USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 85 MET CE :methyl -156:sc= -3.94! (180deg=-4.72!) USER MOD Set 2.2: A 94 ASN : amide:sc= -3.58! C(o=-7.5!,f=-12!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 146:sc= -0.533 (180deg=-3.1!) USER MOD Single : A 23 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.648 X(o=-0.65,f=-0.19) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.334 F(o=-3.2!,f=-0.33) USER MOD Single : A 44 ASN : amide:sc= -0.0979 K(o=-0.098,f=-0.85) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.0057) USER MOD Single : A 51 TYR OH : rot 180:sc=-0.000928 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.029) USER MOD Single : A 60 MET CE :methyl -163:sc= -4.22! (180deg=-5.11!) USER MOD Single : A 62 ASN : amide:sc= -6.6! C(o=-6.6!,f=-8.9!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= -2.19 (180deg=-2.25) USER MOD Single : A 71 THR OG1 : rot -79:sc= -1.38! USER MOD Single : A 78 MET CE :methyl -169:sc= -0.254 (180deg=-0.604) USER MOD Single : A 79 SER OG : rot -57:sc= 0.828 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -155:sc= -0.232 (180deg=-1.38!) USER MOD Single : A 100 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.2!) USER MOD Single : A 104 SER OG : rot -175:sc= -8.22! USER MOD Single : A 106 TYR OH : rot 180:sc= -1.73 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 156:sc= 0.0727 (180deg=0.00627) USER MOD Single : A 121 ASN : amide:sc= -0.0676 K(o=-0.068,f=-0.65) USER MOD Single : A 122 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.271) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.860 0.248 7.715 1.00 0.00 N ATOM 2 CA ALA A 2 -13.931 1.137 8.468 1.00 0.00 C ATOM 3 C ALA A 2 -14.198 2.594 8.087 1.00 0.00 C ATOM 4 O ALA A 2 -15.150 2.901 7.397 1.00 0.00 O ATOM 5 CB ALA A 2 -12.487 0.773 8.116 1.00 0.00 C ATOM 0 HA ALA A 2 -14.089 1.009 9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.804 1.421 8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.297 -0.266 8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.329 0.904 7.045 1.00 0.00 H new ATOM 11 N ASP A 3 -13.363 3.496 8.532 1.00 0.00 N ATOM 12 CA ASP A 3 -13.568 4.934 8.194 1.00 0.00 C ATOM 13 C ASP A 3 -13.858 5.064 6.698 1.00 0.00 C ATOM 14 O ASP A 3 -13.220 4.437 5.879 1.00 0.00 O ATOM 15 CB ASP A 3 -12.304 5.725 8.539 1.00 0.00 C ATOM 16 CG ASP A 3 -12.690 7.142 8.967 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.282 7.280 10.024 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.387 8.066 8.229 1.00 0.00 O ATOM 0 H ASP A 3 -12.549 3.299 9.114 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.409 5.328 8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.758 5.227 9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.639 5.763 7.676 1.00 0.00 H new ATOM 23 N LYS A 4 -14.815 5.870 6.333 1.00 0.00 N ATOM 24 CA LYS A 4 -15.134 6.030 4.890 1.00 0.00 C ATOM 25 C LYS A 4 -14.301 7.164 4.310 1.00 0.00 C ATOM 26 O LYS A 4 -14.804 8.043 3.640 1.00 0.00 O ATOM 27 CB LYS A 4 -16.622 6.332 4.711 1.00 0.00 C ATOM 28 CG LYS A 4 -17.039 6.011 3.272 1.00 0.00 C ATOM 29 CD LYS A 4 -18.546 6.220 3.115 1.00 0.00 C ATOM 30 CE LYS A 4 -19.281 4.921 3.452 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.751 5.139 3.338 1.00 0.00 N ATOM 0 H LYS A 4 -15.388 6.423 6.970 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.900 5.104 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.211 5.741 5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.820 7.380 4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.498 6.651 2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.777 4.981 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.883 7.022 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.777 6.526 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.967 4.126 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.027 4.598 4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.252 4.257 3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.044 5.885 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.985 5.428 2.367 1.00 0.00 H new ATOM 45 N GLU A 5 -13.026 7.153 4.572 1.00 0.00 N ATOM 46 CA GLU A 5 -12.148 8.229 4.048 1.00 0.00 C ATOM 47 C GLU A 5 -10.704 7.943 4.478 1.00 0.00 C ATOM 48 O GLU A 5 -9.928 8.845 4.726 1.00 0.00 O ATOM 49 CB GLU A 5 -12.618 9.581 4.615 1.00 0.00 C ATOM 50 CG GLU A 5 -13.046 10.504 3.472 1.00 0.00 C ATOM 51 CD GLU A 5 -13.698 11.761 4.051 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.878 11.706 4.355 1.00 0.00 O ATOM 53 OE2 GLU A 5 -13.006 12.758 4.180 1.00 0.00 O ATOM 0 H GLU A 5 -12.553 6.441 5.129 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.197 8.265 2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.451 9.428 5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.814 10.045 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.182 10.776 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.746 9.987 2.815 1.00 0.00 H new ATOM 60 N LEU A 6 -10.323 6.693 4.565 1.00 0.00 N ATOM 61 CA LEU A 6 -8.933 6.394 4.977 1.00 0.00 C ATOM 62 C LEU A 6 -8.002 6.787 3.831 1.00 0.00 C ATOM 63 O LEU A 6 -8.024 6.196 2.780 1.00 0.00 O ATOM 64 CB LEU A 6 -8.820 4.903 5.291 1.00 0.00 C ATOM 65 CG LEU A 6 -7.427 4.570 5.828 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.173 5.305 7.143 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.347 3.074 6.079 1.00 0.00 C ATOM 0 H LEU A 6 -10.910 5.882 4.370 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.656 6.955 5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.575 4.622 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.018 4.320 4.391 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.679 4.879 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.178 5.057 7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.242 6.380 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.918 5.003 7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.358 2.822 6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.104 2.787 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.522 2.539 5.146 1.00 0.00 H new ATOM 79 N LYS A 7 -7.212 7.810 4.010 1.00 0.00 N ATOM 80 CA LYS A 7 -6.316 8.267 2.909 1.00 0.00 C ATOM 81 C LYS A 7 -5.374 7.145 2.451 1.00 0.00 C ATOM 82 O LYS A 7 -4.570 6.636 3.214 1.00 0.00 O ATOM 83 CB LYS A 7 -5.494 9.460 3.394 1.00 0.00 C ATOM 84 CG LYS A 7 -6.302 10.746 3.209 1.00 0.00 C ATOM 85 CD LYS A 7 -5.494 11.937 3.727 1.00 0.00 C ATOM 86 CE LYS A 7 -5.243 12.921 2.583 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.424 14.062 3.080 1.00 0.00 N ATOM 0 H LYS A 7 -7.148 8.350 4.873 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.934 8.555 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.231 9.331 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.559 9.522 2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.543 10.888 2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.248 10.674 3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.033 12.432 4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.545 11.594 4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.728 12.419 1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.191 13.285 2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.253 14.731 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.932 14.546 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.514 13.707 3.437 1.00 0.00 H new ATOM 101 N PHE A 8 -5.467 6.774 1.194 1.00 0.00 N ATOM 102 CA PHE A 8 -4.587 5.711 0.639 1.00 0.00 C ATOM 103 C PHE A 8 -3.607 6.345 -0.347 1.00 0.00 C ATOM 104 O PHE A 8 -3.938 7.299 -1.017 1.00 0.00 O ATOM 105 CB PHE A 8 -5.434 4.704 -0.164 1.00 0.00 C ATOM 106 CG PHE A 8 -6.292 3.835 0.729 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.570 4.264 1.091 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.818 2.599 1.184 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.374 3.465 1.915 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.622 1.798 2.010 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.896 2.233 2.377 1.00 0.00 C ATOM 0 H PHE A 8 -6.127 7.172 0.526 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.069 5.217 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.072 5.245 -0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.775 4.071 -0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.940 5.214 0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.833 2.261 0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.362 3.800 2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.255 0.845 2.361 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.513 1.620 3.017 1.00 0.00 H new ATOM 121 N LEU A 9 -2.423 5.803 -0.468 1.00 0.00 N ATOM 122 CA LEU A 9 -1.442 6.352 -1.459 1.00 0.00 C ATOM 123 C LEU A 9 -1.099 5.253 -2.466 1.00 0.00 C ATOM 124 O LEU A 9 -0.447 4.283 -2.134 1.00 0.00 O ATOM 125 CB LEU A 9 -0.161 6.808 -0.754 1.00 0.00 C ATOM 126 CG LEU A 9 0.841 7.352 -1.788 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.262 8.577 -2.490 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.122 7.757 -1.077 1.00 0.00 C ATOM 0 H LEU A 9 -2.091 5.005 0.074 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.885 7.210 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.394 7.579 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.282 5.974 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 9 1.045 6.575 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.980 8.952 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.662 8.302 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.053 9.353 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.836 8.143 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.901 8.530 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.550 6.889 -0.575 1.00 0.00 H new ATOM 140 N VAL A 10 -1.526 5.396 -3.696 1.00 0.00 N ATOM 141 CA VAL A 10 -1.213 4.359 -4.718 1.00 0.00 C ATOM 142 C VAL A 10 0.021 4.792 -5.517 1.00 0.00 C ATOM 143 O VAL A 10 -0.038 5.688 -6.339 1.00 0.00 O ATOM 144 CB VAL A 10 -2.409 4.184 -5.657 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.433 3.254 -5.004 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.063 5.539 -5.929 1.00 0.00 C ATOM 0 H VAL A 10 -2.077 6.186 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.008 3.409 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.064 3.756 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.286 3.127 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.974 2.284 -4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.769 3.687 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.913 5.405 -6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.405 5.973 -4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.337 6.207 -6.394 1.00 0.00 H new ATOM 156 N VAL A 11 1.140 4.166 -5.269 1.00 0.00 N ATOM 157 CA VAL A 11 2.382 4.531 -5.994 1.00 0.00 C ATOM 158 C VAL A 11 2.588 3.576 -7.172 1.00 0.00 C ATOM 159 O VAL A 11 3.185 2.527 -7.034 1.00 0.00 O ATOM 160 CB VAL A 11 3.576 4.433 -5.040 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.843 4.959 -5.726 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.290 5.262 -3.784 1.00 0.00 C ATOM 0 H VAL A 11 1.243 3.412 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 11 2.298 5.552 -6.368 1.00 0.00 H new ATOM 0 HB VAL A 11 3.730 3.390 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.686 4.885 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.048 4.365 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.697 6.001 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.138 5.194 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.131 6.303 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.397 4.879 -3.291 1.00 0.00 H new ATOM 172 N ASP A 12 2.098 3.927 -8.329 1.00 0.00 N ATOM 173 CA ASP A 12 2.268 3.036 -9.512 1.00 0.00 C ATOM 174 C ASP A 12 2.386 3.885 -10.779 1.00 0.00 C ATOM 175 O ASP A 12 1.610 4.790 -11.006 1.00 0.00 O ATOM 176 CB ASP A 12 1.056 2.109 -9.631 1.00 0.00 C ATOM 177 CG ASP A 12 0.529 1.775 -8.235 1.00 0.00 C ATOM 178 OD1 ASP A 12 1.271 1.181 -7.470 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.608 2.118 -7.955 1.00 0.00 O ATOM 0 H ASP A 12 1.587 4.792 -8.507 1.00 0.00 H new ATOM 0 HA ASP A 12 3.172 2.439 -9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.275 2.589 -10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.335 1.194 -10.154 1.00 0.00 H new ATOM 184 N ASP A 13 3.354 3.599 -11.607 1.00 0.00 N ATOM 185 CA ASP A 13 3.519 4.390 -12.859 1.00 0.00 C ATOM 186 C ASP A 13 2.328 4.131 -13.784 1.00 0.00 C ATOM 187 O ASP A 13 1.994 4.943 -14.624 1.00 0.00 O ATOM 188 CB ASP A 13 4.814 3.973 -13.561 1.00 0.00 C ATOM 189 CG ASP A 13 5.661 3.125 -12.612 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.284 1.992 -12.365 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.673 3.624 -12.148 1.00 0.00 O ATOM 0 H ASP A 13 4.036 2.853 -11.471 1.00 0.00 H new ATOM 0 HA ASP A 13 3.566 5.451 -12.616 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.584 3.407 -14.464 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.372 4.856 -13.872 1.00 0.00 H new ATOM 196 N PHE A 14 1.685 3.005 -13.637 1.00 0.00 N ATOM 197 CA PHE A 14 0.517 2.694 -14.506 1.00 0.00 C ATOM 198 C PHE A 14 -0.557 3.767 -14.319 1.00 0.00 C ATOM 199 O PHE A 14 -0.924 4.105 -13.211 1.00 0.00 O ATOM 200 CB PHE A 14 -0.056 1.329 -14.121 1.00 0.00 C ATOM 201 CG PHE A 14 0.411 0.289 -15.111 1.00 0.00 C ATOM 202 CD1 PHE A 14 1.759 0.233 -15.484 1.00 0.00 C ATOM 203 CD2 PHE A 14 -0.505 -0.619 -15.656 1.00 0.00 C ATOM 204 CE1 PHE A 14 2.192 -0.733 -16.401 1.00 0.00 C ATOM 205 CE2 PHE A 14 -0.072 -1.584 -16.573 1.00 0.00 C ATOM 206 CZ PHE A 14 1.276 -1.641 -16.946 1.00 0.00 C ATOM 0 H PHE A 14 1.919 2.287 -12.952 1.00 0.00 H new ATOM 0 HA PHE A 14 0.835 2.674 -15.548 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.265 1.059 -13.115 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.145 1.371 -14.108 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.465 0.935 -15.065 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.545 -0.575 -15.369 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.232 -0.778 -16.688 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.778 -2.285 -16.993 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.609 -2.385 -17.654 1.00 0.00 H new ATOM 216 N SER A 15 -1.066 4.305 -15.393 1.00 0.00 N ATOM 217 CA SER A 15 -2.117 5.354 -15.275 1.00 0.00 C ATOM 218 C SER A 15 -3.481 4.689 -15.082 1.00 0.00 C ATOM 219 O SER A 15 -4.420 5.301 -14.611 1.00 0.00 O ATOM 220 CB SER A 15 -2.138 6.200 -16.548 1.00 0.00 C ATOM 221 OG SER A 15 -2.074 5.344 -17.681 1.00 0.00 O ATOM 0 H SER A 15 -0.799 4.063 -16.347 1.00 0.00 H new ATOM 0 HA SER A 15 -1.899 5.992 -14.419 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.046 6.802 -16.583 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.296 6.892 -16.553 1.00 0.00 H new ATOM 0 HG SER A 15 -2.089 5.883 -18.499 1.00 0.00 H new ATOM 227 N THR A 16 -3.599 3.440 -15.443 1.00 0.00 N ATOM 228 CA THR A 16 -4.902 2.736 -15.281 1.00 0.00 C ATOM 229 C THR A 16 -4.920 1.997 -13.942 1.00 0.00 C ATOM 230 O THR A 16 -5.949 1.868 -13.309 1.00 0.00 O ATOM 231 CB THR A 16 -5.082 1.730 -16.421 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.014 