG SER A 42 -7.477 -5.803 -15.306 1.00 0.00 O ATOM 0 H SER A 42 -5.526 -4.983 -12.246 1.00 0.00 H new ATOM 0 HA SER A 42 -7.567 -3.807 -13.944 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.112 -6.239 -13.828 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.769 -6.682 -13.467 1.00 0.00 H new ATOM 0 HG SER A 42 -7.340 -6.667 -15.747 1.00 0.00 H new ATOM 583 N CYS A 43 -8.238 -4.594 -10.951 1.00 0.00 N ATOM 584 CA CYS A 43 -9.275 -4.669 -9.927 1.00 0.00 C ATOM 585 C CYS A 43 -10.010 -6.005 -9.985 1.00 0.00 C ATOM 586 O CYS A 43 -11.227 -6.045 -10.170 1.00 0.00 O ATOM 587 CB CYS A 43 -10.271 -3.520 -10.094 1.00 0.00 C ATOM 588 SG CYS A 43 -9.554 -1.877 -9.852 1.00 0.00 S ATOM 0 H CYS A 43 -7.293 -4.472 -10.586 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.791 -4.585 -8.954 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.704 -3.572 -11.093 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.088 -3.656 -9.385 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.474 -0.973 -10.016 1.00 0.00 H new ATOM 594 N VAL A 44 -9.269 -7.097 -9.822 1.00 0.00 N ATOM 595 CA VAL A 44 -9.863 -8.430 -9.853 1.00 0.00 C ATOM 596 C VAL A 44 -9.039 -9.438 -9.053 1.00 0.00 C ATOM 597 O VAL A 44 -9.216 -10.647 -9.199 1.00 0.00 O ATOM 598 CB VAL A 44 -10.025 -8.942 -11.297 1.00 0.00 C ATOM 599 CG1 VAL A 44 -10.568 -7.841 -12.195 1.00 0.00 C ATOM 600 CG2 VAL A 44 -8.706 -9.472 -11.833 1.00 0.00 C ATOM 0 H VAL A 44 -8.261 -7.086 -9.668 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.847 -8.338 -9.394 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.741 -9.764 -11.290 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.676 -8.220 -13.211 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.540 -7.515 -11.824 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.878 -6.997 -12.194 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.845 -9.828 -12.854 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.963 -8.674 -11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.362 -10.294 -11.206 1.00 0.00 H new ATOM 610 N CYS A 45 -8.144 -8.938 -8.203 1.00 0.00 N ATOM 611 CA CYS A 45 -7.311 -9.807 -7.380 1.00 0.00 C ATOM 612 C CYS A 45 -7.160 -9.237 -5.972 1.00 0.00 C ATOM 613 O CYS A 45 -7.840 -8.277 -5.608 1.00 0.00 O ATOM 614 CB CYS A 45 -5.936 -10.018 -8.032 1.00 0.00 C ATOM 615 SG CYS A 45 -4.617 -8.909 -7.430 1.00 0.00 S ATOM 0 H CYS A 45 -7.979 -7.941 -8.068 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.803 -10.776 -7.303 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.626 -11.050 -7.865 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.037 -9.886 -9.109 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.595 -9.617 -7.049 1.00 0.00 H new ATOM 620 N ALA A 46 -6.272 -9.830 -5.181 1.00 0.00 N ATOM 621 CA ALA A 46 -6.050 -9.371 -3.815 1.00 0.00 C ATOM 622 C ALA A 46 -4.650 -9.726 -3.324 1.00 0.00 C ATOM 623 O ALA A 46 -4.394 -9.748 -2.120 1.00 0.00 O ATOM 624 CB ALA A 46 -7.100 -9.958 -2.885 1.00 0.00 C ATOM 0 H ALA A 46 -5.697 -10.625 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.137 -8.285 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.923 -9.607 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.091 -9.642 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.040 -11.046 -2.909 1.00 0.00 H new ATOM 630 N THR A 47 -3.747 -9.997 -4.258 1.00 0.00 N ATOM 631 CA THR A 47 -2.374 -10.345 -3.908 1.00 0.00 C ATOM 632 C THR A 47 -1.540 -9.092 -3.653 1.00 0.00 C ATOM 633 O THR A 47 -0.367 -9.179 -3.293 1.00 0.00 O ATOM 634 CB THR A 47 -1.735 -11.178 -5.019 1.00 0.00 C ATOM 635 OG1 THR A 47 -2.158 -10.725 -6.293 1.00 0.00 O ATOM 636 CG2 THR A 47 -2.062 -12.653 -4.924 1.00 0.00 C ATOM 0 H THR A 47 -3.938 -9.983 -5.260 1.00 0.00 H new ATOM 0 HA THR A 47 -2.401 -10.934 -2.992 1.00 0.00 H new ATOM 0 HB THR A 47 -0.660 -11.052 -4.893 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.737 -11.270 -6.990 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.578 -13.186 -5.742 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.703 -13.045 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.141 -12.791 -4.989 1.00 0.00 H new ATOM 644 N CYS A 48 -2.156 -7.928 -3.836 1.00 0.00 N ATOM 645 CA CYS A 48 -1.471 -6.659 -3.622 1.00 0.00 C ATOM 646 C CYS A 48 -1.631 -6.200 -2.176 1.00 0.00 C ATOM 647 O CYS A 48 -2.002 -5.054 -1.915 1.00 0.00 O ATOM 648 CB CYS A 48 -2.017 -5.595 -4.575 1.00 0.00 C ATOM 649 SG CYS A 48 -3.814 -5.319 -4.439 1.00 0.00 S ATOM 0 H CYS A 48 -3.128 -7.838 -4.132 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.410 -6.803 -3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.501 -4.654 -4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.782 -5.886 -5.599 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.177 -4.400 -5.284 1.00 0.00 H new ATOM 654 N ARG A 49 -1.351 -7.104 -1.244 1.00 0.00 N ATOM 655 CA ARG A 49 -1.467 -6.800 0.177 1.00 0.00 C ATOM 656 C ARG A 49 -0.276 -5.984 0.667 1.00 0.00 C ATOM 657 O ARG A 49 0.871 -6.426 0.593 1.00 0.00 O ATOM 658 CB ARG A 49 -1.584 -8.094 0.988 1.00 0.00 C ATOM 659 CG ARG A 49 -1.198 -7.933 2.451 1.00 0.00 C ATOM 660 CD ARG A 49 -1.879 -8.973 3.327 1.00 0.00 C ATOM 661 NE ARG A 49 -1.727 -8.672 4.748 1.00 0.00 N ATOM 662 CZ ARG A 49 -2.365 -9.328 5.712 1.00 0.00 C ATOM 663 NH1 ARG A 49 -3.184 -10.325 5.408 1.00 0.00 N ATOM 664 NH2 ARG A 49 -2.181 -8.991 6.980 1.00 0.00 N ATOM 0 H ARG A 49 -1.042 -8.054 -1.448 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.369 -6.204 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.610 -8.458 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.949 -8.855 0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.117 -8.021 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.471 -6.934 2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.939 -9.020 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.458 -9.956 3.117 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.096 -7.916 5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.325 -10.590 4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.673 -10.827 6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.549 -8.227 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.672 -9.496 7.718 1.00 0.00 H new ATOM 678 N ILE A 50 -0.564 -4.794 1.180 1.00 0.00 N ATOM 679 CA ILE A 50 0.467 -3.907 1.701 1.00 0.00 C ATOM 680 C ILE A 50 -0.072 -3.120 2.888 1.00 0.00 C ATOM 681 O ILE A 50 -1.266 -3.177 3.183 1.00 0.00 O ATOM 682 CB ILE A 50 0.977 -2.931 0.624 1.00 0.00 C ATOM 683 CG1 ILE A 50 1.152 -3.660 -0.710 1.00 0.00 C ATOM 684 CG2 ILE A 50 2.289 -2.299 1.063 1.00 0.00 C ATOM 685 CD1 ILE A 50 2.313 -4.631 -0.718 1.00 0.00 C ATOM 0 H ILE A 50 -1.511 -4.420 1.246 