USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 755 hydrogens (62 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 59 ASN : amide:sc= 0.76 K(o=1.5,f=-15!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -112:sc= 0.756 (180deg=-2.63!) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -131:sc= -0.769! (180deg=-2.61!) USER MOD Set 2.2: A 87 COA O2B : rot -133:sc= 1.8 USER MOD Set 3.1: A 29 SER OG : rot -81:sc= 0.566 USER MOD Set 3.2: A 30 HIS : no HE2:sc= -5.21! C(o=-4.6!,f=-15!) USER MOD Set 4.1: A 28 TYR OH : rot 157:sc= 0.848 USER MOD Set 4.2: A 54 LYS NZ :NH3+ -158:sc= 1.22 (180deg=0.503) USER MOD Set 5.1: A 1 SER N :NH3+ -174:sc= 0.0987 (180deg=0) USER MOD Set 5.2: A 1 SER OG : rot 120:sc= -3.01! USER MOD Set 5.3: A 70 MET CE :methyl 133:sc= -1.86 (180deg=-0.778) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.288 F(o=-1.4,f=-0.29) USER MOD Single : A 7 LYS NZ :NH3+ -139:sc= 1.24 (180deg=-0.34) USER MOD Single : A 13 LYS NZ :NH3+ -133:sc= -0.177 (180deg=-6.57!) USER MOD Single : A 14 HIS : no HE2:sc= 0.73 K(o=0.73,f=-5.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 162:sc= -0.433! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -121:sc= -1.96! (180deg=-2.53!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -4.74! C(o=-6.3!,f=-4.7!) USER MOD Single : A 35 THR OG1 : rot -79:sc= 0.803 USER MOD Single : A 40 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.078) USER MOD Single : A 41 THR OG1 : rot 160:sc= 0.849 USER MOD Single : A 46 MET CE :methyl -121:sc= 0 (180deg=-0.0159) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= 0.808 (180deg=0.73) USER MOD Single : A 64 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 0.864 (180deg=0.163) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 19:sc= -0.971! USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= -1.78! (180deg=-4.15!) USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= -0.526 (180deg=-1.61!) USER MOD Single : A 82 LYS NZ :NH3+ -108:sc= 0.96 (180deg=-0.386) USER MOD Single : A 83 LYS NZ :NH3+ -162:sc= -0.0132 (180deg=-0.423) USER MOD Single : A 84 TYR OH : rot 180:sc= 0.869 USER MOD Single : A 87 COA OAP : rot 100:sc= -1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.821 4.755 -7.456 1.00 3.50 N ATOM 2 CA SER A 1 2.325 4.672 -7.333 1.00 1.43 C ATOM 3 C SER A 1 1.931 4.350 -5.885 1.00 0.95 C ATOM 4 O SER A 1 1.152 5.062 -5.283 1.00 1.21 O ATOM 5 CB SER A 1 1.773 3.570 -8.237 1.00 3.51 C ATOM 6 OG SER A 1 2.595 2.491 -7.823 1.00 5.01 O ATOM 0 H1 SER A 1 4.074 5.073 -8.414 1.00 3.50 H new ATOM 0 H2 SER A 1 4.190 5.432 -6.758 1.00 3.50 H new ATOM 0 H3 SER A 1 4.236 3.818 -7.281 1.00 3.50 H new ATOM 0 HA SER A 1 1.910 5.635 -7.630 1.00 1.43 H new ATOM 0 HB2 SER A 1 0.714 3.379 -8.065 1.00 3.51 H new ATOM 0 HB3 SER A 1 1.887 3.801 -9.296 1.00 3.51 H new ATOM 0 HG SER A 1 2.034 1.771 -7.465 1.00 5.01 H new ATOM 14 N GLN A 2 2.489 3.273 -5.400 1.00 0.94 N ATOM 15 CA GLN A 2 2.233 2.799 -4.011 1.00 1.22 C ATOM 16 C GLN A 2 3.366 3.269 -3.084 1.00 1.28 C ATOM 17 O GLN A 2 4.487 2.817 -3.170 1.00 1.51 O ATOM 18 CB GLN A 2 2.133 1.223 -4.037 1.00 1.55 C ATOM 19 CG GLN A 2 3.513 0.615 -4.483 1.00 1.86 C ATOM 20 CD GLN A 2 3.524 -0.882 -4.739 1.00 0.85 C ATOM 21 OE1 GLN A 2 4.166 -1.612 -3.905 1.00 0.98 O flip ATOM 22 NE2 GLN A 2 2.988 -1.452 -5.661 1.00 0.31 N flip ATOM 0 H GLN A 2 3.133 2.684 -5.929 1.00 0.94 H new ATOM 0 HA GLN A 2 1.299 3.212 -3.629 1.00 1.22 H new ATOM 0 HB2 GLN A 2 1.861 0.849 -3.050 1.00 1.55 H new ATOM 0 HB3 GLN A 2 1.347 0.910 -4.724 1.00 1.55 H new ATOM 0 HG2 GLN A 2 3.835 1.122 -5.392 1.00 1.86 H new ATOM 0 HG3 GLN A 2 4.253 0.838 -3.714 1.00 1.86 H new ATOM 0 HE21 GLN A 2 2.463 -0.919 -6.355 1.00 0.31 H new ATOM 0 HE22 GLN A 2 3.060 -2.466 -5.745 1.00 0.31 H new ATOM 31 N ALA A 3 3.061 4.188 -2.214 1.00 1.23 N ATOM 32 CA ALA A 3 4.071 4.731 -1.238 1.00 1.20 C ATOM 33 C ALA A 3 5.095 3.688 -0.688 1.00 1.08 C ATOM 34 O ALA A 3 6.186 4.030 -0.296 1.00 1.19 O ATOM 35 CB ALA A 3 3.267 5.367 -0.094 1.00 1.21 C ATOM 0 H ALA A 3 2.133 4.602 -2.129 1.00 1.23 H new ATOM 0 HA ALA A 3 4.701 5.450 -1.763 1.00 1.20 H new ATOM 0 HB1 ALA A 3 3.952 5.779 0.647 1.00 1.21 H new ATOM 0 HB2 ALA A 3 2.639 6.165 -0.490 1.00 1.21 H new ATOM 0 HB3 ALA A 3 2.639 4.609 0.374 1.00 1.21 H new ATOM 41 N GLU A 4 4.718 2.434 -0.701 1.00 0.88 N ATOM 42 CA GLU A 4 5.585 1.347 -0.197 1.00 0.78 C ATOM 43 C GLU A 4 6.797 1.071 -1.059 1.00 0.49 C ATOM 44 O GLU A 4 7.844 0.674 -0.594 1.00 0.17 O ATOM 45 CB GLU A 4 4.663 0.131 -0.043 1.00 0.97 C ATOM 46 CG GLU A 4 3.864 0.241 1.303 1.00 1.34 C ATOM 47 CD GLU A 4 4.805 0.350 2.520 1.00 3.81 C ATOM 48 OE1 GLU A 4 5.202 -0.671 3.061 1.00 3.86 O ATOM 49 OE2 GLU A 4 5.084 1.496 2.835 1.00 5.91 O ATOM 0 H GLU A 4 3.814 2.118 -1.053 1.00 0.88 H new ATOM 0 HA GLU A 4 6.038 1.629 0.754 1.00 0.78 H new ATOM 0 HB2 GLU A 4 3.972 0.078 -0.884 1.00 0.97 H new ATOM 0 HB3 GLU A 4 5.251 -0.787 -0.054 1.00 0.97 H new ATOM 0 HG2 GLU A 4 3.212 1.114 1.268 1.00 1.34 H new ATOM 0 HG3 GLU A 4 3.222 -0.632 1.417 1.00 1.34 H new ATOM 56 N PHE A 5 6.606 1.314 -2.305 1.00 0.63 N ATOM 57 CA PHE A 5 7.661 1.119 -3.319 1.00 0.46 C ATOM 58 C PHE A 5 8.603 2.302 -3.135 1.00 0.42 C ATOM 59 O PHE A 5 9.807 2.161 -3.116 1.00 0.27 O ATOM 60 CB PHE A 5 6.958 1.134 -4.620 1.00 0.60 C ATOM 61 CG PHE A 5 7.986 1.404 -5.712 1.00 0.37 C ATOM 62 CD1 PHE A 5 8.799 0.386 -6.171 1.00 2.17 C ATOM 63 CD2 PHE A 5 8.124 2.672 -6.231 1.00 2.56 C ATOM 64 CE1 PHE A 5 9.744 0.628 -7.142 1.00 2.38 C ATOM 65 CE2 PHE A 5 9.070 2.914 -7.203 1.00 2.35 C ATOM 66 CZ PHE A 5 9.880 1.895 -7.657 1.00 0.14 C