0.733 -16.025 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.737 1.076 -16.742 1.00 0.00 C ATOM 0 H THR A 16 -2.849 2.877 -15.843 1.00 0.00 H new ATOM 0 HA THR A 16 -5.714 3.463 -15.305 1.00 0.00 H new ATOM 0 HB THR A 16 -5.454 2.244 -17.307 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.133 0.088 -16.753 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.865 0.360 -17.554 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.023 1.842 -17.044 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.363 0.559 -15.858 1.00 0.00 H new ATOM 241 N MET A 17 -3.791 1.509 -13.505 1.00 0.00 N ATOM 242 CA MET A 17 -3.752 0.779 -12.207 1.00 0.00 C ATOM 243 C MET A 17 -4.271 1.693 -11.096 1.00 0.00 C ATOM 244 O MET A 17 -4.847 1.240 -10.129 1.00 0.00 O ATOM 245 CB MET A 17 -2.313 0.358 -11.897 1.00 0.00 C ATOM 246 CG MET A 17 -2.274 -0.371 -10.554 1.00 0.00 C ATOM 247 SD MET A 17 -0.719 -1.287 -10.408 1.00 0.00 S ATOM 248 CE MET A 17 -0.939 -1.835 -8.697 1.00 0.00 C ATOM 0 H MET A 17 -2.897 1.584 -13.989 1.00 0.00 H new ATOM 0 HA MET A 17 -4.380 -0.110 -12.270 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.935 -0.291 -12.687 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.665 1.234 -11.867 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.365 0.345 -9.737 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.120 -1.054 -10.474 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.496 -2.823 -8.571 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.451 -1.130 -8.024 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.003 -1.883 -8.464 1.00 0.00 H new ATOM 258 N ARG A 18 -4.081 2.976 -11.222 1.00 0.00 N ATOM 259 CA ARG A 18 -4.583 3.898 -10.166 1.00 0.00 C ATOM 260 C ARG A 18 -6.108 3.958 -10.253 1.00 0.00 C ATOM 261 O ARG A 18 -6.795 4.067 -9.257 1.00 0.00 O ATOM 262 CB ARG A 18 -4.005 5.298 -10.376 1.00 0.00 C ATOM 263 CG ARG A 18 -2.656 5.196 -11.090 1.00 0.00 C ATOM 264 CD ARG A 18 -1.850 6.472 -10.844 1.00 0.00 C ATOM 265 NE ARG A 18 -0.919 6.700 -11.984 1.00 0.00 N ATOM 266 CZ ARG A 18 -0.678 7.915 -12.398 1.00 0.00 C ATOM 267 NH1 ARG A 18 -1.650 8.782 -12.472 1.00 0.00 N ATOM 268 NH2 ARG A 18 0.533 8.262 -12.737 1.00 0.00 N ATOM 0 H ARG A 18 -3.604 3.424 -12.004 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.276 3.534 -9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.695 5.902 -10.965 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.882 5.799 -9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.105 4.329 -10.726 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.809 5.050 -12.159 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.522 7.323 -10.734 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.288 6.386 -9.914 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.469 5.907 -12.442 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.597 8.511 -12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.463 9.731 -12.795 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.293 7.584 -12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.720 9.211 -13.060 1.00 0.00 H new ATOM 282 N ARG A 19 -6.639 3.878 -11.443 1.00 0.00 N ATOM 283 CA ARG A 19 -8.118 3.919 -11.601 1.00 0.00 C ATOM 284 C ARG A 19 -8.702 2.568 -11.188 1.00 0.00 C ATOM 285 O ARG A 19 -9.886 2.433 -10.953 1.00 0.00 O ATOM 286 CB ARG A 19 -8.467 4.201 -13.065 1.00 0.00 C ATOM 287 CG ARG A 19 -9.988 4.218 -13.234 1.00 0.00 C ATOM 288 CD ARG A 19 -10.392 5.410 -14.105 1.00 0.00 C ATOM 289 NE ARG A 19 -11.864 5.377 -14.339 1.00 0.00 N ATOM 290 CZ ARG A 19 -12.602 6.396 -13.992 1.00 0.00 C ATOM 291 NH1 ARG A 19 -13.072 6.478 -12.778 1.00 0.00 N ATOM 292 NH2 ARG A 19 -12.872 7.331 -14.861 1.00 0.00 N ATOM 0 H ARG A 19 -6.112 3.786 -12.311 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.534 4.707 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.046 5.158 -13.372 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.028 3.438 -13.708 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.324 3.288 -13.693 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.472 4.285 -12.260 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.111 6.343 -13.616 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.861 5.376 -15.056 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.294 4.559 -14.770 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.863 5.746 -12.100 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.649 7.275 -12.507 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.506 7.265 -15.811 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.449 8.128 -14.590 1.00 0.00 H new ATOM 306 N ILE A 20 -7.873 1.562 -11.101 1.00 0.00 N ATOM 307 CA ILE A 20 -8.364 0.212 -10.707 1.00 0.00 C ATOM 308 C ILE A 20 -8.629 0.185 -9.201 1.00 0.00 C ATOM 309 O ILE A 20 -9.679 -0.234 -8.750 1.00 0.00 O ATOM 310 CB ILE A 20 -7.292 -0.835 -11.035 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.347 -1.222 -12.527 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.482 -2.076 -10.155 1.00 0.00 C ATOM 313 CD1 ILE A 20 -8.688 -1.875 -12.896 1.00 0.00 C ATOM 0 H ILE A 20 -6.872 1.619 -11.287 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.282 -0.009 -11.251 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.312 -0.404 -10.830 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.194 -0.333 -13.139 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.533 -1.910 -12.755 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.716 -2.813 -10.396 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.398 -1.794 -9.105 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.468 -2.504 -10.338 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.688 -2.133 -13.955 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.828 -2.778 -12.302 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.500 -1.177 -12.693 1.00 0.00 H new ATOM 325 N VAL A 21 -7.675 0.608 -8.419 1.00 0.00 N ATOM 326 CA VAL A 21 -7.859 0.587 -6.943 1.00 0.00 C ATOM 327 C VAL A 21 -8.863 1.664 -6.518 1.00 0.00 C ATOM 328 O VAL A 21 -9.596 1.498 -5.564 1.00 0.00 O ATOM 329 CB VAL A 21 -6.514 0.821 -6.255 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.072 -0.471 -5.570 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.467 1.221 -7.297 1.00 0.00 C ATOM 0 H VAL A 21 -6.776 0.967 -8.739 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.249 -0.387 -6.647 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.615 1.617 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.113 -0.312 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.817 -0.763 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.971 -1.261 -6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.509 1.387 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.363 0.424 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.782 2.137 -7.796 1.00 0.00 H new ATOM 341 N ARG A 22 -8.907 2.762 -7.220 1.00 0.00 N ATOM 342 CA ARG A 22 -9.871 3.844 -6.858 1.00 0.00 C ATOM 343 C ARG A 22 -11.257 3.236 -6.636 1.00 0.00 C ATOM 344 O ARG A 22 -11.887 3.442 -5.618 1.00 0.00 O ATOM 345 CB ARG A 22 -9.954 4.849 -8.011 1.00 0.00 C ATOM 346 CG ARG A 22 -9.207 6.142 -7.660 1.00 0.00 C ATOM 347 CD ARG A 22 -10.130 7.062 -6.858 1.00 0.00 C ATOM 348 NE ARG A 22 -10.987 7.840 -7.795 1.00 0.00 N ATOM 349 CZ ARG A 22 -12.279 7.659 -7.802 1.00 0.00 C ATOM 350 NH1 ARG A 22 -13.028 8.267 -6.922 1.00 0.00 N ATOM 351 NH2 ARG A 22 -12.823 6.872 -8.689 1.00 0.00 N ATOM 0 H ARG A 22 -8.318 2.959 -8.029 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.534 4.342 -5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.528 4.411 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.998 5.074 -8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.312 5.912 -7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.878 6.643 -8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.751 6.474 -6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.540 7.739 -6.240 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.564 8.515 -8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.603 8.883 -6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.038 8.126 -6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.238 6.398 -9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.833 6.731 -8.694 1.00 0.00 H new ATOM 365 N ASN A 23 -11.736 2.497 -7.595 1.00 0.00 N ATOM 366 CA ASN A 23 -13.070 1.872 -7.482 1.00 0.00 C ATOM 367 C ASN A 23 -13.033 0.766 -6.440 1.00 0.00 C ATOM 368 O ASN A 23 -13.783 0.765 -5.485 1.00 0.00 O ATOM 369 CB ASN A 23 -13.383 1.254 -8.829 1.00 0.00 C ATOM 370 CG ASN A 23 -14.804 1.622 -9.261 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.614 0.756 -9.528 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.143 2.879 -9.341 1.00 0.00 N ATOM 0 H ASN A 23 -11.245 2.299 -8.467 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.817 2.611 -7.191 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.667 1.603 -9.573 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.281 0.170 -8.773 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.088 3.135 -9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.463 3.606 -9.117 1.00 0.00 H new ATOM 379 N LEU A 24 -12.163 -0.180 -6.645 1.00 0.00 N ATOM 380 CA LEU A 24 -12.039 -1.326 -5.702 1.00 0.00 C ATOM 381 C LEU A 24 -12.164 -0.817 -4.262 1.00 0.00 C ATOM 382 O LEU A 24 -13.065 -1.193 -3.538 1.00 0.00 O ATOM 383 CB LEU A 24 -10.664 -1.962 -5.906 1.00 0.00 C ATOM 384 CG LEU A 24 -10.605 -3.379 -5.293 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.087 -4.358 -6.347 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.663 -3.424 -4.077 1.00 0.00 C ATOM 0 H LEU A 24 -11.522 -0.209 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.824 -2.059 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.440 -2.015 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.899 -1.334 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.609 -3.651 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.043 -5.361 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.759 -4.357 -7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.090 -4.055 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.644 -4.435 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.657 -3.138 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.020 -2.732 -3.315 1.00 0.00 H new ATOM 398 N LEU A 25 -11.278 0.046 -3.846 1.00 0.00 N ATOM 399 CA LEU A 25 -11.364 0.589 -2.460 1.00 0.00 C ATOM 400 C LEU A 25 -12.778 1.116 -2.227 1.00 0.00 C ATOM 401 O LEU A 25 -13.425 0.780 -1.255 1.00 0.00 O ATOM 402 CB LEU A 25 -10.357 1.734 -2.297 1.00 0.00 C ATOM 403 CG LEU A 25 -8.959 1.173 -2.005 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.944 2.316 -2.034 1.00 0.00 C ATOM 405 CD2 LEU A 25 -8.926 0.508 -0.621 1.00 0.00 C ATOM 0 H LEU A 25 -10.500 0.398 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.136 -0.195 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.332 2.338 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.670 2.391 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.712 0.429 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.948 1.924 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.952 2.785 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.207 3.055 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.927 0.115 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.179 1.244 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.648 -0.308 -0.592 1.00 0.00 H new ATOM 417 N LYS A 26 -13.269 1.935 -3.117 1.00 0.00 N ATOM 418 CA LYS A 26 -14.642 2.471 -2.948 1.00 0.00 C ATOM 419 C LYS A 26 -15.593 1.312 -2.645 1.00 0.00 C ATOM 420 O LYS A 26 -16.558 1.457 -1.920 1.00 0.00 O ATOM 421 CB LYS A 26 -15.080 3.170 -4.236 1.00 0.00 C ATOM 422 CG LYS A 26 -16.049 4.305 -3.898 1.00 0.00 C ATOM 423 CD LYS A 26 -16.874 4.658 -5.137 1.00 0.00 C ATOM 424 CE LYS A 26 -17.580 5.997 -4.917 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.995 5.893 -5.372 1.00 0.00 N ATOM 0 H LYS A 26 -12.777 2.254 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.661 3.188 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.210 3.565 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.560 2.455 -4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.708 4.005 -3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.496 5.179 -3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.228 4.715 -6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.608 3.876 -5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.545 6.270 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.067 6.786 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.475 6.803 -5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -19.018 5.651 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.481 5.152 -4.828 1.00 0.00 H new ATOM 439 N GLU A 27 -15.326 0.161 -3.200 1.00 0.00 N ATOM 440 CA GLU A 27 -16.206 -1.011 -2.953 1.00 0.00 C ATOM 441 C GLU A 27 -16.443 -1.164 -1.453 1.00 0.00 C ATOM 442 O GLU A 27 -17.566 -1.271 -1.000 1.00 0.00 O ATOM 443 CB GLU A 27 -15.541 -2.278 -3.496 1.00 0.00 C ATOM 444 CG GLU A 27 -16.596 -3.373 -3.670 1.00 0.00 C ATOM 445 CD GLU A 27 -17.051 -3.418 -5.129 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.962 -2.681 -5.468 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.482 -4.190 -5.884 1.00 0.00 O ATOM 0 H GLU A 27 -14.532 -0.016 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.160 -0.858 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.059 -2.068 -4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.762 -2.614 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.184 -4.339 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.448 -3.178 -3.018 1.00 0.00 H new ATOM 454 N LEU A 28 -15.396 -1.173 -0.676 1.00 0.00 N ATOM 455 CA LEU A 28 -15.573 -1.317 0.795 1.00 0.00 C ATOM 456 C LEU A 28 -16.187 -0.036 1.349 1.00 0.00 C ATOM 457 O LEU A 28 -17.141 -0.069 2.102 1.00 0.00 O ATOM 458 CB LEU A 28 -14.215 -1.560 1.467 1.00 0.00 C ATOM 459 CG LEU A 28 -14.421 -1.895 2.952 1.00 0.00 C ATOM 460 CD1 LEU A 28 -15.202 -3.205 3.097 1.00 0.00 C ATOM 461 CD2 LEU A 28 -13.060 -2.050 3.635 1.00 0.00 C ATOM 0 H LEU A 28 -14.431 -1.087 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.227 -2.165 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.694 -2.378 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.587 -0.675 1.368 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.984 -1.086 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.341 -3.431 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.175 -3.103 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.646 -4.014 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.207 -2.288 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.502 -2.854 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.501 -1.118 3.548 1.00 0.00 H new ATOM 473 N GLY A 29 -15.645 1.090 0.978 1.00 0.00 N ATOM 474 CA GLY A 29 -16.179 2.375 1.469 1.00 0.00 C ATOM 475 C GLY A 29 -15.023 3.332 1.748 1.00 0.00 C ATOM 476 O GLY A 29 -14.596 3.485 2.868 1.00 0.00 O ATOM 0 H GLY A 29 -14.846 1.168 0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.853 2.807 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.761 