1.00 0.00 H new ATOM 0 HA ILE A 50 1.305 -4.528 2.019 1.00 0.00 H new ATOM 0 HB ILE A 50 0.240 -2.139 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.235 -4.201 -0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.298 -2.924 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.638 -1.612 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.136 -1.753 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.035 -3.079 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.378 -5.112 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.239 -4.093 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.159 -5.389 0.050 1.00 0.00 H new ATOM 697 N GLU A 51 0.802 -2.401 3.582 1.00 0.00 N ATOM 698 CA GLU A 51 0.377 -1.633 4.744 1.00 0.00 C ATOM 699 C GLU A 51 1.042 -0.260 4.809 1.00 0.00 C ATOM 700 O GLU A 51 2.268 -0.145 4.801 1.00 0.00 O ATOM 701 CB GLU A 51 0.683 -2.412 6.023 1.00 0.00 C ATOM 702 CG GLU A 51 -0.367 -3.454 6.370 1.00 0.00 C ATOM 703 CD GLU A 51 -0.188 -4.018 7.766 1.00 0.00 C ATOM 704 OE1 GLU A 51 -0.744 -3.432 8.719 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.511 -5.043 7.907 1.00 0.00 O ATOM 0 H GLU A 51 1.796 -2.334 3.364 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.697 -1.473 4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.649 -2.905 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.774 -1.710 6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.358 -3.008 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.321 -4.267 5.645 1.00 0.00 H new ATOM 712 N ILE A 52 0.213 0.775 4.910 1.00 0.00 N ATOM 713 CA ILE A 52 0.688 2.148 5.020 1.00 0.00 C ATOM 714 C ILE A 52 1.361 2.339 6.368 1.00 0.00 C ATOM 715 O ILE A 52 0.949 1.712 7.344 1.00 0.00 O ATOM 716 CB ILE A 52 -0.496 3.127 4.934 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.163 3.040 3.567 1.00 0.00 C ATOM 718 CG2 ILE A 52 -0.039 4.546 5.220 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.440 3.834 2.515 1.00 0.00 C ATOM 0 H ILE A 52 -0.803 0.685 4.918 1.00 0.00 H new ATOM 0 HA ILE A 52 1.389 2.342 4.208 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.229 2.847 5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.213 1.996 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.189 3.398 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.891 5.223 5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.388 4.596 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.715 4.840 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.960 3.735 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.413 4.884 2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.579 3.460 2.413 1.00 0.00 H new ATOM 731 N GLU A 53 2.379 3.196 6.467 1.00 0.00 N ATOM 732 CA GLU A 53 2.996 3.367 7.780 1.00 0.00 C ATOM 733 C GLU A 53 1.889 3.744 8.774 1.00 0.00 C ATOM 734 O GLU A 53 0.790 4.108 8.354 1.00 0.00 O ATOM 735 CB GLU A 53 4.150 4.387 7.745 1.00 0.00 C ATOM 736 CG GLU A 53 3.833 5.722 8.379 1.00 0.00 C ATOM 737 CD GLU A 53 4.341 5.826 9.806 1.00 0.00 C ATOM 738 OE1 GLU A 53 3.613 5.414 10.732 1.00 0.00 O ATOM 739 OE2 GLU A 53 5.473 6.321 9.996 1.00 0.00 O ATOM 0 H GLU A 53 2.773 3.750 5.706 1.00 0.00 H new ATOM 0 HA GLU A 53 3.461 2.435 8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.013 3.956 8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.439 4.553 6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.276 6.518 7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.754 5.878 8.369 1.00 0.00 H new ATOM 746 N ASP A 54 2.137 3.620 10.074 1.00 0.00 N ATOM 747 CA ASP A 54 1.096 3.916 11.071 1.00 0.00 C ATOM 748 C ASP A 54 0.917 5.410 11.335 1.00 0.00 C ATOM 749 O ASP A 54 0.365 5.807 12.361 1.00 0.00 O ATOM 750 CB ASP A 54 1.391 3.188 12.383 1.00 0.00 C ATOM 751 CG ASP A 54 0.194 2.411 12.894 1.00 0.00 C ATOM 752 OD1 ASP A 54 -0.381 1.623 12.112 1.00 0.00 O ATOM 753 OD2 ASP A 54 -0.170 2.590 14.076 1.00 0.00 O ATOM 0 H ASP A 54 3.031 3.322 10.464 1.00 0.00 H new ATOM 0 HA ASP A 54 0.158 3.556 10.648 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.228 2.506 12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.699 3.913 13.136 1.00 0.00 H new ATOM 758 N ALA A 55 1.360 6.227 10.399 1.00 0.00 N ATOM 759 CA ALA A 55 1.231 7.668 10.501 1.00 0.00 C ATOM 760 C ALA A 55 0.286 8.189 9.438 1.00 0.00 C ATOM 761 O ALA A 55 -0.289 9.267 9.567 1.00 0.00 O ATOM 762 CB ALA A 55 2.588 8.328 10.328 1.00 0.00 C ATOM 0 H ALA A 55 1.820 5.910 9.546 1.00 0.00 H new ATOM 0 HA ALA A 55 0.832 7.907 11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.479 9.410 10.406 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.266 7.974 11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.994 8.074 9.349 1.00 0.00 H new ATOM 768 N TRP A 56 0.192 7.434 8.349 1.00 0.00 N ATOM 769 CA TRP A 56 -0.613 7.838 7.211 1.00 0.00 C ATOM 770 C TRP A 56 -1.865 7.035 7.019 1.00 0.00 C ATOM 771 O TRP A 56 -2.603 7.277 6.077 1.00 0.00 O ATOM 772 CB TRP A 56 0.226 7.737 5.971 1.00 0.00 C ATOM 773 CG TRP A 56 1.448 8.528 6.130 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.467 8.249 6.976 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.773 9.738 5.470 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.412 9.222 6.912 1.00 0.00 N ATOM 777 CE2 TRP A 56 3.021 10.147 5.982 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.139 10.525 4.491 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.650 11.301 5.559 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.780 11.673 4.066 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.022 12.052 4.599 1.00 0.00 C ATOM 0 H TRP A 56 0.666 6.538 8.234 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.937 8.860 7.408 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.480 6.695 5.777 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.339 8.093 5.109 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.521 7.377 7.611 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.269 9.258 7.464 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.180 10.240 4.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.603 11.601 5.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.317 12.290 3.310 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.494 12.956 4.245 1.00 0.00 H new ATOM 792 N VAL A 57 -2.135 6.102 7.886 1.00 0.00 N ATOM 793 CA VAL A 57 -3.339 5.341 7.735 1.00 0.00 C ATOM 794 C VAL A 57 -4.519 6.257 7.912 1.00 0.00 C ATOM 795 O VAL A 57 -5.523 6.162 7.206 1.00 0.00 O ATOM 796 CB VAL A 57 -3.416 4.228 8.749 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.642 3.401 8.471 1.00 0.00 C ATOM 798 CG2 VAL A 57 -2.141 3.434 8.677 1.00 0.00 C ATOM 0 H VAL A 57 -1.553 5.854 8.686 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.345 4.895 6.741 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.511 4.609 9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.708 2.592 9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.529 4.030 8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.578 2.981 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.176 2.622 9.404 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.027 3.019 7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.295 4.084 8.899 1.00 0.00 H new ATOM 808 N GLU A 58 -4.361 7.179 8.844 1.00 0.00 N ATOM 809 CA GLU A 58 -5.386 8.165 9.103 1.00 0.00 C ATOM 810 C GLU A 58 -5.293 9.256 8.051 1.00 0.00 C ATOM 811 O GLU A 58 -6.133 10.155 7.984 1.00 0.00 O ATOM 812 CB GLU A 58 -5.242 8.751 10.508 1.00 0.00 C ATOM 813 CG GLU A 58 -5.769 7.838 11.602 1.00 0.00 C ATOM 814 CD GLU A 58 -7.071 7.163 11.219 1.00 0.00 C ATOM 815 OE1 GLU A 58 -7.940 7.841 10.630 1.00 0.00 O ATOM 816 OE2 GLU A 58 -7.222 5.956 11.504 1.00 0.00 O ATOM 0 H GLU A 58 -3.532 7.263 9.432 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.365 7.690 9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.190 8.963 10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.772 9.702 10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.022 7.077 11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.918 8.417 12.513 1.00 0.00 H new ATOM 823 N ILE A 59 -4.268 9.146 7.210 1.00 0.00 N ATOM 824 CA ILE A 59 -4.055 10.096 6.126 1.00 0.00 C ATOM 825 C ILE A 59 -4.518 9.482 4.825 1.00 0.00 C ATOM 826 O ILE A 59 -5.108 10.142 3.968 1.00 0.00 O ATOM 827 CB ILE A 59 -2.565 10.466 5.977 1.00 0.00 C ATOM 828 CG1 ILE A 59 -2.180 11.513 7.004 1.00 0.00 C ATOM 829 CG2 ILE A 59 -2.252 10.977 4.575 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.772 11.357 7.504 1.00 0.00 C ATOM 0 H ILE A 59 -3.570 8.404 7.260 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.621 10.998 6.361 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.981 9.561 6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.296 12.504 6.565 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.868 11.456 7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.193 11.228 4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.489 10.204 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.849 11.865 4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.557 12.136 8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.658 10.379 7.971 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.077 11.443 6.668 1.00 0.00 H new ATOM 842 N VAL A 60 -4.211 8.207 4.689 1.00 0.00 N ATOM 843 CA VAL A 60 -4.545 7.459 3.507 1.00 0.00 C ATOM 844 C VAL A 60 -5.898 6.770 3.673 1.00 0.00 C ATOM 845 O VAL A 60 -6.922 7.327 3.277 1.00 0.00 O ATOM 846 CB VAL A 60 -3.430 6.444 3.182 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.665 5.803 1.824 1.00 0.00 C ATOM 848 CG2 VAL A 60 -2.058 7.126 3.234 1.00 0.00 C ATOM 0 H VAL A 60 -3.721 7.665 5.401 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.626 8.147 2.666 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.450 5.655 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.867 5.091 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.623 5.284 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.674 6.575 1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.281 6.398 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.026 7.935 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.890 7.531 4.232 1.00 0.00 H new ATOM 858 N GLY A 61 -5.896 5.575 4.283 1.00 0.00 N ATOM 859 CA GLY A 61 -7.132 4.832 4.524 1.00 0.00 C ATOM 860 C GLY A 61 -8.294 5.308 3.670 1.00 0.00 C ATOM 861 O GLY A 61 -9.290 5.804 4.195 1.00 0.00 O ATOM 0 H GLY A 61 -5.053 5.108 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.956 3.774 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.403 4.921 5.576 1.00 0.00 H new ATOM 865 N GLU A 62 -8.156 5.185 2.355 1.00 0.00 N ATOM 866 CA GLU A 62 -9.195 5.639 1.436 1.00 0.00 C ATOM 867 C GLU A 62 -10.219 4.551 1.142 1.00 0.00 C ATOM 868 O GLU A 62 -11.329 4.839 0.692 1.00 0.00 O ATOM 869 CB GLU A 62 -8.563 6.114 0.131 1.00 0.00 C ATOM 870 CG GLU A 62 -7.660 7.328 0.295 1.00 0.00 C ATOM 871 CD GLU A 62 -7.382 8.031 -1.019 1.00 0.00 C ATOM 872 OE1 GLU A 62 -6.863 7.372 -1.946 1.00 0.00 O ATOM 873 OE2 GLU A 62 -7.682 9.239 -1.122 1.00 0.00 O ATOM 0 H GLU A 62 -7.339 4.777 1.902 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.719 6.464 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.984 5.297 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.354 6.354 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.124 8.030 0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.716 7.016 0.742 1.00 0.00 H new ATOM 880 N ALA A 63 -9.844 3.307 1.378 1.00 0.00 N ATOM 881 CA ALA A 63 -10.742 2.188 1.114 1.00 0.00 C ATOM 882 C ALA A 63 -12.111 2.403 1.725 1.00 0.00 C ATOM 883 O ALA A 63 -12.244 2.903 2.843 1.00 0.00 O ATOM 884 CB ALA A 63 -10.182 0.874 1.632 1.00 0.00 C ATOM 0 H ALA A 63 -8.931 3.043 1.749 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.836 2.136 0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.883 0.068 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.229 0.667 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.031 0.942 2.709 1.00 0.00 H new ATOM 890 N ASN A 64 -13.119 1.982 0.988 1.00 0.00 N ATOM 891 CA ASN A 64 -14.482 2.063 1.425 1.00 0.00 C ATOM 892 C ASN A 64 -14.828 0.766 2.149 1.00 0.00 C ATOM 893 O ASN A 64 -13.958 -0.069 2.398 1.00 0.00 O ATOM 894 CB ASN A 64 -15.379 2.290 0.201 1.00 0.00 C ATOM 895 CG ASN A 64 -15.643 1.011 -0.564 1.00 0.00 C ATOM 896 OD1 ASN A 64 -14.719 0.250 -0.851 1.00 0.00 O ATOM 897 ND2 ASN A 64 -16.904 0.772 -0.908 1.00 0.00 N ATOM 0 H ASN A 64 -13.005 1.571 0.061 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.635 2.895 2.113 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.327 2.720 0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.908 3.016 -0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -17.139 -0.071 -1.432 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -17.637 1.432 -0.648 1.00 0.00 H new ATOM 904 N PRO A 65 -16.095 0.580 2.490 1.00 0.00 N ATOM 905 CA PRO A 65 -16.574 -0.617 3.186 1.00 0.00 C ATOM 906 C PRO A 65 -16.462 -1.887 2.340 1.00 0.00 C ATOM 907 O PRO A 65 -16.863 -2.964 2.781 1.00 0.00 O ATOM 908 CB PRO A 65 -18.052 -0.309 3.472 1.00 0.00 C ATOM 909 CG PRO A 65 -18.226 1.151 3.203 1.00 0.00 C ATOM 910 CD PRO A 65 -17.156 1.534 2.222 1.00 0.00 C ATOM 0 HA PRO A 65 -15.979 -0.815 4.078 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.705 -0.904 2.834 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.308 -0.549 4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -19.216 1.355 2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.134 1.729 4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.510 1.463 1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.821 2.560 2.373 1.00 0.00 H new ATOM 918 N ASP A 66 -15.918 -1.769 1.128 1.00 0.00 N ATOM 919 CA ASP A 66 -15.770 -2.927 0.252 1.00 0.00 C ATOM 920 C ASP A 66 -14.406 -3.580 0.432 1.00 0.00 C ATOM 921 O ASP A 66 -14.307 -4.789 0.645 1.00 0.00 O ATOM 922 CB ASP A 66 -15.974 -2.532 -1.213 1.00 0.00 C ATOM 923 CG ASP A 66 -17.416 -2.683 -1.657 1.00 0.00 C ATOM 924 OD1 ASP A 66 -18.319 -2.469 -0.823 1.00 0.00 O ATOM 925 OD2 ASP A 66 -17.641 -3.015 -2.840 1.00 0.00 O ATOM 0 H ASP A 66 -15.576 -0.892 0.735 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.537 -3.650 0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.659 -1.498 -1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.336 -3.149 -1.845 1.00 0.00 H new ATOM 930 N GLU A 67 -13.355 -2.772 0.342 1.00 0.00 N ATOM 931 CA GLU A 67 -11.993 -3.271 0.492 1.00 0.00 C ATOM 932 C GLU A 67 -11.814 -3.956 1.841 1.00 0.00 C ATOM 933 O GLU A 67 -11.079 -4.937 1.959 1.00 0.00 O ATOM 934 CB GLU A 67 -10.989 -2.127 0.347 1.00 0.00 C ATOM 935 CG GLU A 67 -11.361 -1.130 -0.739 1.00 0.00 C ATOM 936 CD GLU A 67 -11.741 -1.806 -2.042 1.00 0.00 C ATOM 937 OE1 GLU A 67 -12.724 -2.577 -2.046 1.00 0.00 O ATOM 938 OE2 GLU A 67 -11.057 -1.565 -3.058 1.00 0.00 O ATOM 0 H GLU A 67 -13.420 -1.769 0.166 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.810 -4.004 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.908 -1.602 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.006 -2.542 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.194 -0.517 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.521 -0.458 -0.914 1.00 0.00 H new ATOM 945 N ASN A 68 -12.495 -3.436 2.856 1.00 0.00 N ATOM 946 CA ASN A 68 -12.414 -4.003 4.194 1.00 0.00 C ATOM 947 C ASN A 68 -13.122 -5.352 4.245 1.00 0.00 C ATOM 948 O ASN A 68 -12.670 -6.278 4.919 1.00 0.00 O ATOM 949 CB ASN A 68 -13.032 -3.048 5.218 1.00 0.00 C ATOM 950 CG ASN A 68 -13.181 -3.684 6.585 1.00 0.00 C ATOM 951 OD1 ASN A 68 -12.319 -4.647 6.887 1.00 0.00 O flip ATOM 952 ND2 ASN A 68 -14.062 -3.313 7.362 1.00 0.00 N flip ATOM 0 H ASN A 68 -13.108 -2.624 2.777 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.362 -4.149 4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.410 -2.157 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.010 -2.723 4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.703 -2.569 7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.150 -3.750 8.279 1.00 0.00 H new ATOM 959 N ASP A 69 -14.233 -5.455 3.521 1.00 0.00 N ATOM 960 CA ASP A 69 -15.002 -6.693 3.476 1.00 0.00 C ATOM 961 C ASP A 69 -14.307 -7.733 2.604 1.00 0.00 C ATOM 962 O ASP A 69 -14.349 -8.928 2.896 1.00 0.00 O ATOM 963 CB ASP A 69 -16.412 -6.425 2.944 1.00 0.00 C ATOM 964 CG ASP A 69 -17.377 -7.546 3.276 1.00 0.00 C ATOM 965 OD1 ASP A 69 -17.262 -8.628 2.664 1.00 0.00 O ATOM 966 OD2 ASP A 69 -18.248 -7.341 4.148 1.00 0.00 O ATOM 0 H ASP A 69 -14.620 -4.697 2.959 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.073 -7.084 4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.785 -5.491 3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.371 -6.293 1.863 1.00 0.00 H new ATOM 971 N LEU A 70 -13.665 -7.272 1.536 1.00 0.00 N ATOM 972 CA LEU A 70 -12.958 -8.169 0.627 1.00 0.00 C ATOM 973 C LEU A 70 -11.834 -8.900 1.353 1.00 0.00 C ATOM 974 O LEU A 70 -11.700 -10.118 1.243 1.00 0.00 O ATOM 975 CB LEU A 70 -12.393 -7.388 -0.561 1.00 0.00 C ATOM 976 CG LEU A 70 -12.417 -8.136 -1.895 1.00 0.00 C ATOM 977 CD1 LEU A 70 -12.853 -7.209 -3.020 1.00 0.00 C ATOM 978 CD2 LEU A 70 -11.050 -8.734 -2.196 1.00 0.00 C ATOM 0 H LEU A 70 -13.619 -6.286 1.278 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.670 -8.908 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.958 -6.462 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.364 -7.108 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.140 -8.949 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.864 -7.759 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.853 -6.828 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.155 -6.375 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.086 -9.262 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.308 -7.937 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.776 -9.431 -1.404 1.00 0.00 H new ATOM 990 N LEU A 71 -11.031 -8.148 2.100 1.00 0.00 N ATOM 991 CA LEU A 71 -9.921 -8.725 2.847 1.00 0.00 C ATOM 992 C LEU A 71 -10.431 -9.565 4.015 1.00 0.00 C ATOM 993 O LEU A 71 -9.800 -10.544 4.412 1.00 0.00 O ATOM 994 CB LEU A 71 -8.999 -7.620 3.365 1.00 0.00 C ATOM 995 CG LEU A 71 -7.747 -7.370 2.521 1.00 0.00 C ATOM 996 CD1 LEU A 71 -6.859 -8.605 2.496 1.00 0.00 C ATOM 997 CD2 LEU A 71 -8.131 -6.957 1.108 1.00 0.00 C ATOM 0 H LEU A 71 -11.129 -7.138 2.203 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.359 -9.372 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.568 -6.692 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.690 -7.872 4.379 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.184 -6.556 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.975 -8.405 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.554 -8.854 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.411 -9.441 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.229 -6.783 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.718 -7.750 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.722 -6.042 1.144 1.00 0.00 H new ATOM 1009 N GLN A 72 -11.579 -9.173 4.562 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.174 -9.891 5.685 1.00 0.00 C ATOM 1011 C GLN A 72 -12.610 -11.291 5.269 1.00 0.00 C ATOM 1012 O GLN A 72 -12.627 -12.215 6.082 1.00 0.00 O ATOM 1013 CB GLN A 72 -13.373 -9.117 6.235 1.00 0.00 C ATOM 1014 CG GLN A 72 -12.997 -8.050 7.251 1.00 0.00 C ATOM 1015 CD GLN A 72 -13.734 -8.211 8.565 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -14.510 -7.343 8.965 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -13.496 -9.327 9.244 1.00 0.00 N ATOM 0 H GLN A 72 -12.114 -8.364 4.247 1.00 0.00 H new ATOM 0 HA GLN A 72 -11.418 -9.982 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -13.902 -8.647 5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.066 -9.819 6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.923 -8.090 7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.213 -7.066 6.836 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.845 -10.020 8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.964 -9.492 10.135 1.00 0.00 H new ATOM 1026 N SER A 73 -12.964 -11.440 3.996 1.00 0.00 N ATOM 1027 CA SER A 73 -13.404 -12.729 3.472 1.00 0.00 C ATOM 1028 C SER A 73 -12.214 -13.593 3.062 1.00 0.00 C ATOM 1029 O SER A 73 -12.377 -14.598 2.369 1.00 0.00 O ATOM 1030 CB SER A 73 -14.335 -12.523 2.276 1.00 0.00 C ATOM 1031 OG SER A 73 -13.623 -12.609 1.053 1.00 0.00 O ATOM 0 H SER A 73 -12.955 -10.686 3.309 1.00 0.00 H new ATOM 0 HA SER A 73 -13.945 -13.247 4.264 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.126 -13.273 2.293 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.818 -11.549 2.351 1.00 0.00 H new ATOM 0 HG SER A 73 -12.982 -11.870 0.995 1.00 0.00 H new ATOM 1037 N THR A 74 -11.020 -13.199 3.491 1.00 0.00 N ATOM 1038 CA THR A 74 -9.810 -13.944 3.165 1.00 0.00 C ATOM 1039 C THR A 74 -9.533 -15.018 4.213 1.00 0.00 C ATOM 1040 O THR A 74 -8.850 -16.005 3.939 1.00 0.00 O ATOM 1041 CB THR A 74 -8.613 -12.998 3.059 1.00 0.00 C ATOM 1042 OG1 THR A 74 -8.298 -12.444 4.325 1.00 0.00 O ATOM 1043 CG2 THR A 74 -8.840 -11.850 2.099 1.00 0.00 C ATOM 0 H THR A 74 -10.864 -12.370 4.064 1.00 0.00 H new ATOM 0 HA THR A 74 -9.964 -14.431 2.202 1.00 0.00 H new ATOM 0 HB THR A 74 -7.794 -13.610 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.548 -11.497 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.953 -11.218 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.036 -12.243 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.695 -11.261 2.432 1.00 0.00 H new ATOM 1051 N GLY A 75 -10.068 -14.819 5.413 1.00 0.00 N ATOM 1052 CA GLY A 75 -9.869 -15.777 6.483 1.00 0.00 C ATOM 1053 C GLY A 75 -8.583 -15.533 7.247 1.00 0.00 C ATOM 1054 O GLY A 75 -8.036 -16.446 7.866 1.00 0.00 O ATOM 0 H GLY A 75 -10.637 -14.010 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.712 -15.728 7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.855 -16.784 6.067 1.00 0.00 H new ATOM 1058 N GLU A 76 -8.099 -14.297 7.204 1.00 0.00 N ATOM 1059 CA GLU A 76 -6.868 -13.933 7.896 1.00 0.00 C ATOM 1060 C GLU A 76 -7.034 -12.611 8.637 1.00 0.00 C ATOM 1061 O GLU A 76 -7.718 -11.703 8.165 1.00 0.00 O ATOM 1062 CB GLU A 76 -5.709 -13.835 6.902 1.00 0.00 C ATOM 1063 CG GLU A 76 -5.038 -15.169 6.617 1.00 0.00 C ATOM 1064 CD GLU A 76 -3.645 -15.010 6.039 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -2.737 -14.586 6.785 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -3.461 -15.309 4.840 1.00 0.00 O ATOM 0 H GLU A 76 -8.540 -13.530 6.697 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.645 -14.712 8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.078 -13.416 5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.965 -13.139 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.981 -15.747 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.653 -15.739 5.921 1.00 0.00 H new ATOM 1073 N PRO A 77 -6.404 -12.491 9.815 1.00 0.00 N ATOM 1074 CA PRO A 77 -6.479 -11.275 10.633 1.00 0.00 C ATOM 1075 C PRO A 77 -5.811 -10.082 9.958 1.00 0.00 C ATOM 1076 O PRO A 77 -4.728 -10.206 9.385 1.00 0.00 O ATOM 1077 CB PRO A 77 -5.730 -11.654 11.914 1.00 0.00 C ATOM 1078 CG PRO A 77 -4.844 -12.786 11.523 1.00 0.00 C ATOM 1079 CD PRO A 77 -5.573 -13.531 10.440 1.00 0.00 C ATOM 0 HA PRO A 77 -7.510 -10.965 10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.151 -10.813 12.296 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.422 -11.949 12.703 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.881 -12.422 11.165 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.642 -13.435 12.375 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.883 -13.978 9.725 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.180 -14.340 10.847 1.00 0.00 H new ATOM 1087 N MET A 78 -6.463 -8.926 10.032 1.00 0.00 N ATOM 1088 CA MET A 78 -5.933 -7.710 9.427 1.00 0.00 C ATOM 1089 C MET A 78 -5.114 -6.911 10.435 1.00 0.00 C ATOM 1090 O MET A 78 -4.920 -7.339 11.573 1.00 0.00 O ATOM 1091 CB MET A 78 -7.073 -6.847 8.883 1.00 0.00 C ATOM 1092 CG MET A 78 -8.325 -7.640 8.545 1.00 0.00 C ATOM 1093 SD MET A 78 -9.590 -6.634 7.744 1.00 0.00 S ATOM 1094 CE MET A 78 -9.341 -5.059 8.559 1.00 0.00 C ATOM 0 H MET A 78 -7.359 -8.806 10.505 1.00 0.00 H new ATOM 0 HA MET A 78 -5.280 -8.000 8.604 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.324 -6.084 9.620 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.730 -6.327 7.989 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.059 -8.470 7.891 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.734 -8.072 9.458 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.184 -4.402 8.347 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.264 -5.214 9.635 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.423 -4.601 8.192 1.00 0.00 H new ATOM 1104 N THR A 79 -4.636 -5.747 10.007 1.00 0.00 N ATOM 1105 CA THR A 79 -3.837 -4.884 10.867 1.00 0.00 C ATOM 1106 C THR A 79 -4.227 -3.423 10.679 1.00 0.00 C ATOM 1107 O THR A 79 -5.050 -3.097 9.823 1.00 0.00 O ATOM 1108 CB THR A 79 -2.350 -5.069 10.563 1.00 0.00 C ATOM 1109 OG1 THR A 79 -2.148 -5.329 9.185 1.00 0.00 O ATOM 1110 CG2 THR A 79 -1.716 -6.201 11.343 1.00 0.00 C ATOM 0 H THR A 79 -4.789 -5.380 9.068 1.00 0.00 H new ATOM 0 HA THR A 79 -4.028 -5.163 11.903 1.00 0.00 H new ATOM 0 HB THR A 79 -1.876 -4.134 10.861 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.100 -4.481 8.696 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.661 -6.278 11.080 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.811 -6.005 12.411 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.219 -7.137 11.100 1.00 0.00 H new ATOM 1118 N ALA A 80 -3.632 -2.545 11.480 1.00 0.00 N ATOM 1119 CA ALA A 80 -3.922 -1.119 11.394 1.00 0.00 C ATOM 1120 C ALA A 80 -3.120 -0.463 10.280 1.00 0.00 C ATOM 1121 O ALA A 80 -1.914 -0.252 10.407 1.00 0.00 O ATOM 1122 CB ALA A 80 -3.629 -0.434 12.718 1.00 0.00 C ATOM 0 H ALA A 80 -2.948 -2.795 12.194 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.982 -1.008 11.165 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.851 0.630 12.634 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.248 -0.874 13.500 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.577 -0.566 12.971 1.00 0.00 H new ATOM 1128 N GLY A 81 -3.799 -0.136 9.188 1.00 0.00 N ATOM 1129 CA GLY A 81 -3.136 0.498 8.070 1.00 0.00 C ATOM 1130 C GLY A 81 -3.091 -0.384 6.840 1.00 0.00 C ATOM 1131 O GLY A 81 -2.287 -0.161 5.935 1.00 0.00 O ATOM 0 H GLY A 81 -4.797 -0.299 9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.651 1.427 7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.119 0.763 8.359 1.00 0.00 H new ATOM 1135 N THR A 82 -3.960 -1.387 6.805 1.00 0.00 N ATOM 1136 CA THR A 82 -4.018 -2.305 