2.216 2.377 1.00 0.00 H new ATOM 480 N PHE A 30 -14.517 3.976 0.737 1.00 0.00 N ATOM 481 CA PHE A 30 -13.396 4.941 0.947 1.00 0.00 C ATOM 482 C PHE A 30 -13.484 6.042 -0.114 1.00 0.00 C ATOM 483 O PHE A 30 -13.935 5.811 -1.218 1.00 0.00 O ATOM 484 CB PHE A 30 -12.046 4.231 0.812 1.00 0.00 C ATOM 485 CG PHE A 30 -11.867 3.223 1.924 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.737 3.651 3.251 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.809 1.858 1.623 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.554 2.711 4.274 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.622 0.921 2.643 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.495 1.347 3.969 1.00 0.00 C ATOM 0 H PHE A 30 -14.829 3.878 -0.229 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.476 5.365 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.986 3.730 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.239 4.963 0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.778 4.704 3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.909 1.527 0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.458 3.040 5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.576 -0.132 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.351 0.623 4.757 1.00 0.00 H new ATOM 500 N ASN A 31 -13.056 7.236 0.200 1.00 0.00 N ATOM 501 CA ASN A 31 -13.123 8.331 -0.812 1.00 0.00 C ATOM 502 C ASN A 31 -11.990 9.337 -0.580 1.00 0.00 C ATOM 503 O ASN A 31 -12.229 10.489 -0.272 1.00 0.00 O ATOM 504 CB ASN A 31 -14.470 9.048 -0.696 1.00 0.00 C ATOM 505 CG ASN A 31 -14.609 10.058 -1.836 1.00 0.00 C ATOM 506 OD1 ASN A 31 -15.004 11.187 -1.619 1.00 0.00 O ATOM 507 ND2 ASN A 31 -14.299 9.698 -3.052 1.00 0.00 N ATOM 0 H ASN A 31 -12.666 7.499 1.105 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.017 7.901 -1.808 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.284 8.324 -0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.542 9.556 0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.388 10.364 -3.819 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.967 8.751 -3.235 1.00 0.00 H new ATOM 514 N ASN A 32 -10.757 8.923 -0.726 1.00 0.00 N ATOM 515 CA ASN A 32 -9.621 9.868 -0.515 1.00 0.00 C ATOM 516 C ASN A 32 -8.305 9.153 -0.828 1.00 0.00 C ATOM 517 O ASN A 32 -7.832 8.346 -0.056 1.00 0.00 O ATOM 518 CB ASN A 32 -9.605 10.335 0.942 1.00 0.00 C ATOM 519 CG ASN A 32 -9.469 11.857 0.992 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.609 12.398 1.810 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -10.154 12.563 0.278 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.489 7.973 -0.982 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.740 10.730 -1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.522 10.025 1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.777 9.868 1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.827 12.141 -0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.056 13.577 0.319 1.00 0.00 H new ATOM 528 N VAL A 33 -7.714 9.427 -1.958 1.00 0.00 N ATOM 529 CA VAL A 33 -6.434 8.744 -2.301 1.00 0.00 C ATOM 530 C VAL A 33 -5.568 9.650 -3.183 1.00 0.00 C ATOM 531 O VAL A 33 -6.077 10.458 -3.934 1.00 0.00 O ATOM 532 CB VAL A 33 -6.753 7.452 -3.050 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.895 7.705 -4.030 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.519 6.982 -3.821 1.00 0.00 C ATOM 0 H VAL A 33 -8.058 10.089 -2.654 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.884 8.522 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.045 6.683 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.125 6.784 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.777 8.036 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.599 8.475 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.752 6.060 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.223 7.749 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.701 6.801 -3.123 1.00 0.00 H new ATOM 544 N GLU A 34 -4.264 9.497 -3.117 1.00 0.00 N ATOM 545 CA GLU A 34 -3.361 10.319 -3.973 1.00 0.00 C ATOM 546 C GLU A 34 -2.548 9.367 -4.845 1.00 0.00 C ATOM 547 O GLU A 34 -2.824 8.184 -4.891 1.00 0.00 O ATOM 548 CB GLU A 34 -2.430 11.164 -3.101 1.00 0.00 C ATOM 549 CG GLU A 34 -3.206 12.345 -2.516 1.00 0.00 C ATOM 550 CD GLU A 34 -3.529 13.348 -3.625 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.943 13.234 -4.689 1.00 0.00 O ATOM 552 OE2 GLU A 34 -4.358 14.212 -3.393 1.00 0.00 O ATOM 0 H GLU A 34 -3.790 8.834 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.944 10.997 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.015 10.555 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.589 11.526 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.127 11.993 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.619 12.828 -1.735 1.00 0.00 H new ATOM 559 N GLU A 35 -1.559 9.858 -5.537 1.00 0.00 N ATOM 560 CA GLU A 35 -0.758 8.956 -6.415 1.00 0.00 C ATOM 561 C GLU A 35 0.698 9.407 -6.467 1.00 0.00 C ATOM 562 O GLU A 35 1.021 10.561 -6.264 1.00 0.00 O ATOM 563 CB GLU A 35 -1.313 8.983 -7.849 1.00 0.00 C ATOM 564 CG GLU A 35 -2.845 8.980 -7.844 1.00 0.00 C ATOM 565 CD GLU A 35 -3.368 10.355 -7.420 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.669 11.329 -7.644 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.460 10.410 -6.877 1.00 0.00 O ATOM 0 H GLU A 35 -1.271 10.836 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.820 7.950 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.949 9.870 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.946 8.118 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.220 8.729 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.214 8.215 -7.161 1.00 0.00 H new ATOM 574 N ALA A 36 1.571 8.492 -6.770 1.00 0.00 N ATOM 575 CA ALA A 36 3.015 8.825 -6.883 1.00 0.00 C ATOM 576 C ALA A 36 3.604 7.983 -8.009 1.00 0.00 C ATOM 577 O ALA A 36 2.881 7.458 -8.834 1.00 0.00 O ATOM 578 CB ALA A 36 3.727 8.525 -5.565 1.00 0.00 C ATOM 0 H ALA A 36 1.342 7.514 -6.947 1.00 0.00 H new ATOM 0 HA ALA A 36 3.145 9.885 -7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.784 8.772 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.284 9.122 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.622 7.466 -5.327 1.00 0.00 H new ATOM 584 N GLU A 37 4.899 7.859 -8.064 1.00 0.00 N ATOM 585 CA GLU A 37 5.522 7.057 -9.160 1.00 0.00 C ATOM 586 C GLU A 37 6.653 6.180 -8.616 1.00 0.00 C ATOM 587 O GLU A 37 7.182 5.347 -9.324 1.00 0.00 O ATOM 588 CB GLU A 37 6.086 8.006 -10.220 1.00 0.00 C ATOM 589 CG GLU A 37 5.010 9.014 -10.630 1.00 0.00 C ATOM 590 CD GLU A 37 5.512 9.841 -11.816 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.509 10.525 -11.656 1.00 0.00 O ATOM 592 OE2 GLU A 37 4.890 9.775 -12.864 1.00 0.00 O ATOM 0 H GLU A 37 5.554 8.275 -7.402 1.00 0.00 H new ATOM 0 HA GLU A 37 4.760 6.412 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.958 8.529 -9.828 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.419 7.440 -11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.092 8.492 -10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.771 9.668 -9.792 1.00 0.00 H new ATOM 599 N ASP A 38 7.029 6.345 -7.373 1.00 0.00 N ATOM 600 CA ASP A 38 8.133 5.504 -6.815 1.00 0.00 C ATOM 601 C ASP A 38 8.346 5.835 -5.336 1.00 0.00 C ATOM 602 O ASP A 38 7.528 6.476 -4.708 1.00 0.00 O ATOM 603 CB ASP A 38 9.443 5.771 -7.570 1.00 0.00 C ATOM 604 CG ASP A 38 10.282 4.498 -7.568 1.00 0.00 C ATOM 605 OD1 ASP A 38 10.150 3.731 -6.628 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.038 4.308 -8.506 1.00 0.00 O ATOM 0 H ASP A 38 6.624 7.020 -6.724 1.00 0.00 H new ATOM 0 HA ASP A 38 7.853 4.456 -6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.232 6.082 -8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.992 6.585 -7.097 1.00 0.00 H new ATOM 611 N GLY A 39 9.449 5.406 -4.780 1.00 0.00 N ATOM 612 CA GLY A 39 9.724 5.696 -3.346 1.00 0.00 C ATOM 613 C GLY A 39 10.236 7.127 -3.212 1.00 0.00 C ATOM 614 O GLY A 39 10.069 7.760 -2.190 1.00 0.00 O ATOM 0 H GLY A 39 10.170 4.867 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.817 5.565 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.462 4.995 -2.956 1.00 0.00 H new ATOM 618 N VAL A 40 10.844 7.655 -4.238 1.00 0.00 N ATOM 619 CA VAL A 40 11.335 9.056 -4.155 1.00 0.00 C ATOM 620 C VAL A 40 10.129 9.983 -4.286 1.00 0.00 C ATOM 621 O VAL A 40 9.988 10.954 -3.564 1.00 0.00 O ATOM 622 CB VAL A 40 12.337 9.329 -5.283 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.596 9.478 -6.614 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.101 10.619 -4.979 1.00 0.00 C ATOM 0 H VAL A 40 11.020 7.180 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 40 11.841 9.226 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 40 13.035 8.495 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.314 9.672 -7.411 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.051 8.559 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.894 10.309 -6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.815 10.816 -5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.399 11.449 -4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.635 10.512 -4.035 1.00 0.00 H new ATOM 634 N ASP A 41 9.239 9.666 -5.186 1.00 0.00 N ATOM 635 CA ASP A 41 8.023 10.495 -5.358 1.00 0.00 C ATOM 636 C ASP A 41 7.148 10.313 -4.123 1.00 0.00 C ATOM 637 O ASP A 41 6.625 11.260 -3.569 1.00 0.00 O ATOM 638 CB ASP A 41 7.268 10.020 -6.596 1.00 0.00 C ATOM 639 CG ASP A 41 6.374 11.144 -7.121 1.00 0.00 C ATOM 640 OD1 ASP A 41 6.835 12.274 -7.159 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.242 10.858 -7.477 1.00 0.00 O ATOM 0 H ASP A 41 9.307 8.863 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 41 8.286 11.546 -5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.974 9.714 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.664 9.146 -6.352 1.00 0.00 H new ATOM 646 N ALA A 42 7.005 9.095 -3.673 1.00 0.00 N ATOM 647 CA ALA A 42 6.187 8.847 -2.459 1.00 0.00 C ATOM 648 C ALA A 42 6.873 9.525 -1.275 1.00 0.00 C ATOM 649 O ALA A 42 6.274 10.297 -0.566 1.00 0.00 O ATOM 650 CB ALA A 42 6.098 7.345 -2.206 1.00 0.00 C ATOM 0 H ALA A 42 7.420 8.265 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 42 5.181 9.246 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.498 7.161 -1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.633 6.859 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.100 6.941 -2.059 1.00 0.00 H new ATOM 656 N LEU A 43 8.134 9.246 -1.067 1.00 0.00 N ATOM 657 CA LEU A 43 8.865 9.882 0.067 1.00 0.00 C ATOM 658 C LEU A 43 8.504 11.366 0.130 1.00 0.00 C ATOM 659 O LEU A 43 8.364 11.938 1.194 1.00 0.00 O ATOM 660 CB LEU A 43 10.374 9.730 -0.143 1.00 0.00 C ATOM 661 CG LEU A 43 11.124 10.486 0.955 1.00 0.00 C ATOM 662 CD1 LEU A 43 12.259 9.614 1.492 1.00 0.00 C ATOM 663 CD2 LEU A 43 11.704 11.778 0.376 1.00 0.00 C ATOM 0 H LEU A 43 8.688 8.605 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 43 8.582 9.396 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.649 8.675 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.656 10.117 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 43 10.437 10.726 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.793 10.153 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.847 8.693 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.948 9.374 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.239 12.319 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.391 11.537 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.895 12.400 -0.007 1.00 0.00 H new ATOM 675 N ASN A 44 8.332 11.991 -1.003 1.00 0.00 N ATOM 676 CA ASN A 44 7.959 13.433 -1.004 1.00 0.00 C ATOM 677 C ASN A 44 6.508 13.575 -0.536 1.00 0.00 C ATOM 678 O ASN A 44 6.149 14.528 0.128 1.00 0.00 O ATOM 679 CB ASN A 44 8.102 13.997 -2.421 1.00 0.00 C ATOM 680 CG ASN A 44 9.549 14.435 -2.652 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.148 15.069 -1.806 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.141 14.121 -3.772 1.00 0.00 N ATOM 0 H ASN A 44 8.433 11.567 -1.925 1.00 0.00 H new ATOM 0 HA ASN A 44 8.616 13.985 -0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.818 13.243 -3.155 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.429 14.843 -2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.106 14.408 -3.937 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.639 13.589 -4.483 1.00 0.00 H new ATOM 689 N LYS A 45 5.672 12.630 -0.874 1.00 0.00 N ATOM 690 CA LYS A 45 4.243 12.700 -0.448 1.00 0.00 C ATOM 691 C LYS A 45 4.099 12.084 0.946 1.00 0.00 C ATOM 692 O LYS A 45 3.572 12.701 1.850 1.00 0.00 O ATOM 693 CB LYS A 45 3.374 11.926 -1.445 1.00 0.00 C ATOM 694 CG LYS A 45 3.508 12.553 -2.836 1.00 0.00 C ATOM 695 CD LYS A 45 2.483 13.678 -2.996 1.00 0.00 C ATOM 696 CE LYS A 45 1.181 13.108 -3.560 1.00 0.00 C ATOM 697 NZ LYS A 45 0.054 14.026 -3.230 1.00 0.00 N ATOM 0 H LYS A 45 5.918 11.810 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 45 3.920 13.741 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.680 10.880 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.332 11.944 -1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.516 12.944 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.353 11.795 -3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.297 14.154 -2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.874 14.448 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.262 12.988 -4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.993 12.119 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.832 13.639 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.027 14.119 -2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.234 14.961 -3.649 1.00 0.00 H new ATOM 711 N LEU A 46 4.563 10.873 1.120 1.00 0.00 N ATOM 712 CA LEU A 46 4.471 10.198 2.449 1.00 0.00 C ATOM 713 C LEU A 46 4.796 11.208 3.556 1.00 0.00 C ATOM 714 O LEU A 46 4.411 11.040 4.696 1.00 0.00 O ATOM 715 CB LEU A 46 5.501 9.058 2.511 1.00 0.00 C ATOM 716 CG LEU A 46 4.812 7.688 2.593 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.918 7.610 3.832 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.967 7.462 1.342 1.00 0.00 C ATOM 0 H LEU A 46 5.007 10.317 0.389 1.00 0.00 H new ATOM 0 HA LEU A 46 3.464 9.804 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.140 9.094 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.147 9.195 3.378 1.00 0.00 H new ATOM 0 HG LEU A 46 5.579 6.917 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.438 6.632 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.523 7.755 4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.155 8.387 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.479 6.489 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.210 8.243 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.607 7.492 0.460 1.00 0.00 H new ATOM 730 N GLN A 47 5.503 12.258 3.225 1.00 0.00 N ATOM 731 CA GLN A 47 5.854 13.278 4.253 1.00 0.00 C ATOM 732 C GLN A 47 4.577 13.712 4.958 1.00 0.00 C ATOM 733 O GLN A 47 4.529 13.831 6.165 1.00 0.00 O ATOM 734 CB GLN A 47 6.509 14.487 3.580 1.00 0.00 C ATOM 735 CG GLN A 47 6.972 15.481 4.648 1.00 0.00 C ATOM 736 CD GLN A 47 8.497 15.595 4.615 1.00 0.00 C ATOM 737 OE1 GLN A 47 9.155 15.375 5.613 1.00 0.00 O ATOM 738 NE2 GLN A 47 9.091 15.932 3.503 1.00 0.00 N ATOM 0 H GLN A 47 5.852 12.451 2.286 1.00 0.00 H new ATOM 0 HA GLN A 47 6.554 12.856 4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.358 14.165 2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.801 14.967 2.904 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.520 16.457 4.471 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.643 15.151 5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.539 16.117 2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.107 16.011 3.471 1.00 0.00 H new ATOM 747 N ALA A 48 3.538 13.934 4.205 1.00 0.00 N ATOM 748 CA ALA A 48 2.250 14.344 4.818 1.00 0.00 C ATOM 749 C ALA A 48 1.962 13.416 5.996 1.00 0.00 C ATOM 750 O ALA A 48 1.800 13.850 7.119 1.00 0.00 O ATOM 751 CB ALA A 48 1.130 14.232 3.782 1.00 0.00 C ATOM 0 H ALA A 48 3.527 13.848 3.189 1.00 0.00 H new ATOM 0 HA ALA A 48 2.307 15.377 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.185 14.533 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.351 14.882 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.055 13.201 3.438 1.00 0.00 H new ATOM 757 N GLY A 49 1.913 12.135 5.748 1.00 0.00 N ATOM 758 CA GLY A 49 1.654 11.174 6.856 1.00 0.00 C ATOM 759 C GLY A 49 0.151 10.978 7.019 1.00 0.00 C ATOM 760 O GLY A 49 -0.299 10.007 7.594 1.00 0.00 O ATOM 0 H GLY A 49 2.041 11.714 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.135 10.219 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.085 11.548 7.784 1.00 0.00 H new ATOM 764 N GLY A 50 -0.630 11.888 6.511 1.00 0.00 N ATOM 765 CA GLY A 50 -2.103 11.741 6.634 1.00 0.00 C ATOM 766 C GLY A 50 -2.522 10.440 5.955 1.00 0.00 C ATOM 767 O GLY A 50 -3.669 10.045 6.003 1.00 0.00 O ATOM 0 H GLY A 50 -0.313 12.723 6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.396 11.731 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.608 12.589 6.171 1.00 0.00 H new ATOM 771 N TYR A 51 -1.596 9.771 5.320 1.00 0.00 N ATOM 772 CA TYR A 51 -1.935 8.502 4.633 1.00 0.00 C ATOM 773 C TYR A 51 -2.111 7.388 5.647 1.00 0.00 C ATOM 774 O TYR A 51 -1.211 6.605 5.879 1.00 0.00 O ATOM 775 CB TYR A 51 -0.810 8.108 3.684 1.00 0.00 C ATOM 776 CG TYR A 51 -0.744 9.093 2.553 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.809 9.196 1.652 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.378 9.914 2.414 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.747 10.126 0.611 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.442 10.841 1.372 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.622 10.950 0.468 1.00 0.00 C ATOM 782 OH TYR A 51 -0.562 11.868 -0.561 1.00 0.00 O ATOM 0 H TYR A 51 -0.619 10.054 5.250 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.862 8.651 4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.140 8.086 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.981 7.104 3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.675 8.560 1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.197 9.831 3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.568 10.210 -0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.311 11.473 1.263 1.00 0.00 H new ATOM 0 HH TYR A 51 0.286 12.358 -0.514 1.00 0.00 H new ATOM 792 N GLY A 52 -3.267 7.272 6.227 1.00 0.00 N ATOM 793 CA GLY A 52 -3.482 6.165 7.189 1.00 0.00 C ATOM 794 C GLY A 52 -3.217 4.850 6.459 1.00 0.00 C ATOM 795 O GLY A 52 -3.268 3.784 7.036 1.00 0.00 O ATOM 0 H GLY A 52 -4.065 7.889 6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.814 6.268 8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.501 6.188 7.576 1.00 0.00 H new ATOM 799 N PHE A 53 -2.948 4.924 5.179 1.00 0.00 N ATOM 800 CA PHE A 53 -2.691 3.690 4.399 1.00 0.00 C ATOM 801 C PHE A 53 -1.846 4.012 3.161 1.00 0.00 C ATOM 802 O PHE A 53 -1.994 5.050 2.539 1.00 0.00 O ATOM 803 CB PHE A 53 -4.020 3.143 3.938 1.00 0.00 C ATOM 804 CG PHE A 53 -4.151 1.689 4.297 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.580 1.328 5.575 1.00 0.00 C ATOM 806 CD2 PHE A 53 -3.882 0.704 3.344 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.740 -0.014 5.905 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.045 -0.641 3.668 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.475 -1.005 4.951 1.00 0.00 C ATOM 0 H PHE A 53 -2.897 5.792 4.646 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.159 2.970 5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.831 3.710 4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.115 3.266 2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.788 2.092 6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.548 0.985 2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.068 -0.292 6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.840 -1.403 2.931 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.602 -2.047 5.204 1.00 0.00 H new ATOM 819 N VAL A 54 -0.976 3.120 2.787 1.00 0.00 N ATOM 820 CA VAL A 54 -0.132 3.355 1.586 1.00 0.00 C ATOM 821 C VAL A 54 0.016 2.034 0.821 1.00 0.00 C ATOM 822 O VAL A 54 0.561 1.068 1.322 1.00 0.00 O ATOM 823 CB VAL A 54 1.239 3.868 2.034 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.161 4.034 0.823 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.082 5.218 2.738 1.00 0.00 C ATOM 0 H VAL A 54 -0.812 2.233 3.264 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.592 4.097 0.933 1.00 0.00 H new ATOM 0 HB VAL A 54 1.676 3.145 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.133 4.399 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.285 3.072 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.722 4.749 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.060 5.579 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.635 5.937 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.438 5.101 3.610 1.00 0.00 H new ATOM 835 N ILE A 55 -0.478 1.984 -0.387 1.00 0.00 N ATOM 836 CA ILE A 55 -0.381 0.731 -1.195 1.00 0.00 C ATOM 837 C ILE A 55 0.713 0.907 -2.252 1.00 0.00 C ATOM 838 O ILE A 55 0.619 1.763 -3.111 1.00 0.00 O ATOM 839 CB ILE A 55 -1.722 0.469 -1.886 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.747 1.506 -1.419 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.215 -0.936 -1.528 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.107 1.210 -2.053 1.00 0.00 C ATOM 0 H ILE A 55 -0.947 2.761 -0.852 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.137 -0.112 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.596 0.544 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.830 1.486 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.417 2.507 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.170 -1.123 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.485 -1.674 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.342 -1.013 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.833 1.950 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.019 1.253 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.439 0.215 -1.755 1.00 0.00 H new ATOM 854 N SER A 56 1.748 0.107 -2.190 1.00 0.00 N ATOM 855 CA SER A 56 2.860 0.220 -3.182 1.00 0.00 C ATOM 856 C SER A 56 3.005 -1.098 -3.946 1.00 0.00 C ATOM 857 O SER A 56 2.450 -2.109 -3.566 1.00 0.00 O ATOM 858 CB SER A 56 4.166 0.526 -2.447 1.00 0.00 C ATOM 859 OG SER A 56 4.558 -0.613 -1.692 1.00 0.00 O ATOM 0 H SER A 56 1.871 -0.624 -1.490 1.00 0.00 H new ATOM 0 HA SER A 56 2.637 1.023 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.946 0.789 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.034 1.385 -1.789 1.00 0.00 H new ATOM 0 HG SER A 56 5.396 -0.421 -1.221 1.00 0.00 H new ATOM 865 N ASP A 57 3.747 -1.089 -5.020 1.00 0.00 N ATOM 866 CA ASP A 57 3.933 -2.338 -5.813 1.00 0.00 C ATOM 867 C ASP A 57 5.229 -3.027 -5.382 1.00 0.00 C ATOM 868 O ASP A 57 5.308 -3.611 -4.319 1.00 0.00 O ATOM 869 CB ASP A 57 4.013 -1.988 -7.301 1.00 0.00 C ATOM 870 CG ASP A 57 2.631 -1.566 -7.804 1.00 0.00 C ATOM 871 OD1 ASP A 57 1.675 -2.265 -7.507 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.551 -0.553 -8.479 1.00 0.00 O ATOM 0 H ASP A 57 4.233 -0.269 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 57 3.090 -3.008 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.730 -1.182 -7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.371 -2.847 -7.868 1.00 0.00 H new ATOM 877 N TRP A 58 6.248 -2.966 -6.198 1.00 0.00 N ATOM 878 CA TRP A 58 7.537 -3.618 -5.831 1.00 0.00 C ATOM 879 C TRP A 58 8.634 -3.177 -6.803 1.00 0.00 C ATOM 880 O TRP A 58 9.447 -2.337 -6.488 1.00 0.00 O ATOM 881 CB TRP A 58 7.376 -5.139 -5.897 1.00 0.00 C ATOM 882 CG TRP A 58 8.545 -5.798 -5.235 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.475 -6.550 -5.867 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.919 -5.782 -3.828 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.395 -6.998 -4.936 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.095 -6.551 -3.664 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.356 -5.181 -2.689 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.690 -6.718 -2.413 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.952 -5.348 -1.428 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.116 -6.115 -1.291 1.00 0.00 C ATOM 0 H TRP A 58 6.243 -2.493 -7.102 1.00 0.00 H new ATOM 0 HA TRP A 58 7.814 -3.325 -4.819 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.451 -5.438 -5.405 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.304 -5.462 -6.935 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.496 -6.765 -6.925 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.197 -7.587 -5.161 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.459 -4.587 -2.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.588 -7.309 -2.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.510 -4.882 -0.559 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.569 -6.240 -0.319 1.00 0.00 H new ATOM 901 N ASN A 59 8.665 -3.736 -7.984 1.00 0.00 N ATOM 902 CA ASN A 59 9.716 -3.335 -8.963 1.00 0.00 C ATOM 903 C ASN A 59 9.374 -1.955 -9.528 1.00 0.00 C ATOM 904 O ASN A 59 8.479 -1.813 -10.338 1.00 0.00 O ATOM 905 CB ASN A 59 9.773 -4.356 -10.102 1.00 0.00 C ATOM 906 CG ASN A 59 10.919 -5.337 -9.852 1.00 0.00 C ATOM 907 OD1 ASN A 59 11.568 -5.783 -10.779 1.00 0.00 O ATOM 908 ND2 ASN A 59 11.198 -5.696 -8.629 1.00 0.00 N ATOM 0 H ASN A 59 8.012 -4.448 -8.311 1.00 0.00 H new ATOM 0 HA ASN A 59 10.685 -3.298 -8.466 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.828 -4.894 -10.169 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.918 -3.846 -11.054 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.960 -6.350 -8.451 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.654 -5.322 -7.851 1.00 0.00 H new ATOM 915 N MET A 60 10.074 -0.940 -9.092 1.00 0.00 N ATOM 916 CA MET A 60 9.798 0.446 -9.579 1.00 0.00 C ATOM 917 C MET A 60 11.132 1.096 -10.006 1.00 0.00 C ATOM 918 O MET A 60 12.173 0.494 -9.832 1.00 0.00 O ATOM 919 CB MET A 60 9.136 1.238 -8.444 1.00 0.00 C ATOM 920 CG MET A 60 8.744 0.305 -7.295 1.00 0.00 C ATOM 921 SD MET A 60 7.673 1.201 -6.146 1.00 0.00 S ATOM 922 CE MET A 60 8.378 0.539 -4.619 1.00 0.00 C ATOM 0 H MET A 60 10.832 -1.012 -8.413 1.00 0.00 H new ATOM 0 HA MET A 60 9.127 0.435 -10.438 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.821 2.004 -8.080 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.252 1.753 -8.820 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.228 -0.573 -7.683 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.635 -0.051 -6.779 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.688 0.715 -3.794 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.545 -0.532 -4.730 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.326 1.035 -4.411 1.00 0.00 H new ATOM 932 N PRO A 61 11.084 2.289 -10.581 1.00 0.00 N ATOM 933 CA PRO A 61 12.311 2.969 -11.053 1.00 0.00 C ATOM 934 C PRO A 61 13.308 3.232 -9.914 1.00 0.00 C ATOM 935 O PRO A 61 14.384 3.745 -10.150 1.00 0.00 O ATOM 936 CB PRO A 61 11.824 4.290 -11.666 1.00 0.00 C ATOM 937 CG PRO A 61 10.283 4.326 -11.549 1.00 0.00 C ATOM 938 CD PRO A 61 9.838 3.058 -10.808 1.00 0.00 C ATOM 0 HA PRO A 61 12.850 2.349 -11.769 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.267 5.139 -11.145 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.130 4.362 -12.710 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.962 5.217 -11.009 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.826 4.371 -12.538 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.348 3.303 -9.866 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.123 2.486 -11.399 1.00 0.00 H new ATOM 946 N ASN A 62 12.973 2.883 -8.696 1.00 0.00 N ATOM 947 CA ASN A 62 13.922 3.113 -7.558 1.00 0.00 C ATOM 948 C ASN A 62 14.127 1.806 -6.793 1.00 0.00 C ATOM 949 O ASN A 62 13.492 1.559 -5.789 1.00 0.00 O ATOM 950 CB ASN A 62 13.354 4.168 -6.605 1.00 0.00 C ATOM 951 CG ASN A 62 13.095 5.467 -7.369 1.00 0.00 C ATOM 952 OD1 ASN A 62 12.332 6.303 -6.926 1.00 0.00 O ATOM 953 ND2 ASN A 62 13.703 5.676 -8.504 1.00 0.00 N ATOM 0 H ASN A 62 12.086 2.450 -8.439 1.00 0.00 H new ATOM 0 HA ASN A 62 14.874 3.463 -7.957 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.428 3.807 -6.158 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.053 4.348 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.538 6.541 -9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.343 4.975 -8.876 1.00 0.00 H new ATOM 960 N MET A 63 15.015 0.971 -7.260 1.00 0.00 N ATOM 961 CA MET A 63 15.269 -0.320 -6.559 1.00 0.00 C ATOM 962 C MET A 63 13.935 -1.014 -6.260 1.00 0.00 C ATOM 963 O MET A 63 13.437 -1.784 -7.057 1.00 0.00 O ATOM 964 CB MET A 63 16.025 -0.049 -5.255 1.00 0.00 C ATOM 965 CG MET A 63 17.290 0.760 -5.556 1.00 0.00 C ATOM 966 SD MET A 63 18.383 -0.200 -6.634 1.00 0.00 S ATOM 967 CE MET A 63 18.664 1.086 -7.876 1.00 0.00 C ATOM 0 H MET A 63 15.576 1.127 -8.097 1.00 0.00 H new ATOM 0 HA MET A 63 15.871 -0.970 -7.194 1.00 0.00 H new ATOM 0 HB2 MET A 63 15.388 0.498 -4.560 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.289 -0.990 -4.773 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.026 1.702 -6.036 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.805 1.008 -4.628 1.00 0.00 H new ATOM 0 HE1 MET A 63 19.326 0.703 -8.653 1.00 0.00 H new ATOM 0 HE2 MET A 63 17.712 1.377 -8.321 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.124 1.954 -7.403 1.00 0.00 H new ATOM 977 N ASP A 64 13.350 -0.754 -5.121 1.00 0.00 N ATOM 978 CA ASP A 64 12.052 -1.406 -4.790 1.00 0.00 C ATOM 979 C ASP A 64 11.402 -0.676 -3.612 1.00 0.00 C ATOM 980 O ASP A 64 11.945 0.275 -3.085 1.00 0.00 O ATOM 981 CB ASP A 64 12.298 -2.872 -4.422 1.00 0.00 C ATOM 982 CG ASP A 64 11.901 -3.769 -5.594 1.00 0.00 C ATOM 983 OD1 ASP A 64 12.752 -4.032 -6.428 1.00 0.00 O ATOM 984 OD2 ASP A 64 10.754 -4.182 -5.638 1.00 0.00 O ATOM 0 H ASP A 64 13.714 -0.121 -4.409 1.00 0.00 H new ATOM 0 HA ASP A 64 11.387 -1.359 -5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.349 -3.024 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.720 -3.137 -3.536 1.00 0.00 H new ATOM 989 N GLY A 65 10.241 -1.105 -3.197 1.00 0.00 N ATOM 990 CA GLY A 65 9.559 -0.425 -2.058 1.00 0.00 C ATOM 991 C GLY A 65 10.300 -0.724 -0.754 1.00 0.00 C ATOM 992 O GLY A 65 9.791 -0.493 0.325 