5.678 1.00 0.00 C ATOM 1137 C THR A 82 -4.894 -1.745 4.563 1.00 0.00 C ATOM 1138 O THR A 82 -6.117 -1.678 4.692 1.00 0.00 O ATOM 1139 CB THR A 82 -4.550 -3.662 6.130 1.00 0.00 C ATOM 1140 OG1 THR A 82 -4.490 -3.779 7.541 1.00 0.00 O ATOM 1141 CG2 THR A 82 -3.784 -4.823 5.542 1.00 0.00 C ATOM 0 H THR A 82 -4.634 -1.584 7.545 1.00 0.00 H new ATOM 0 HA THR A 82 -3.007 -2.430 5.289 1.00 0.00 H new ATOM 0 HB THR A 82 -5.580 -3.705 5.775 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.274 -3.347 7.939 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.210 -5.760 5.901 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.849 -4.788 4.454 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.739 -4.760 5.845 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.259 -1.343 3.467 1.00 0.00 N ATOM 1150 CA ARG A 83 -4.973 -0.785 2.324 1.00 0.00 C ATOM 1151 C ARG A 83 -4.393 -1.315 1.015 1.00 0.00 C ATOM 1152 O ARG A 83 -3.177 -1.327 0.826 1.00 0.00 O ATOM 1153 CB ARG A 83 -4.895 0.746 2.352 1.00 0.00 C ATOM 1154 CG ARG A 83 -6.242 1.431 2.184 1.00 0.00 C ATOM 1155 CD ARG A 83 -7.097 0.725 1.148 1.00 0.00 C ATOM 1156 NE ARG A 83 -7.731 1.657 0.222 1.00 0.00 N ATOM 1157 CZ ARG A 83 -8.327 1.276 -0.901 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -8.395 -0.013 -1.208 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -8.861 2.179 -1.711 1.00 0.00 N ATOM 0 H ARG A 83 -3.247 -1.394 3.346 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.018 -1.090 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.453 1.061 3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.226 1.081 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.765 1.447 3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.090 2.468 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.479 0.024 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.865 0.139 1.653 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.715 2.651 0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.990 -0.709 -0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.853 -0.308 -2.070 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.814 3.169 -1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.318 1.883 -2.573 1.00 0.00 H new ATOM 1173 N LEU A 84 -5.267 -1.755 0.114 1.00 0.00 N ATOM 1174 CA LEU A 84 -4.827 -2.286 -1.170 1.00 0.00 C ATOM 1175 C LEU A 84 -3.699 -1.436 -1.743 1.00 0.00 C ATOM 1176 O LEU A 84 -3.574 -0.254 -1.424 1.00 0.00 O ATOM 1177 CB LEU A 84 -5.995 -2.335 -2.158 1.00 0.00 C ATOM 1178 CG LEU A 84 -7.086 -3.358 -1.833 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -7.737 -3.866 -3.110 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -6.516 -4.518 -1.029 1.00 0.00 C ATOM 0 H LEU A 84 -6.278 -1.754 0.249 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.457 -3.299 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.450 -1.346 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.601 -2.552 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.847 -2.864 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.510 -4.592 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.185 -3.030 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.983 -4.340 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.309 -5.233 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.733 -5.010 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.097 -4.143 -0.095 1.00 0.00 H new ATOM 1192 N SER A 85 -2.871 -2.051 -2.580 1.00 0.00 N ATOM 1193 CA SER A 85 -1.743 -1.359 -3.188 1.00 0.00 C ATOM 1194 C SER A 85 -2.133 -0.701 -4.508 1.00 0.00 C ATOM 1195 O SER A 85 -1.554 0.310 -4.899 1.00 0.00 O ATOM 1196 CB SER A 85 -0.589 -2.335 -3.411 1.00 0.00 C ATOM 1197 OG SER A 85 -0.111 -2.270 -4.744 1.00 0.00 O ATOM 0 H SER A 85 -2.961 -3.030 -2.853 1.00 0.00 H new ATOM 0 HA SER A 85 -1.426 -0.572 -2.504 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.222 -2.107 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.920 -3.350 -3.190 1.00 0.00 H new ATOM 0 HG SER A 85 -0.683 -2.816 -5.324 1.00 0.00 H new ATOM 1203 N CYS A 86 -3.110 -1.283 -5.195 1.00 0.00 N ATOM 1204 CA CYS A 86 -3.562 -0.747 -6.475 1.00 0.00 C ATOM 1205 C CYS A 86 -4.910 -0.048 -6.338 1.00 0.00 C ATOM 1206 O CYS A 86 -5.652 0.081 -7.311 1.00 0.00 O ATOM 1207 CB CYS A 86 -3.666 -1.864 -7.514 1.00 0.00 C ATOM 1208 SG CYS A 86 -5.160 -2.894 -7.348 1.00 0.00 S ATOM 0 H CYS A 86 -3.603 -2.122 -4.889 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.825 -0.014 -6.804 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.651 -1.422 -8.510 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.786 -2.503 -7.435 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.214 -2.133 -7.344 1.00 0.00 H new ATOM 1213 N GLN A 87 -5.226 0.395 -5.127 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.493 1.072 -4.879 1.00 0.00 C ATOM 1215 C GLN A 87 -6.295 2.405 -4.161 1.00 0.00 C ATOM 1216 O GLN A 87 -7.184 3.257 -4.177 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.415 0.178 -4.055 1.00 0.00 C ATOM 1218 CG GLN A 87 -8.790 -0.015 -4.671 1.00 0.00 C ATOM 1219 CD GLN A 87 -9.427 1.294 -5.097 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -8.961 1.948 -6.029 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -10.498 1.681 -4.414 1.00 0.00 N ATOM 0 H GLN A 87 -4.627 0.299 -4.307 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.948 1.277 -5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.943 -0.797 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.530 0.608 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.707 -0.673 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.440 -0.514 -3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.850 1.106 -3.648 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.969 2.553 -4.655 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.138 2.591 -3.531 1.00 0.00 N ATOM 1231 CA VAL A 88 -4.861 3.825 -2.822 1.00 0.00 C ATOM 1232 C VAL A 88 -4.052 4.759 -3.701 1.00 0.00 C ATOM 1233 O VAL A 88 -2.884 4.505 -3.947 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.088 3.544 -1.521 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -3.375 4.791 -1.029 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -5.022 2.989 -0.459 1.00 0.00 C ATOM 0 H VAL A 88 -4.385 1.904 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.812 4.295 -2.571 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.326 2.793 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.837 4.563 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.669 5.130 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.106 5.576 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.460 2.796 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.811 