1.00 0.00 O ATOM 0 H GLY A 65 9.736 -1.896 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.529 0.651 -2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.526 -0.765 -1.986 1.00 0.00 H new ATOM 996 N LEU A 66 11.500 -1.227 -0.841 1.00 0.00 N ATOM 997 CA LEU A 66 12.265 -1.527 0.401 1.00 0.00 C ATOM 998 C LEU A 66 12.627 -0.211 1.088 1.00 0.00 C ATOM 999 O LEU A 66 12.371 -0.018 2.259 1.00 0.00 O ATOM 1000 CB LEU A 66 13.550 -2.286 0.043 1.00 0.00 C ATOM 1001 CG LEU A 66 13.574 -3.653 0.739 1.00 0.00 C ATOM 1002 CD1 LEU A 66 13.495 -3.471 2.256 1.00 0.00 C ATOM 1003 CD2 LEU A 66 12.387 -4.494 0.263 1.00 0.00 C ATOM 0 H LEU A 66 11.982 -1.442 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 66 11.660 -2.141 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.612 -2.419 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.420 -1.702 0.343 1.00 0.00 H new ATOM 0 HG LEU A 66 14.505 -4.162 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.513 -4.447 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.346 -2.881 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.570 -2.955 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.407 -5.464 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.457 -3.981 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.451 -4.636 -0.816 1.00 0.00 H new ATOM 1015 N GLU A 67 13.218 0.697 0.363 1.00 0.00 N ATOM 1016 CA GLU A 67 13.595 2.005 0.965 1.00 0.00 C ATOM 1017 C GLU A 67 12.327 2.742 1.402 1.00 0.00 C ATOM 1018 O GLU A 67 12.379 3.680 2.171 1.00 0.00 O ATOM 1019 CB GLU A 67 14.345 2.844 -0.071 1.00 0.00 C ATOM 1020 CG GLU A 67 15.767 3.118 0.422 1.00 0.00 C ATOM 1021 CD GLU A 67 16.569 3.805 -0.685 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.977 3.118 -1.606 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.759 5.007 -0.592 1.00 0.00 O ATOM 0 H GLU A 67 13.457 0.589 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 67 14.238 1.841 1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.375 2.319 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.821 3.784 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.740 3.749 1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.250 2.184 0.709 1.00 0.00 H new ATOM 1030 N LEU A 68 11.189 2.315 0.925 1.00 0.00 N ATOM 1031 CA LEU A 68 9.915 2.981 1.316 1.00 0.00 C ATOM 1032 C LEU A 68 9.501 2.465 2.694 1.00 0.00 C ATOM 1033 O LEU A 68 9.526 3.183 3.673 1.00 0.00 O ATOM 1034 CB LEU A 68 8.834 2.639 0.287 1.00 0.00 C ATOM 1035 CG LEU A 68 8.767 3.738 -0.774 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.031 3.224 -2.020 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.018 4.954 -0.215 1.00 0.00 C ATOM 0 H LEU A 68 11.087 1.532 0.280 1.00 0.00 H new ATOM 0 HA LEU A 68 10.046 4.063 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.055 1.680 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.868 2.537 0.781 1.00 0.00 H new ATOM 0 HG LEU A 68 9.783 4.025 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.989 4.014 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.563 2.365 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.018 2.928 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.973 5.734 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.006 4.661 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.542 5.332 0.663 1.00 0.00 H new ATOM 1049 N LEU A 69 9.147 1.215 2.777 1.00 0.00 N ATOM 1050 CA LEU A 69 8.757 0.625 4.091 1.00 0.00 C ATOM 1051 C LEU A 69 9.796 1.031 5.135 1.00 0.00 C ATOM 1052 O LEU A 69 9.501 1.702 6.100 1.00 0.00 O ATOM 1053 CB LEU A 69 8.773 -0.893 3.952 1.00 0.00 C ATOM 1054 CG LEU A 69 7.469 -1.522 4.447 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.511 -3.034 4.179 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.288 -1.299 5.955 1.00 0.00 C ATOM 0 H LEU A 69 9.110 0.570 1.987 1.00 0.00 H new ATOM 0 HA LEU A 69 7.768 0.973 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.932 -1.161 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.611 -1.301 4.517 1.00 0.00 H new ATOM 0 HG LEU A 69 6.638 -1.055 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.585 -3.491 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.622 -3.211 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.356 -3.474 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.354 -1.756 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.121 -1.753 6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.261 -0.230 6.164 1.00 0.00 H new ATOM 1068 N LYS A 70 11.017 0.617 4.938 1.00 0.00 N ATOM 1069 CA LYS A 70 12.097 0.964 5.904 1.00 0.00 C ATOM 1070 C LYS A 70 11.998 2.445 6.286 1.00 0.00 C ATOM 1071 O LYS A 70 11.862 2.787 7.442 1.00 0.00 O ATOM 1072 CB LYS A 70 13.459 0.693 5.261 1.00 0.00 C ATOM 1073 CG LYS A 70 14.573 0.959 6.277 1.00 0.00 C ATOM 1074 CD LYS A 70 15.409 2.157 5.821 1.00 0.00 C ATOM 1075 CE LYS A 70 16.200 1.779 4.566 1.00 0.00 C ATOM 1076 NZ LYS A 70 15.980 2.809 3.512 1.00 0.00 N ATOM 0 H LYS A 70 11.315 0.050 4.144 1.00 0.00 H new ATOM 0 HA LYS A 70 11.987 0.355 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.509 -0.339 4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.592 1.330 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.144 1.155 7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.206 0.078 6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.761 3.008 5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.090 2.462 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.262 1.705 4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.884 0.800 4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.544 2.571 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.972 2.835 3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.271 3.741 3.871 1.00 0.00 H new ATOM 1090 N THR A 71 12.069 3.331 5.328 1.00 0.00 N ATOM 1091 CA THR A 71 11.980 4.781 5.659 1.00 0.00 C ATOM 1092 C THR A 71 10.722 5.038 6.492 1.00 0.00 C ATOM 1093 O THR A 71 10.741 5.796 7.441 1.00 0.00 O ATOM 1094 CB THR A 71 11.915 5.607 4.372 1.00 0.00 C ATOM 1095 OG1 THR A 71 10.969 5.029 3.486 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.294 5.632 3.711 1.00 0.00 C ATOM 0 H THR A 71 12.184 3.115 4.338 1.00 0.00 H new ATOM 0 HA THR A 71 12.863 5.072 6.228 1.00 0.00 H new ATOM 0 HB THR A 71 11.611 6.627 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.369 4.252 3.042 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.248 6.220 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.016 6.080 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.602 4.614 3.473 1.00 0.00 H new ATOM 1104 N ILE A 72 9.629 4.415 6.148 1.00 0.00 N ATOM 1105 CA ILE A 72 8.377 4.631 6.927 1.00 0.00 C ATOM 1106 C ILE A 72 8.571 4.114 8.355 1.00 0.00 C ATOM 1107 O ILE A 72 8.161 4.743 9.310 1.00 0.00 O ATOM 1108 CB ILE A 72 7.220 3.878 6.267 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.972 4.442 4.861 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.954 4.046 7.112 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.289 3.382 3.988 1.00 0.00 C ATOM 0 H ILE A 72 9.548 3.768 5.364 1.00 0.00 H new ATOM 0 HA ILE A 72 8.147 5.696 6.950 1.00 0.00 H new ATOM 0 HB ILE A 72 7.473 2.820 6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.348 5.333 4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.917 4.745 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.129 3.510 6.642 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.127 3.644 8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.704 5.104 7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.116 3.788 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.929 2.503 3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.336 3.101 4.436 1.00 0.00 H new ATOM 1123 N ARG A 73 9.190 2.973 8.510 1.00 0.00 N ATOM 1124 CA ARG A 73 9.399 2.421 9.880 1.00 0.00 C ATOM 1125 C ARG A 73 10.664 3.027 10.493 1.00 0.00 C ATOM 1126 O ARG A 73 10.983 2.786 11.640 1.00 0.00 O ATOM 1127 CB ARG A 73 9.525 0.891 9.805 1.00 0.00 C ATOM 1128 CG ARG A 73 10.999 0.470 9.734 1.00 0.00 C ATOM 1129 CD ARG A 73 11.090 -0.996 9.308 1.00 0.00 C ATOM 1130 NE ARG A 73 12.470 -1.500 9.553 1.00 0.00 N ATOM 1131 CZ ARG A 73 13.051 -2.266 8.672 1.00 0.00 C ATOM 1132 NH1 ARG A 73 13.428 -1.771 7.525 1.00 0.00 N ATOM 1133 NH2 ARG A 73 13.254 -3.528 8.936 1.00 0.00 N ATOM 0 H ARG A 73 9.559 2.402 7.750 1.00 0.00 H new ATOM 0 HA ARG A 73 8.546 2.676 10.509 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.054 0.439 10.678 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.993 0.520 8.929 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.535 1.100 9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.475 0.608 10.705 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.369 -1.593 9.866 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.837 -1.095 8.252 1.00 0.00 H new ATOM 0 HE ARG A 73 12.961 -1.246 10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.268 -0.785 7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.882 -2.370 6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.958 -3.916 9.832 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.708 -4.127 8.246 1.00 0.00 H new ATOM 1147 N ALA A 74 11.389 3.810 9.742 1.00 0.00 N ATOM 1148 CA ALA A 74 12.632 4.425 10.289 1.00 0.00 C ATOM 1149 C ALA A 74 12.285 5.735 10.998 1.00 0.00 C ATOM 1150 O ALA A 74 12.951 6.145 11.927 1.00 0.00 O ATOM 1151 CB ALA A 74 13.610 4.707 9.147 1.00 0.00 C ATOM 0 H ALA A 74 11.175 4.050 8.774 1.00 0.00 H new ATOM 0 HA ALA A 74 13.092 3.738 10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.518 5.157 9.548 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.860 3.773 8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.150 5.392 8.435 1.00 0.00 H new ATOM 1157 N ASP A 75 11.245 6.396 10.566 1.00 0.00 N ATOM 1158 CA ASP A 75 10.857 7.679 11.215 1.00 0.00 C ATOM 1159 C ASP A 75 10.756 7.475 12.728 1.00 0.00 C ATOM 1160 O ASP A 75 11.724 7.609 13.448 1.00 0.00 O ATOM 1161 CB ASP A 75 9.501 8.134 10.670 1.00 0.00 C ATOM 1162 CG ASP A 75 9.715 9.033 9.450 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.666 8.796 8.725 1.00 0.00 O ATOM 1164 OD2 ASP A 75 8.924 9.942 9.264 1.00 0.00 O ATOM 0 H ASP A 75 10.648 6.103 9.792 1.00 0.00 H new ATOM 0 HA ASP A 75 11.609 8.438 11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.899 7.268 10.395 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.950 8.674 11.440 1.00 0.00 H new ATOM 1169 N GLY A 76 9.589 7.154 13.215 1.00 0.00 N ATOM 1170 CA GLY A 76 9.424 6.941 14.681 1.00 0.00 C ATOM 1171 C GLY A 76 7.938 7.001 15.039 1.00 0.00 C ATOM 1172 O GLY A 76 7.245 6.003 15.017 1.00 0.00 O ATOM 0 H GLY A 76 8.742 7.030 12.661 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.840 5.975 14.968 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.974 7.702 15.234 1.00 0.00 H new ATOM 1176 N ALA A 77 7.440 8.164 15.363 1.00 0.00 N ATOM 1177 CA ALA A 77 5.998 8.282 15.715 1.00 0.00 C ATOM 1178 C ALA A 77 5.152 7.824 14.526 1.00 0.00 C ATOM 1179 O ALA A 77 4.078 7.276 14.688 1.00 0.00 O ATOM 1180 CB ALA A 77 5.669 9.740 16.046 1.00 0.00 C ATOM 0 H ALA A 77 7.969 9.035 15.399 1.00 0.00 H new ATOM 0 HA ALA A 77 5.780 7.658 16.582 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.613 9.825 16.303 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.276 10.067 16.890 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.883 10.367 15.180 1.00 0.00 H new ATOM 1186 N MET A 78 5.629 8.041 13.331 1.00 0.00 N ATOM 1187 CA MET A 78 4.859 7.615 12.130 1.00 0.00 C ATOM 1188 C MET A 78 5.304 6.211 11.718 1.00 0.00 C ATOM 1189 O MET A 78 4.957 5.724 10.660 1.00 0.00 O ATOM 1190 CB MET A 78 5.124 8.590 10.980 1.00 0.00 C ATOM 1191 CG MET A 78 4.847 10.020 11.446 1.00 0.00 C ATOM 1192 SD MET A 78 4.414 11.047 10.019 1.00 0.00 S ATOM 1193 CE MET A 78 5.965 10.840 9.109 1.00 0.00 C ATOM 0 H MET A 78 6.521 8.496 13.135 1.00 0.00 H new ATOM 0 HA MET A 78 3.794 7.610 12.362 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.157 8.500 10.644 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.489 8.345 10.128 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.034 10.026 12.172 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.725 10.427 11.947 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.998 11.547 8.280 1.00 0.00 H new ATOM 0 HE2 MET A 78 6.806 11.025 9.777 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.026 9.823 8.721 1.00 0.00 H new ATOM 1203 N SER A 79 6.074 5.560 12.545 1.00 0.00 N ATOM 1204 CA SER A 79 6.547 4.189 12.205 1.00 0.00 C ATOM 1205 C SER A 79 5.413 3.188 12.420 1.00 0.00 C ATOM 1206 O SER A 79 5.609 2.130 12.986 1.00 0.00 O ATOM 1207 CB SER A 79 7.727 3.821 13.106 1.00 0.00 C ATOM 1208 OG SER A 79 7.270 3.700 14.447 1.00 0.00 O ATOM 0 H SER A 79 6.397 5.919 13.443 1.00 0.00 H new ATOM 0 HA SER A 79 6.861 4.162 11.162 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.174 2.884 12.775 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.502 4.584 13.041 1.00 0.00 H new ATOM 0 HG SER A 79 6.842 4.537 14.723 1.00 0.00 H new ATOM 1214 N ALA A 80 4.227 3.508 11.979 1.00 0.00 N ATOM 1215 CA ALA A 80 3.093 2.563 12.170 1.00 0.00 C ATOM 1216 C ALA A 80 2.076 2.714 11.035 1.00 0.00 C ATOM 1217 O ALA A 80 1.003 2.146 11.084 1.00 0.00 O ATOM 1218 CB ALA A 80 2.407 2.857 13.506 1.00 0.00 C ATOM 0 H ALA A 80 3.996 4.377 11.498 1.00 0.00 H new ATOM 0 HA ALA A 80 3.479 1.544 12.166 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.576 2.166 13.648 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.124 2.734 14.318 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.032 3.880 13.505 1.00 0.00 H new ATOM 1224 N LEU A 81 2.387 3.468 10.012 1.00 0.00 N ATOM 1225 CA LEU A 81 1.402 3.618 8.905 1.00 0.00 C ATOM 1226 C LEU A 81 1.349 2.288 8.109 1.00 0.00 C ATOM 1227 O LEU A 81 2.371 1.856 7.614 1.00 0.00 O ATOM 1228 CB LEU A 81 1.831 4.759 7.973 1.00 0.00 C ATOM 1229 CG LEU A 81 1.270 6.102 8.475 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.772 7.230 7.573 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -0.263 6.097 8.437 1.00 0.00 C ATOM 0 H LEU A 81 3.264 3.977 9.897 1.00 0.00 H new ATOM 0 HA LEU A 81 0.419 3.851 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.919 4.808 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.475 4.564 6.961 1.00 0.00 H new ATOM 0 HG LEU A 81 1.605 6.252 9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.376 8.182 7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.861 7.258 7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.437 7.055 6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.639 7.055 8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.601 5.935 7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.640 5.298 9.075 1.00 0.00 H new ATOM 1243 N PRO A 82 0.188 1.649 8.014 1.00 0.00 N ATOM 1244 CA PRO A 82 0.073 0.360 7.294 1.00 0.00 C ATOM 1245 C PRO A 82 0.443 0.456 5.808 1.00 0.00 C ATOM 1246 O PRO A 82 -0.281 1.032 5.020 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.410 -0.029 7.405 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.133 1.073 8.209 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.089 2.124 8.603 1.00 0.00 C ATOM 0 HA PRO A 82 0.761 -0.364 7.731 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.853 -0.130 6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.515 -0.994 7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.924 1.525 7.611 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.605 0.652 9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.357 3.108 8.219 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.012 2.215 9.686 1.00 0.00 H new ATOM 1257 N VAL A 83 1.516 -0.190 5.409 1.00 0.00 N ATOM 1258 CA VAL A 83 1.875 -0.228 3.959 1.00 0.00 C ATOM 1259 C VAL A 83 1.479 -1.601 3.451 1.00 0.00 C ATOM 1260 O VAL A 83 2.145 -2.572 3.727 1.00 0.00 O ATOM 1261 CB VAL A 83 3.396 -0.027 3.738 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.973 -1.007 2.685 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.639 1.367 3.205 1.00 0.00 C ATOM 0 H VAL A 83 2.155 -0.691 6.026 1.00 0.00 H new ATOM 0 HA VAL A 83 1.361 0.575 3.431 1.00 0.00 H new ATOM 0 HB VAL A 83 3.880 -0.200 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.041 -0.826 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.813 -2.033 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.471 -0.852 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.707 1.515 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.112 1.492 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.273 2.100 3.924 1.00 0.00 H new ATOM 1273 N LEU A 84 0.426 -1.728 2.705 1.00 0.00 N ATOM 1274 CA LEU A 84 0.115 -3.092 2.217 1.00 0.00 C ATOM 1275 C LEU A 84 0.825 -3.247 0.887 1.00 0.00 C ATOM 1276 O LEU A 84 0.452 -2.662 -0.111 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.400 -3.323 2.090 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.730 -4.766 1.615 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.696 -5.808 2.087 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.086 -5.175 2.187 1.00 0.00 C ATOM 0 H LEU A 84 -0.209 -0.983 2.421 1.00 0.00 H new ATOM 0 HA LEU A 84 0.460 -3.844 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.877 -3.140 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.819 -2.604 1.385 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.725 -4.749 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.982 -6.795 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.287 -5.548 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.661 -5.819 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.329 -6.186 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.046 -5.145 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.853 -4.486 1.833 1.00 0.00 H new ATOM 1292 N MET A 85 1.886 -3.999 0.883 1.00 0.00 N ATOM 1293 CA MET A 85 2.669 -4.153 -0.361 1.00 0.00 C ATOM 1294 C MET A 85 1.990 -5.173 -1.283 1.00 0.00 C ATOM 1295 O MET A 85 1.737 -6.296 -0.901 1.00 0.00 O ATOM 1296 CB MET A 85 4.099 -4.585 0.015 1.00 0.00 C ATOM 1297 CG MET A 85 4.190 -6.105 0.210 1.00 0.00 C ATOM 1298 SD MET A 85 4.284 -6.953 -1.391 1.00 0.00 S ATOM 1299 CE MET A 85 6.070 -6.818 -1.614 1.00 0.00 C ATOM 0 H MET A 85 2.242 -4.512 1.689 1.00 0.00 H new ATOM 0 HA MET A 85 2.719 -3.209 -0.904 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.792 -4.274 -0.767 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.405 -4.080 0.931 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.068 -6.348 0.808 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.320 -6.458 0.764 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.310 -6.877 -2.676 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.415 -5.864 -1.216 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.565 -7.632 -1.085 1.00 0.00 H new ATOM 1309 N VAL A 86 1.683 -4.783 -2.496 1.00 0.00 N ATOM 1310 CA VAL A 86 1.022 -5.713 -3.446 1.00 0.00 C ATOM 1311 C VAL A 86 2.000 -6.062 -4.566 1.00 0.00 C ATOM 1312 O VAL A 86 2.757 -5.228 -5.020 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.230 -5.037 -4.008 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.788 -4.063 -2.968 1.00 0.00 C ATOM 1315 CG2 VAL A 86 0.091 -4.273 -5.290 1.00 0.00 C ATOM 0 H VAL A 86 1.866 -3.850 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 86 0.729 -6.633 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.966 -5.807 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.680 -3.579 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.044 -4.608 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.037 -3.307 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.816 -3.802 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.838 -3.507 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.481 -4.964 -6.037 1.00 0.00 H new ATOM 1325 N THR A 87 2.013 -7.293 -5.004 1.00 0.00 N ATOM 1326 CA THR A 87 2.977 -7.671 -6.084 1.00 0.00 C ATOM 1327 C THR A 87 2.414 -8.799 -6.949 1.00 0.00 C ATOM 1328 O THR A 87 1.367 -9.345 -6.673 1.00 0.00 O ATOM 1329 CB THR A 87 4.291 -8.128 -5.448 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.182 -8.563 -6.464 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.015 -9.281 -4.481 1.00 0.00 C ATOM 0 H THR A 87 1.409 -8.044 -4.669 1.00 0.00 H new ATOM 0 HA THR A 87 3.147 -6.801 -6.718 1.00 0.00 H new ATOM 0 HB THR A 87 4.740 -7.298 -4.903 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.025 -8.854 -6.057 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.951 -9.607 -4.027 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.331 -8.946 -3.701 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.566 -10.112 -5.025 1.00 0.00 H new ATOM 1339 N ALA A 88 3.122 -9.152 -7.994 1.00 0.00 N ATOM 1340 CA ALA A 88 2.660 -10.252 -8.892 1.00 0.00 C ATOM 1341 C ALA A 88 3.532 -11.487 -8.656 1.00 0.00 C ATOM 1342 O ALA A 88 3.065 -12.509 -8.194 1.00 0.00 O ATOM 1343 CB ALA A 88 2.795 -9.812 -10.351 1.00 0.00 C ATOM 0 H ALA A 88 4.006 -8.721 -8.264 1.00 0.00 H new ATOM 0 HA ALA A 88 1.617 -10.486 -8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.458 -10.615 -11.006 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.185 -8.925 -10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.838 -9.582 -10.567 1.00 0.00 H new ATOM 1349 N GLU A 89 4.798 -11.396 -8.964 1.00 0.00 N ATOM 1350 CA GLU A 89 5.705 -12.560 -8.751 1.00 0.00 C ATOM 1351 C GLU A 89 6.016 -12.678 -7.259 1.00 0.00 C ATOM 1352 O GLU A 89 7.145 -12.526 -6.834 1.00 0.00 O ATOM 1353 CB GLU A 89 7.004 -12.345 -9.530 1.00 0.00 C ATOM 1354 CG GLU A 89 6.677 -12.030 -10.991 1.00 0.00 C ATOM 1355 CD GLU A 89 6.548 -10.516 -11.169 1.00 0.00 C ATOM 1356 OE1 GLU A 89 7.429 -9.808 -10.711 1.00 0.00 O ATOM 1357 OE2 GLU A 89 5.570 -10.091 -11.760 1.00 0.00 O ATOM 0 H GLU A 89 5.243 -10.565 -9.354 1.00 0.00 H new ATOM 0 HA GLU A 89 5.224 -13.473 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.574 -11.527 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.628 -13.237 -9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.460 -12.418 -11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.748 -12.522 -11.281 1.00 0.00 H new ATOM 1364 N ALA A 90 5.019 -12.939 -6.462 1.00 0.00 N ATOM 1365 CA ALA A 90 5.243 -13.060 -4.996 1.00 0.00 C ATOM 1366 C ALA A 90 6.087 -14.299 -4.699 1.00 0.00 C ATOM 1367 O ALA A 90 5.572 -15.385 -4.518 1.00 0.00 O ATOM 1368 CB ALA A 90 3.890 -13.181 -4.294 1.00 0.00 C ATOM 0 H ALA A 90 4.054 -13.074 -6.765 1.00 0.00 H new ATOM 0 HA ALA A 90 5.770 -12.177 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.045 -13.270 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.291 -12.294 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.368 -14.065 -4.660 1.00 0.00 H new ATOM 1374 N LYS A 91 7.381 -14.143 -4.638 1.00 0.00 N ATOM 1375 CA LYS A 91 8.259 -15.309 -4.343 1.00 0.00 C ATOM 1376 C LYS A 91 8.524 -15.365 -2.837 1.00 0.00 C ATOM 1377 O LYS A 91 8.648 -14.349 -2.182 1.00 0.00 O ATOM 1378 CB LYS A 91 9.586 -15.150 -5.088 1.00 0.00 C ATOM 1379 CG LYS A 91 9.848 -16.395 -5.941 1.00 0.00 C ATOM 1380 CD LYS A 91 11.248 -16.307 -6.551 1.00 0.00 C ATOM 1381 CE LYS A 91 11.506 -17.539 -7.422 1.00 0.00 C ATOM 1382 NZ LYS A 91 12.516 -18.411 -6.759 1.00 0.00 N ATOM 0 H LYS A 91 7.868 -13.258 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 91 7.771 -16.229 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.556 -14.263 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.399 -15.006 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.761 -17.293 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.100 -16.473 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.339 -15.400 -7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.997 -16.244 -5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.578 -18.090 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.862 -17.234 -8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.693 -19.249 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.403 -17.882 -6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.159 -18.712 -5.830 1.00 0.00 H new ATOM 1396 N LYS A 92 8.610 -16.542 -2.281 1.00 0.00 N ATOM 1397 CA LYS A 92 8.865 -16.656 -0.818 1.00 0.00 C ATOM 1398 C LYS A 92 10.021 -15.732 -0.427 1.00 0.00 C ATOM 1399 O LYS A 92 10.146 -15.324 0.710 1.00 0.00 O ATOM 1400 CB LYS A 92 9.228 -18.101 -0.473 1.00 0.00 C ATOM 1401 CG LYS A 92 8.872 -18.384 0.988 1.00 0.00 C ATOM 1402 CD LYS A 92 7.434 -18.900 1.072 1.00 0.00 C ATOM 1403 CE LYS A 92 6.851 -18.565 2.447 1.00 0.00 C ATOM 1404 NZ LYS A 92 7.928 -18.641 3.474 1.00 0.00 N ATOM 0 H LYS A 92 8.515 -17.429 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 92 7.968 -16.367 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.692 -18.788 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.292 -18.269 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.559 -19.121 1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.979 -17.476 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.827 -18.447 0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.413 -19.978 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.414 -17.566 2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.049 -19.261 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.507 -18.837 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.591 -19.403 3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.439 -17.736 3.509 1.00 0.00 H new ATOM 1418 N GLU A 93 10.873 -15.406 -1.361 1.00 0.00 N ATOM 1419 CA GLU A 93 12.022 -14.522 -1.048 1.00 0.00 C ATOM 1420 C GLU A 93 11.559 -13.063 -0.976 1.00 0.00 C ATOM 1421 O GLU A 93 11.793 -12.377 -0.001 1.00 0.00 O ATOM 1422 CB GLU A 93 13.086 -14.666 -2.138 1.00 0.00 C ATOM 1423 CG GLU A 93 13.332 -16.150 -2.414 1.00 0.00 C ATOM 1424 CD GLU A 93 14.757 -16.345 -2.933 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.680 -16.021 -2.204 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.902 -16.814 -4.049 1.00 0.00 O ATOM 0 H GLU A 93 10.819 -15.718 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 93 12.441 -14.810 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.759 -14.164 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.012 -14.185 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.183 -16.729 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.614 -16.518 -3.146 1.00 0.00 H new ATOM 1433 N ASN A 94 10.915 -12.578 -2.004 1.00 0.00 N ATOM 1434 CA ASN A 94 10.452 -11.161 -1.990 1.00 0.00 C ATOM 1435 C ASN A 94 9.332 -10.989 -0.963 1.00 0.00 C ATOM 1436 O ASN A 94 9.324 -10.051 -0.192 1.00 0.00 O ATOM 1437 CB ASN A 94 9.940 -10.773 -3.379 1.00 0.00 C ATOM 1438 CG ASN A 94 8.848 -9.711 -3.244 1.00 0.00 C ATOM 1439 OD1 ASN A 94 8.936 -8.834 -2.406 1.00 0.00 O ATOM 1440 ND2 ASN A 94 7.814 -9.751 -4.038 1.00 0.00 N ATOM 0 H ASN A 94 10.690 -13.101 -2.851 1.00 0.00 H new ATOM 0 HA ASN A 94 11.287 -10.515 -1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.760 -10.391 -3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.546 -11.651 -3.891 1.00 0.00 H new ATOM 0 HD21 ASN A 94 7.080 -9.047 -3.956 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.739 -10.486 -4.741 1.00 0.00 H new ATOM 1447 N ILE A 95 8.387 -11.884 -0.944 1.00 0.00 N ATOM 1448 CA ILE A 95 7.275 -11.762 0.041 1.00 0.00 C ATOM 1449 C ILE A 95 7.862 -11.507 1.427 1.00 0.00 C ATOM 1450 O ILE A 95 7.264 -10.852 2.257 1.00 0.00 O ATOM 1451 CB ILE A 95 6.457 -13.054 0.062 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.588 -13.121 -1.196 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.562 -13.069 1.304 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.967 -14.514 -1.321 1.00 0.00 C ATOM 0 H ILE A 95 8.335 -12.692 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 95 6.626 -10.934 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 95 7.127 -13.913 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.804 -12.366 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.190 -12.900 -2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.978 -13.989 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.181 -13.016 2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.888 -12.212 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.349 -14.558 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.758 -15.260 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.351 -14.717 -0.445 1.00 0.00 H new ATOM 1466 N ILE A 96 9.036 -12.016 1.681 1.00 0.00 N ATOM 1467 CA ILE A 96 9.669 -11.799 3.009 1.00 0.00 C ATOM 1468 C ILE A 96 10.508 -10.521 2.960 1.00 0.00 C ATOM 1469 O ILE A 96 10.820 -9.935 3.975 1.00 0.00 O ATOM 1470 CB ILE A 96 10.571 -12.988 3.347 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.707 -14.186 3.750 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.492 -12.614 4.508 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.573 -15.446 3.798 1.00 0.00 C ATOM 0 H ILE A 96 9.583 -12.573 1.025 1.00 0.00 H new ATOM 0 HA ILE A 96 8.897 -11.704 3.772 1.00 0.00 H new ATOM 0 HB ILE A 96 11.171 -13.248 2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.251 -14.008 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.894 -14.318 3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.135 -13.460 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.107 -11.760 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.891 -12.354 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.958 -16.299 4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.008 -15.626 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.371 -15.312 4.528 1.00 0.00 H new ATOM 1485 N ALA A 97 10.876 -10.088 1.783 1.00 0.00 N ATOM 1486 CA ALA A 97 11.697 -8.849 1.663 1.00 0.00 C ATOM 1487 C ALA A 97 10.916 -7.660 2.220 1.00 0.00 C ATOM 1488 O ALA A 97 11.434 -6.864 2.977 1.00 0.00 O ATOM 1489 CB ALA A 97 12.035 -8.604 0.193 1.00 0.00 C ATOM 0 H ALA A 97 10.643 -10.540 0.899 1.00 0.00 H new ATOM 0 HA ALA A 97 12.620 -8.967 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.635 -7.699 0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.598 -9.452 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.114 -8.486 -0.377 1.00 0.00 H new ATOM 1495 N ALA A 98 9.669 -7.535 1.866 1.00 0.00 N ATOM 1496 CA ALA A 98 8.866 -6.401 2.402 1.00 0.00 C ATOM 1497 C ALA A 98 8.545 -6.693 3.854 1.00 0.00 C ATOM 1498 O ALA A 98 8.799 -5.900 4.737 1.00 0.00 O ATOM 1499 CB ALA A 98 7.543 -6.283 1.659 1.00 0.00 C ATOM 0 H ALA A 98 9.173 -8.163 1.234 1.00 0.00 H new ATOM 0 HA ALA A 98 9.436 -5.479 