3.713 -0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.467 2.060 -0.815 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.678 5.823 -4.195 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.983 6.757 -5.074 1.00 0.00 C ATOM 1248 C PHE A 89 -3.635 8.061 -4.378 1.00 0.00 C ATOM 1249 O PHE A 89 -4.412 8.604 -3.593 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.818 7.021 -6.321 1.00 0.00 C ATOM 1251 CG PHE A 89 -5.261 5.753 -6.976 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -4.636 4.563 -6.644 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -6.295 5.736 -7.901 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -5.031 3.370 -7.220 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -6.700 4.545 -8.484 1.00 0.00 C ATOM 1256 CZ PHE A 89 -6.066 3.358 -8.141 1.00 0.00 C ATOM 0 H PHE A 89 -5.652 6.058 -4.005 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.040 6.292 -5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.692 7.615 -6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.236 7.611 -7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.829 4.567 -5.926 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.789 6.658 -8.169 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.534 2.449 -6.953 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.506 4.540 -9.203 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.379 2.428 -8.591 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.439 8.533 -4.681 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.904 9.753 -4.116 1.00 0.00 C ATOM 1268 C ILE A 90 -2.822 10.959 -4.302 1.00 0.00 C ATOM 1269 O ILE A 90 -3.493 11.113 -5.323 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.538 10.053 -4.746 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.453 8.956 -4.384 1.00 0.00 C ATOM 1272 CG2 ILE A 90 -0.002 11.382 -4.269 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.244 9.277 -3.135 1.00 0.00 C ATOM 0 H ILE A 90 -1.806 8.072 -5.335 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.811 9.588 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.667 10.094 -5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.085 8.019 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.140 8.803 -5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.967 11.570 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.696 12.175 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.110 11.361 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.935 8.462 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.806 10.199 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.562 9.402 -2.294 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.821 11.807 -3.285 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.588 13.011 -3.231 1.00 0.00 C ATOM 1287 C ASP A 91 -2.868 13.914 -2.253 1.00 0.00 C ATOM 1288 O ASP A 91 -2.289 13.428 -1.290 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.999 12.678 -2.747 1.00 0.00 C ATOM 1290 CG ASP A 91 -4.988 11.735 -1.560 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -3.982 11.725 -0.820 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.986 11.010 -1.369 1.00 0.00 O ATOM 0 H ASP A 91 -2.258 11.656 -2.448 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.682 13.498 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.514 13.599 -2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.564 12.227 -3.562 1.00 0.00 H new ATOM 1297 N PRO A 92 -2.858 15.223 -2.480 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.175 16.157 -1.590 1.00 0.00 C ATOM 1299 C PRO A 92 -2.310 15.720 -0.129 1.00 0.00 C ATOM 1300 O PRO A 92 -1.463 16.020 0.712 1.00 0.00 O ATOM 1301 CB PRO A 92 -2.907 17.458 -1.892 1.00 0.00 C ATOM 1302 CG PRO A 92 -3.204 17.352 -3.355 1.00 0.00 C ATOM 1303 CD PRO A 92 -3.486 15.897 -3.620 1.00 0.00 C ATOM 0 HA PRO A 92 -1.098 16.231 -1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.819 17.553 -1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.290 18.328 -1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.060 17.970 -3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.360 17.700 -3.950 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.556 15.696 -3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.058 15.570 -4.567 1.00 0.00 H new ATOM 1311 N SER A 93 -3.380 14.980 0.136 1.00 0.00 N ATOM 1312 CA SER A 93 -3.683 14.434 1.449 1.00 0.00 C ATOM 1313 C SER A 93 -2.717 13.329 1.895 1.00 0.00 C ATOM 1314 O SER A 93 -2.647 13.009 3.079 1.00 0.00 O ATOM 1315 CB SER A 93 -5.081 13.839 1.391 1.00 0.00 C ATOM 1316 OG SER A 93 -5.507 13.661 0.052 1.00 0.00 O ATOM 0 H SER A 93 -4.074 14.739 -0.572 1.00 0.00 H new ATOM 0 HA SER A 93 -3.593 15.248 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.093 12.880 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.779 14.493 1.914 1.00 0.00 H new ATOM 0 HG SER A 93 -6.388 13.232 0.043 1.00 0.00 H new ATOM 1322 N MET A 94 -2.003 12.731 0.950 1.00 0.00 N ATOM 1323 CA MET A 94 -1.083 11.646 1.253 1.00 0.00 C ATOM 1324 C MET A 94 0.238 11.870 0.552 1.00 0.00 C ATOM 1325 O MET A 94 0.765 10.980 -0.118 1.00 0.00 O ATOM 1326 CB MET A 94 -1.691 10.315 0.809 1.00 0.00 C ATOM 1327 CG MET A 94 -3.031 10.019 1.457 1.00 0.00 C ATOM 1328 SD MET A 94 -4.203 9.244 0.326 1.00 0.00 S ATOM 1329 CE MET A 94 -3.097 8.363 -0.774 1.00 0.00 C ATOM 0 H MET A 94 -2.045 12.982 -0.038 1.00 0.00 H new ATOM 0 HA MET A 94 -0.908 11.619 2.329 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.813 10.323 -0.274 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.996 9.510 1.045 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.877 9.366 2.316 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.459 10.947 1.835 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.651 7.585 -1.300 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.673 9.059 -1.497 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.294 7.908 -0.194 1.00 0.00 H new ATOM 1339 N ASP A 95 0.767 13.065 0.715 1.00 0.00 N ATOM 1340 CA ASP A 95 2.010 13.434 0.122 1.00 0.00 C ATOM 1341 C ASP A 95 3.121 13.132 1.101 1.00 0.00 C ATOM 1342 O ASP A 95 3.000 13.431 2.287 1.00 0.00 O ATOM 1343 CB ASP A 95 1.975 14.910 -0.263 1.00 0.00 C ATOM 1344 CG ASP A 95 0.869 15.218 -1.252 1.00 0.00 C ATOM 1345 OD1 ASP A 95 -0.151 14.496 -1.244 1.00 0.00 O ATOM 1346 OD2 ASP A 95 1.023 16.179 -2.035 1.00 0.00 O ATOM 0 H ASP A 95 0.334 13.804 1.269 1.00 0.00 H new ATOM 0 HA ASP A 95 2.189 12.863 -0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.837 15.514 0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.935 15.194 -0.694 1.00 0.00 H new ATOM 1351 N GLY A 96 4.166 12.479 0.633 1.00 0.00 N ATOM 