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.971 -5.449 2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.735 -6.110 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.975 -7.205 1.779 1.00 0.00 H new ATOM 1505 N ALA A 99 7.965 -7.830 4.101 1.00 0.00 N ATOM 1506 CA ALA A 99 7.605 -8.185 5.483 1.00 0.00 C ATOM 1507 C ALA A 99 8.858 -8.113 6.357 1.00 0.00 C ATOM 1508 O ALA A 99 8.780 -7.859 7.542 1.00 0.00 O ATOM 1509 CB ALA A 99 7.037 -9.600 5.522 1.00 0.00 C ATOM 0 H ALA A 99 7.726 -8.528 3.396 1.00 0.00 H new ATOM 0 HA ALA A 99 6.853 -7.489 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.772 -9.858 6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.148 -9.653 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.784 -10.302 5.153 1.00 0.00 H new ATOM 1515 N GLN A 100 10.024 -8.314 5.787 1.00 0.00 N ATOM 1516 CA GLN A 100 11.255 -8.211 6.617 1.00 0.00 C ATOM 1517 C GLN A 100 11.184 -6.849 7.284 1.00 0.00 C ATOM 1518 O GLN A 100 11.566 -6.664 8.423 1.00 0.00 O ATOM 1519 CB GLN A 100 12.508 -8.300 5.742 1.00 0.00 C ATOM 1520 CG GLN A 100 13.205 -9.640 5.980 1.00 0.00 C ATOM 1521 CD GLN A 100 13.884 -9.626 7.351 1.00 0.00 C ATOM 1522 OE1 GLN A 100 14.035 -8.585 7.956 1.00 0.00 O ATOM 1523 NE2 GLN A 100 14.303 -10.749 7.868 1.00 0.00 N ATOM 0 H GLN A 100 10.170 -8.540 4.803 1.00 0.00 H new ATOM 0 HA GLN A 100 11.313 -9.022 7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.238 -8.201 4.691 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.186 -7.479 5.976 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.480 -10.453 5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.943 -9.822 5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.176 -11.624 7.359 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.758 -10.752 8.781 1.00 0.00 H new ATOM 1532 N ALA A 101 10.629 -5.909 6.574 1.00 0.00 N ATOM 1533 CA ALA A 101 10.435 -4.551 7.137 1.00 0.00 C ATOM 1534 C ALA A 101 9.146 -4.618 7.948 1.00 0.00 C ATOM 1535 O ALA A 101 8.942 -3.899 8.906 1.00 0.00 O ATOM 1536 CB ALA A 101 10.302 -3.536 5.998 1.00 0.00 C ATOM 0 H ALA A 101 10.298 -6.028 5.616 1.00 0.00 H new ATOM 0 HA ALA A 101 11.276 -4.240 7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.159 -2.539 6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.207 -3.550 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.445 -3.796 5.377 1.00 0.00 H new ATOM 1542 N GLY A 102 8.298 -5.545 7.578 1.00 0.00 N ATOM 1543 CA GLY A 102 7.030 -5.775 8.307 1.00 0.00 C ATOM 1544 C GLY A 102 6.072 -4.610 8.163 1.00 0.00 C ATOM 1545 O GLY A 102 5.900 -3.841 9.088 1.00 0.00 O ATOM 0 H GLY A 102 8.443 -6.163 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.556 -6.682 7.932 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.244 -5.940 9.363 1.00 0.00 H new ATOM 1549 N ALA A 103 5.421 -4.456 7.040 1.00 0.00 N ATOM 1550 CA ALA A 103 4.484 -3.311 6.962 1.00 0.00 C ATOM 1551 C ALA A 103 3.091 -3.710 7.420 1.00 0.00 C ATOM 1552 O ALA A 103 2.857 -4.057 8.562 1.00 0.00 O ATOM 1553 CB ALA A 103 4.358 -2.941 5.499 1.00 0.00 C ATOM 0 H ALA A 103 5.494 -5.046 6.211 1.00 0.00 H new ATOM 0 HA ALA A 103 4.860 -2.502 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.674 -2.099 5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.337 -2.664 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.972 -3.793 4.940 1.00 0.00 H new ATOM 1559 N SER A 104 2.187 -3.723 6.493 1.00 0.00 N ATOM 1560 CA SER A 104 0.791 -4.170 6.794 1.00 0.00 C ATOM 1561 C SER A 104 0.679 -5.656 6.522 1.00 0.00 C ATOM 1562 O SER A 104 0.229 -6.441 7.332 1.00 0.00 O ATOM 1563 CB SER A 104 -0.234 -3.434 5.937 1.00 0.00 C ATOM 1564 OG SER A 104 0.231 -2.131 5.665 1.00 0.00 O ATOM 0 H SER A 104 2.348 -3.442 5.526 1.00 0.00 H new ATOM 0 HA SER A 104 0.583 -3.948 7.841 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.400 -3.974 5.005 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.192 -3.389 6.455 1.00 0.00 H new ATOM 0 HG SER A 104 -0.460 -1.631 5.182 1.00 0.00 H new ATOM 1570 N GLY A 105 1.060 -6.012 5.328 1.00 0.00 N ATOM 1571 CA GLY A 105 0.967 -7.425 4.877 1.00 0.00 C ATOM 1572 C GLY A 105 1.327 -7.513 3.393 1.00 0.00 C ATOM 1573 O GLY A 105 1.949 -6.618 2.838 1.00 0.00 O ATOM 0 H GLY A 105 1.439 -5.369 4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.641 -8.050 5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.042 -7.804 5.040 1.00 0.00 H new ATOM 1577 N TYR A 106 0.938 -8.584 2.745 1.00 0.00 N ATOM 1578 CA TYR A 106 1.249 -8.739 1.297 1.00 0.00 C ATOM 1579 C TYR A 106 0.052 -9.341 0.569 1.00 0.00 C ATOM 1580 O TYR A 106 -0.576 -10.270 1.037 1.00 0.00 O ATOM 1581 CB TYR A 106 2.466 -9.651 1.123 1.00 0.00 C ATOM 1582 CG TYR A 106 2.193 -10.676 0.042 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.274 -10.316 -1.312 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.873 -11.993 0.395 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.032 -11.274 -2.304 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.634 -12.948 -0.598 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.713 -12.590 -1.947 1.00 0.00 C ATOM 1588 OH TYR A 106 1.481 -13.534 -2.925 1.00 0.00 O ATOM 0 H TYR A 106 0.418 -9.357 3.161 1.00 0.00 H new ATOM 0 HA TYR A 106 1.469 -7.758 0.875 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.341 -9.057 0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.692 -10.153 2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.523 -9.302 -1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.811 -12.272 1.437 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.091 -10.998 -3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.388 -13.963 -0.323 1.00 0.00 H new ATOM 0 HH TYR A 106 1.274 -14.395 -2.506 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.260 -8.807 -0.577 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.408 -9.320 -1.371 1.00 0.00 C ATOM 1600 C VAL A 107 -0.984 -9.420 -2.835 1.00 0.00 C ATOM 1601 O VAL A 107 -0.585 -8.447 -3.441 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.591 -8.354 -1.248 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.179 -6.966 -1.748 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.756 -8.867 -2.094 1.00 0.00 C ATOM 0 H VAL A 107 0.239 -8.026 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.707 -10.300 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.894 -8.289 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.023 -6.282 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.347 -6.596 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.874 -7.031 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.598 -8.181 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.447 -8.932 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.055 -9.854 -1.741 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.064 -10.580 -3.417 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.657 -10.700 -4.841 1.00 0.00 C ATOM 1616 C VAL A 108 -1.419 -9.643 -5.648 1.00 0.00 C ATOM 1617 O VAL A 108 -2.249 -8.944 -5.116 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.003 -12.094 -5.371 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.233 -12.720 -6.020 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.476 -12.979 -4.216 1.00 0.00 C ATOM 0 H VAL A 108 -1.389 -11.440 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 108 0.419 -10.549 -4.933 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.797 -12.010 -6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.017 -13.712 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.568 -12.092 -6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.030 -12.802 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.722 -13.971 -4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.683 -13.061 -3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.360 -12.536 -3.757 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.158 -9.519 -6.922 1.00 0.00 N ATOM 1631 CA LYS A 109 -1.896 -8.499 -7.731 1.00 0.00 C ATOM 1632 C LYS A 109 -1.987 -8.986 -9.197 1.00 0.00 C ATOM 1633 O LYS A 109 -1.085 -9.659 -9.657 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.141 -7.162 -7.667 1.00 0.00 C ATOM 1635 CG LYS A 109 0.195 -7.266 -8.410 1.00 0.00 C ATOM 1636 CD LYS A 109 0.080 -6.559 -9.763 1.00 0.00 C ATOM 1637 CE LYS A 109 1.409 -6.668 -10.514 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.695 -5.381 -11.207 1.00 0.00 N ATOM 0 H LYS A 109 -0.473 -10.073 -7.436 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.902 -8.362 -7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.749 -6.372 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.965 -6.886 -6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.990 -6.813 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.462 -8.313 -8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.720 -7.007 -10.352 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.181 -5.511 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.214 -6.905 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.364 -7.481 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.598 -5.455 -11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.932 -5.173 -11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.755 -4.615 -10.506 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.038 -8.627 -9.921 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.177 -7.811 -9.433 1.00 0.00 C ATOM 1654 C PRO A 110 -5.063 -8.638 -8.492 1.00 0.00 C ATOM 1655 O PRO A 110 -5.316 -9.803 -8.727 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.979 -7.463 -10.695 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.273 -8.132 -11.900 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.132 -8.996 -11.345 1.00 0.00 C ATOM 0 HA PRO A 110 -3.838 -6.932 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.005 -7.820 -10.607 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.028 -6.383 -10.832 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.976 -8.743 -12.465 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.885 -7.377 -12.584 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.346 -10.058 -11.465 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.196 -8.798 -11.867 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.535 -8.040 -7.432 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.405 -8.783 -6.476 1.00 0.00 C ATOM 1668 C PHE A 111 -7.864 -8.458 -6.752 1.00 0.00 C ATOM 1669 O PHE A 111 -8.187 -7.474 -7.388 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.092 -8.338 -5.048 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.762 -6.873 -5.061 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.772 -5.929 -5.263 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.441 -6.462 -4.910 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.449 -4.571 -5.316 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.116 -5.109 -4.954 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.119 -4.158 -5.162 1.00 0.00 C ATOM 0 H PHE A 111 -5.355 -7.067 -7.186 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.222 -9.851 -6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.946 -8.527 -4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.255 -8.910 -4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.798 -6.248 -5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.664 -7.196 -4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.226 -3.838 -5.476 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.091 -4.795 -4.828 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.870 -3.108 -5.204 1.00 0.00 H new ATOM 1686 N THR A 112 -8.749 -9.254 -6.236 1.00 0.00 N ATOM 1687 CA THR A 112 -10.192 -8.971 -6.418 1.00 0.00 C ATOM 1688 C THR A 112 -10.642 -8.152 -5.213 1.00 0.00 C ATOM 1689 O THR A 112 -10.141 -8.332 -4.122 1.00 0.00 O ATOM 1690 CB THR A 112 -10.979 -10.282 -6.473 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.113 -11.337 -6.865 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.122 -10.154 -7.480 1.00 0.00 C ATOM 0 H THR A 112 -8.535 -10.091 -5.694 1.00 0.00 H new ATOM 0 HA THR A 112 -10.366 -8.430 -7.348 1.00 0.00 H new ATOM 0 HB THR A 112 -11.392 -10.499 -5.488 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.616 -12.177 -6.899 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.681 -11.089 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.787 -9.346 -7.175 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.715 -9.935 -8.467 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.560 -7.248 -5.387 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.005 -6.431 -4.227 1.00 0.00 C ATOM 1702 C ALA A 113 -12.276 -7.351 -3.044 1.00 0.00 C ATOM 1703 O ALA A 113 -12.025 -7.004 -1.907 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.275 -5.658 -4.590 1.00 0.00 C ATOM 0 H ALA A 113 -12.019 -7.040 -6.274 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.225 -5.717 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.595 -5.062 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.072 -5.001 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.064 -6.360 -4.858 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.761 -8.533 -3.295 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.012 -9.469 -2.170 1.00 0.00 C ATOM 1712 C ALA A 114 -11.665 -9.880 -1.587 1.00 0.00 C ATOM 1713 O ALA A 114 -11.525 -10.070 -0.396 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.765 -10.702 -2.673 1.00 0.00 C ATOM 0 H ALA A 114 -12.992 -8.888 -4.223 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.621 -8.986 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.945 -11.383 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.718 -10.396 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.169 -11.207 -3.433 1.00 0.00 H new ATOM 1720 N THR A 115 -10.663 -9.995 -2.413 1.00 0.00 N ATOM 1721 CA THR A 115 -9.325 -10.360 -1.889 1.00 0.00 C ATOM 1722 C THR A 115 -8.785 -9.163 -1.099 1.00 0.00 C ATOM 1723 O THR A 115 -8.656 -9.232 0.107 1.00 0.00 O ATOM 1724 CB THR A 115 -8.389 -10.721 -3.043 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.698 -12.030 -3.501 1.00 0.00 O ATOM 1726 CG2 THR A 115 -6.934 -10.679 -2.566 1.00 0.00 C ATOM 0 H THR A 115 -10.715 -9.852 -3.422 1.00 0.00 H new ATOM 0 HA THR A 115 -9.393 -11.231 -1.237 1.00 0.00 H new ATOM 0 HB THR A 115 -8.520 -10.004 -3.854 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.102 -12.266 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.272 -10.937 -3.393 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.696 -9.676 -2.211 1.00 0.00 H new ATOM 0 HG23 THR A 115 -6.796 -11.394 -1.755 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.486 -8.051 -1.744 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.989 -6.882 -0.963 1.00 0.00 C ATOM 1736 C LEU A 116 -8.906 -6.645 0.243 1.00 0.00 C ATOM 1737 O LEU A 116 -8.451 -6.334 1.325 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.996 -5.630 -1.837 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.880 -4.683 -1.373 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.511 -5.231 -1.794 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.080 -3.300 -1.996 1.00 0.00 C ATOM 0 H LEU A 116 -8.564 -7.911 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.973 -7.089 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.848 -5.901 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.963 -5.131 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.919 -4.606 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.728 -4.551 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.357 -6.211 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.473 -5.321 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.285 -2.633 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.053 -3.383 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.045 -2.898 -1.687 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.197 -6.783 0.067 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.127 -6.556 1.206 1.00 0.00 C ATOM 1755 C GLU A 117 -10.940 -7.652 2.252 1.00 0.00 C ATOM 1756 O GLU A 117 -10.467 -7.407 3.345 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.573 -6.573 0.709 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.523 -6.349 1.888 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.791 -7.681 2.591 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.400 -8.542 1.977 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -13.384 -7.818 3.733 1.00 0.00 O ATOM 0 H GLU A 117 -10.642 -7.042 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.909 -5.586 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.719 -5.797 -0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.792 -7.526 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.087 -5.637 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.460 -5.917 1.536 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.317 -8.855 1.920 1.00 0.00 N ATOM 1769 CA GLU A 118 -11.177 -9.990 2.878 1.00 0.00 C ATOM 1770 C GLU A 118 -9.825 -9.902 3.586 1.00 0.00 C ATOM 1771 O GLU A 118 -9.634 -10.448 4.655 1.00 0.00 O ATOM 1772 CB GLU A 118 -11.265 -11.311 2.112 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.114 -12.481 3.086 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.426 -13.791 2.360 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -11.671 -13.741 1.167 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.414 -14.824 3.012 1.00 0.00 O ATOM 0 H GLU A 118 -11.720 -9.104 1.017 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.975 -9.941 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.221 -11.379 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.485 -11.355 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.100 -12.507 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.788 -12.353 3.933 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.888 -9.211 3.002 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.553 -9.077 3.644 1.00 0.00 C ATOM 1785 C LYS A 119 -7.554 -7.842 4.546 1.00 0.00 C ATOM 1786 O LYS A 119 -7.132 -7.891 5.686 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.478 -8.924 2.565 1.00 0.00 C ATOM 1788 CG LYS A 119 -6.237 -10.276 1.887 1.00 0.00 C ATOM 1789 CD LYS A 119 -5.050 -10.980 2.552 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.735 -10.369 2.059 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.827 -10.148 3.221 1.00 0.00 N ATOM 0 H LYS A 119 -8.989 -8.733 2.107 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.340 -9.966 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.791 -8.186 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.552 -8.558 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.130 -10.897 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.039 -10.131 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.121 -10.885 3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.074 -12.045 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.262 -11.032 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.928 -9.425 1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.841 -10.130 2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.058 -9.241 3.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.949 -10.919 3.908 1.00 0.00 H new ATOM 1805 N LEU A 120 -8.030 -6.732 4.047 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.059 -5.501 4.883 1.00 0.00 C ATOM 1807 C LEU A 120 -8.834 -5.788 6.170 1.00 0.00 C ATOM 1808 O LEU A 120 -8.346 -5.575 7.259 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.762 -4.362 4.129 1.00 0.00 C ATOM 1810 CG LEU A 120 -7.798 -3.644 3.173 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.564 -2.552 2.425 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -6.657 -2.983 3.951 1.00 0.00 C ATOM 0 H LEU A 120 -8.398 -6.627 3.101 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.035 -5.205 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.605 -4.762 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.168 -3.646 4.844 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.384 -4.377 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.888 -2.036 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -9.378 -3.002 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.972 -1.838 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.986 -2.480 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -7.068 -2.254 4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.104 -3.744 4.503 1.00 0.00 H new ATOM 1824 N ASN A 121 -10.045 -6.261 6.051 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.856 -6.552 7.268 1.00 0.00 C ATOM 1826 C ASN A 121 -10.009 -7.319 8.283 1.00 0.00 C ATOM 1827 O ASN A 121 -9.940 -6.966 9.444 1.00 0.00 O ATOM 1828 CB ASN A 121 -12.073 -7.394 6.880 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.317 -6.504 6.838 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.234 -5.341 6.495 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -14.474 -7.004 7.174 1.00 0.00 N ATOM 0 H ASN A 121 -10.508 -6.459 5.164 1.00 0.00 H new ATOM 0 HA ASN A 121 -11.187 -5.613 7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.912 -7.858 5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.214 -8.201 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -15.309 -6.419 7.149 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -14.544 -7.980 7.462 1.00 0.00 H new ATOM 1838 N LYS A 122 -9.363 -8.363 7.854 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.517 -9.154 8.791 1.00 0.00 C ATOM 1840 C LYS A 122 -7.468 -8.239 9.425 1.00 0.00 C ATOM 1841 O LYS A 122 -7.009 -8.472 10.525 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.812 -10.272 8.021 1.00 0.00 C ATOM 1843 CG LYS A 122 -8.395 -11.626 8.430 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.696 -12.738 7.645 1.00 0.00 C ATOM 1845 CE LYS A 122 -8.485 -14.041 7.788 1.00 0.00 C ATOM 1846 NZ LYS A 122 -8.571 -14.413 9.228 1.00 0.00 N ATOM 0 H LYS A 122 -9.383 -8.705 6.893 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.145 -9.586 9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.935 -10.121 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.742 -10.249 8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.263 -11.783 9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.467 -11.647 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.619 -12.461 6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.680 -12.874 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -9.485 -13.921 7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -7.999 -14.837 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -8.891 -15.399 9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.634 -14.313 9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -9.248 -13.787 9.708 1.00 0.00 H new ATOM 1860 N ILE A 123 -7.076 -7.205 8.731 1.00 0.00 N ATOM 1861 CA ILE A 123 -6.045 -6.283 9.286 1.00 0.00 C ATOM 1862 C ILE A 123 -6.701 -5.212 10.165 1.00 0.00 C ATOM 1863 O ILE A 123 -6.181 -4.851 11.203 1.00 0.00 O ATOM 1864 CB ILE A 123 -5.305 -5.603 8.135 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -4.252 -6.560 7.572 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.621 -4.333 8.645 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.747 -6.031 6.229 1.00 0.00 C ATOM 0 H ILE A 123 -7.425 -6.959 7.805 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.347 -6.860 9.893 1.00 0.00 H new ATOM 0 HB ILE A 123 -6.015 -5.341 7.351 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.422 -6.657 8.272 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.680 -7.555 7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.093 -3.849 7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -5.371 -3.652 9.046 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.910 -4.593 9.430 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.997 -6.713 5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.580 -5.957 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.303 -5.045 6.370 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.822 -4.682 9.755 1.00 0.00 N ATOM 1880 CA PHE A 124 -8.475 -3.622 10.567 1.00 0.00 C ATOM 1881 C PHE A 124 -9.008 -4.204 11.873 1.00 0.00 C ATOM 1882 O PHE A 124 -9.454 -3.483 12.741 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.616 -2.988 9.772 1.00 0.00 C ATOM 1884 CG PHE A 124 -9.034 -1.991 8.801 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -8.369 -0.854 9.279 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -9.132 -2.215 7.425 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.803 0.056 8.382 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.573 -1.300 6.528 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.908 -0.168 7.003 1.00 0.00 C ATOM 0 H PHE A 124 -8.310 -4.937 8.896 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.736 -2.857 10.804 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -10.175 -3.755 9.236 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -10.317 -2.495 10.445 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -8.294 -0.681 10.342 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.639 -3.094 7.055 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -7.286 0.930 8.751 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.656 -1.469 5.465 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.474 0.535 6.307 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.950 -5.494 12.035 1.00 0.00 N ATOM 1900 CA GLU A 125 -9.439 -6.084 13.307 1.00 0.00 C ATOM 1901 C GLU A 125 -8.437 -5.732 14.403 1.00 0.00 C ATOM 1902 O GLU A 125 -8.747 -5.748 15.578 1.00 0.00 O ATOM 1903 CB GLU A 125 -9.551 -7.603 13.168 1.00 0.00 C ATOM 1904 CG GLU A 125 -10.902 -8.066 13.714 1.00 0.00 C ATOM 1905 CD GLU A 125 -12.014 -7.652 12.748 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -12.317 -8.427 11.857 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -12.543 -6.566 12.917 1.00 0.00 O ATOM 0 H GLU A 125 -8.589 -6.158 11.350 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.425 -5.690 13.555 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.451 -7.892 12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.741 -8.089 13.711 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.902 -9.148 13.843 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -11.078 -7.628 14.697 1.00 0.00 H new ATOM 1914 N LYS A 126 -7.238 -5.390 14.013 1.00 0.00 N ATOM 1915 CA LYS A 126 -6.201 -5.006 15.007 1.00 0.00 C ATOM 1916 C LYS A 126 -6.148 -3.480 15.074 1.00 0.00 C ATOM 1917 O LYS A 126 -5.838 -2.902 16.096 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.838 -5.551 14.561 1.00 0.00 C ATOM 1919 CG LYS A 126 -4.136 -6.263 15.725 1.00 0.00 C ATOM 1920 CD LYS A 126 -4.704 -7.677 15.879 1.00 0.00 C ATOM 1921 CE LYS A 126 -3.977 -8.398 17.016 1.00 0.00 C ATOM 1922 NZ LYS A 126 -4.974 -8.926 17.988 1.00 0.00 N ATOM 0 H LYS A 126 -6.933 -5.361 13.040 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.443 -5.418 15.987 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.971 -6.244 13.730 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.214 -4.734 14.198 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.062 -6.309 15.542 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.278 -5.700 16.648 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.773 -7.630 16.088 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.585 -8.231 14.948 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.375 -9.214 16.617 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -3.293 -7.713 17.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -4.480 -9.416 18.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -5.530 -8.138 18.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -5.610 -9.593 17.506 1.00 0.00 H new ATOM 1936 N LEU A 127 -6.463 -2.824 13.987 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.447 -1.335 13.984 1.00 0.00 C ATOM 1938 C LEU A 127 -7.789 -0.823 14.510 1.00 0.00 C ATOM 1939 O LEU A 127 -7.897 0.295 14.972 1.00 0.00 O ATOM 1940 CB LEU A 127 -6.219 -0.814 12.557 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.964 0.061 12.527 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.703 0.530 11.096 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.164 1.281 13.433 1.00 0.00 C ATOM 0 H LEU A 127 -6.730 -3.257 13.103 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.638 -0.978 14.622 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -6.109 -1.650 11.867 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.084 -0.239 12.226 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.112 -0.519 12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.809 1.153 11.075 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.557 -0.336 10.450 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.557 1.108 10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.269 1.902 13.410 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.017 1.860 13.080 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.349 0.949 14.455 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.812 -1.639 14.450 1.00 0.00 N ATOM 1956 CA GLY A 128 -10.150 -1.206 14.950 1.00 0.00 C ATOM 1957 C GLY A 128 -10.447 0.218 14.476 1.00 0.00 C ATOM 1958 O GLY A 128 -10.376 1.161 15.237 1.00 0.00 O ATOM 0 H GLY A 128 -8.777 -2.587 14.076 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.921 -1.887 14.589 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -10.172 -1.248 16.039 1.00 0.00 H new ATOM 1962 N MET A 129 -10.781 0.381 13.224 1.00 0.00 N ATOM 1963 CA MET A 129 -11.082 1.747 12.707 1.00 0.00 C ATOM 1964 C MET A 129 -12.588 2.006 12.801 1.00 0.00 C ATOM 1965 O MET A 129 -13.342 1.061 12.645 1.00 0.00 O ATOM 1966 CB MET A 129 -10.639 1.851 11.246 1.00 0.00 C ATOM 1967 CG MET A 129 -9.242 2.472 11.178 1.00 0.00 C ATOM 1968 SD MET A 129 -9.365 4.260 11.435 1.00 0.00 S ATOM 1969 CE MET A 129 -7.820 4.465 12.356 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.959 3.146 13.030 1.00 0.00 O ATOM 0 H MET A 129 -10.858 -0.370 12.539 1.00 0.00 H new ATOM 0 HA MET A 129 -10.546 2.486 13.302 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.632 0.863 10.786 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.347 2.460 10.683 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.597 2.028 11.937 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.786 2.263 10.210 1.00 0.00 H new ATOM 0 HE1 MET A 129 -7.691 5.514 12.622 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.855 3.862 13.264 1.00 0.00 H new ATOM 0 HE3 MET A 129 -6.982 4.142 11.738 1.00 0.00 H new