1352 CA GLY A 96 5.210 12.097 1.544 1.00 0.00 C ATOM 1353 C GLY A 96 4.711 10.940 2.359 1.00 0.00 C ATOM 1354 O GLY A 96 5.044 10.803 3.527 1.00 0.00 O ATOM 0 H GLY A 96 4.308 12.212 -0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.110 11.818 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.476 12.933 2.191 1.00 0.00 H new ATOM 1358 N LEU A 97 3.855 10.129 1.722 1.00 0.00 N ATOM 1359 CA LEU A 97 3.233 8.985 2.371 1.00 0.00 C ATOM 1360 C LEU A 97 4.217 7.855 2.585 1.00 0.00 C ATOM 1361 O LEU A 97 5.078 7.589 1.751 1.00 0.00 O ATOM 1362 CB LEU A 97 2.013 8.512 1.569 1.00 0.00 C ATOM 1363 CG LEU A 97 2.239 7.325 0.628 1.00 0.00 C ATOM 1364 CD1 LEU A 97 1.478 6.104 1.123 1.00 0.00 C ATOM 1365 CD2 LEU A 97 1.803 7.687 -0.785 1.00 0.00 C ATOM 0 H LEU A 97 3.581 10.253 0.748 1.00 0.00 H new ATOM 0 HA LEU A 97 2.896 9.305 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.224 8.246 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.645 9.351 0.979 1.00 0.00 H new ATOM 0 HG LEU A 97 3.302 7.086 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.649 5.269 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.827 5.837 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.412 6.330 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.968 6.836 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.744 7.946 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.384 8.539 -1.138 1.00 0.00 H new ATOM 1377 N ILE A 98 4.090 7.201 3.724 1.00 0.00 N ATOM 1378 CA ILE A 98 4.985 6.109 4.064 1.00 0.00 C ATOM 1379 C ILE A 98 4.287 4.775 3.985 1.00 0.00 C ATOM 1380 O ILE A 98 3.272 4.543 4.639 1.00 0.00 O ATOM 1381 CB ILE A 98 5.598 6.255 5.469 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.361 7.566 5.582 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.506 5.077 5.784 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.479 8.748 5.314 1.00 0.00 C ATOM 0 H ILE A 98 3.380 7.405 4.427 1.00 0.00 H new ATOM 0 HA ILE A 98 5.787 6.154 3.327 1.00 0.00 H new ATOM 0 HB ILE A 98 4.788 6.264 6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.790 7.652 6.580 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.192 7.565 4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.929 5.200 6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.929 4.153 5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.312 5.033 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.062 9.665 5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.070 8.676 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.663 8.764 6.036 1.00 0.00 H new ATOM 1396 N VAL A 99 4.856 3.897 3.190 1.00 0.00 N ATOM 1397 CA VAL A 99 4.324 2.576 3.026 1.00 0.00 C ATOM 1398 C VAL A 99 5.269 1.528 3.582 1.00 0.00 C ATOM 1399 O VAL A 99 6.415 1.838 3.864 1.00 0.00 O ATOM 1400 CB VAL A 99 4.022 2.258 1.576 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.812 1.366 1.542 1.00 0.00 C ATOM 1402 CG2 VAL A 99 3.795 3.528 0.771 1.00 0.00 C ATOM 0 H VAL A 99 5.697 4.084 2.644 1.00 0.00 H new ATOM 0 HA VAL A 99 3.389 2.552 3.586 1.00 0.00 H new ATOM 0 HB VAL A 99 4.871 1.749 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.570 1.120 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.020 0.449 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.967 1.881 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.580 3.268 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.952 4.078 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.690 4.149 0.812 1.00 0.00 H new ATOM 1412 N ARG A 100 4.778 0.295 3.736 1.00 0.00 N ATOM 1413 CA ARG A 100 5.585 -0.809 4.261 1.00 0.00 C ATOM 1414 C ARG A 100 4.932 -2.155 3.941 1.00 0.00 C ATOM 1415 O ARG A 100 3.725 -2.223 3.705 1.00 0.00 O ATOM 1416 CB ARG A 100 5.760 -0.675 5.776 1.00 0.00 C ATOM 1417 CG ARG A 100 5.598 0.745 6.294 1.00 0.00 C ATOM 1418 CD ARG A 100 5.722 0.808 7.806 1.00 0.00 C ATOM 1419 NE ARG A 100 5.463 -0.483 8.436 1.00 0.00 N ATOM 1420 CZ ARG A 100 4.261 -1.048 8.493 1.00 0.00 C ATOM 1421 NH1 ARG A 100 3.215 -0.447 7.943 1.00 0.00 N ATOM 1422 NH2 ARG A 100 4.107 -2.219 9.097 1.00 0.00 N ATOM 0 H ARG A 100 3.819 0.036 3.503 1.00 0.00 H new ATOM 0 HA ARG A 100 6.564 -0.765 3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.033 -1.317 6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.749 -1.040 6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.353 1.387 5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.626 1.134 5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.723 1.146 8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.022 1.547 8.196 1.00 0.00 H new ATOM 0 HE ARG A 100 6.249 -0.980 8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.331 0.451 7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.294 -0.883 7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.911 -2.686 9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.185 -2.653 9.141 1.00 0.00 H new ATOM 1436 N VAL A 101 5.730 -3.226 3.937 1.00 0.00 N ATOM 1437 CA VAL A 101 5.212 -4.560 3.650 1.00 0.00 C ATOM 1438 C VAL A 101 5.037 -5.369 4.934 1.00 0.00 C ATOM 1439 O VAL A 101 5.871 -5.304 5.838 1.00 0.00 O ATOM 1440 CB VAL A 101 6.149 -5.325 2.694 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.643 -6.736 2.459 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.295 -4.579 1.377 1.00 0.00 C ATOM 0 H VAL A 101 6.731 -3.193 4.128 1.00 0.00 H new ATOM 0 HA VAL A 101 4.241 -4.432 3.172 1.00 0.00 H new ATOM 0 HB VAL A 101 7.132 -5.391 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.320 -7.257 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.598 -7.269 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.647 -6.697 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.960 -5.135 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.317 -4.477 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.713 -3.590 1.564 1.00 0.00 H new ATOM 1452 N PRO A 102 3.944 -6.147 5.033 1.00 0.00 N ATOM 1453 CA PRO A 102 3.657 -6.970 6.213 1.00 0.00 C ATOM 1454 C PRO A 102 4.798 -7.914 6.561 1.00 0.00 C ATOM 1455 O PRO A 102 5.895 -7.820 6.009 1.00 0.00 O ATOM 1456 CB PRO A 102 2.407 -7.768 5.817 1.00 0.00 C ATOM 1457 CG PRO A 102 2.292 -7.618 4.338 1.00 0.00 C ATOM 1458 CD PRO A 102 2.902 -6.286 4.008 1.00 0.00 C ATOM 0 HA PRO A 102 3.517 -6.353 7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.505 -8.816 6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.520 -7.384 6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.814 -8.424 3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.250 -7.659 4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.319 -6.270 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.170 -5.480 4.063 1.00 0.00 H new