ATOM 0 H PHE A 5 5.723 1.656 -2.684 1.00 0.63 H new ATOM 0 HA PHE A 5 8.236 0.196 -3.247 1.00 0.46 H new ATOM 0 HB2 PHE A 5 6.460 0.180 -4.794 1.00 0.60 H new ATOM 0 HB3 PHE A 5 6.186 1.903 -4.626 1.00 0.60 H new ATOM 0 HD1 PHE A 5 8.692 -0.609 -5.764 1.00 2.17 H new ATOM 0 HD2 PHE A 5 7.493 3.474 -5.877 1.00 2.56 H new ATOM 0 HE1 PHE A 5 10.375 -0.173 -7.497 1.00 2.38 H new ATOM 0 HE2 PHE A 5 9.178 3.908 -7.612 1.00 2.35 H new ATOM 0 HZ PHE A 5 10.621 2.092 -8.417 1.00 0.14 H new ATOM 76 N ASP A 6 8.000 3.451 -3.023 1.00 0.69 N ATOM 77 CA ASP A 6 8.759 4.704 -2.824 1.00 0.81 C ATOM 78 C ASP A 6 9.621 4.512 -1.580 1.00 0.75 C ATOM 79 O ASP A 6 10.819 4.698 -1.525 1.00 0.88 O ATOM 80 CB ASP A 6 7.708 5.781 -2.672 1.00 1.12 C ATOM 81 CG ASP A 6 6.826 5.924 -3.900 1.00 1.41 C ATOM 82 OD1 ASP A 6 6.085 4.998 -4.177 1.00 1.20 O ATOM 83 OD2 ASP A 6 6.953 6.971 -4.496 1.00 2.02 O ATOM 0 H ASP A 6 6.988 3.571 -3.063 1.00 0.69 H new ATOM 0 HA ASP A 6 9.430 4.977 -3.639 1.00 0.81 H new ATOM 0 HB2 ASP A 6 7.084 5.553 -1.808 1.00 1.12 H new ATOM 0 HB3 ASP A 6 8.198 6.734 -2.470 1.00 1.12 H new ATOM 88 N LYS A 7 8.909 4.091 -0.590 1.00 0.63 N ATOM 89 CA LYS A 7 9.520 3.826 0.734 1.00 0.78 C ATOM 90 C LYS A 7 10.624 2.802 0.489 1.00 0.60 C ATOM 91 O LYS A 7 11.721 2.969 0.981 1.00 0.72 O ATOM 92 CB LYS A 7 8.435 3.275 1.662 1.00 0.84 C ATOM 93 CG LYS A 7 9.046 3.021 3.050 1.00 1.24 C ATOM 94 CD LYS A 7 7.918 2.470 3.966 1.00 1.85 C ATOM 95 CE LYS A 7 8.471 2.179 5.359 1.00 2.13 C ATOM 96 NZ LYS A 7 9.365 0.991 5.241 1.00 3.68 N ATOM 0 H LYS A 7 7.906 3.914 -0.639 1.00 0.63 H new ATOM 0 HA LYS A 7 9.936 4.718 1.202 1.00 0.78 H new ATOM 0 HB2 LYS A 7 7.609 3.983 1.738 1.00 0.84 H new ATOM 0 HB3 LYS A 7 8.026 2.350 1.256 1.00 0.84 H new ATOM 0 HG2 LYS A 7 9.867 2.307 2.982 1.00 1.24 H new ATOM 0 HG3 LYS A 7 9.458 3.942 3.462 1.00 1.24 H new ATOM 0 HD2 LYS A 7 7.106 3.194 4.032 1.00 1.85 H new ATOM 0 HD3 LYS A 7 7.500 1.561 3.535 1.00 1.85 H new ATOM 0 HE2 LYS A 7 9.022 3.038 5.741 1.00 2.13 H new ATOM 0 HE3 LYS A 7 7.661 1.982 6.061 1.00 2.13 H new ATOM 0 HZ1 LYS A 7 9.216 0.362 6.056 1.00 3.68 H new ATOM 0 HZ2 LYS A 7 9.146 0.478 4.363 1.00 3.68 H new ATOM 0 HZ3 LYS A 7 10.357 1.303 5.221 1.00 3.68 H new ATOM 110 N ALA A 8 10.332 1.777 -0.278 1.00 0.33 N ATOM 111 CA ALA A 8 11.397 0.767 -0.527 1.00 0.30 C ATOM 112 C ALA A 8 12.577 1.546 -1.139 1.00 0.23 C ATOM 113 O ALA A 8 13.686 1.398 -0.688 1.00 0.17 O ATOM 114 CB ALA A 8 10.839 -0.304 -1.483 1.00 0.26 C ATOM 0 H ALA A 8 9.433 1.603 -0.727 1.00 0.33 H new ATOM 0 HA ALA A 8 11.727 0.250 0.374 1.00 0.30 H new ATOM 0 HB1 ALA A 8 11.606 -1.054 -1.677 1.00 0.26 H new ATOM 0 HB2 ALA A 8 9.972 -0.782 -1.027 1.00 0.26 H new ATOM 0 HB3 ALA A 8 10.544 0.165 -2.422 1.00 0.26 H new ATOM 120 N ALA A 9 12.351 2.363 -2.140 1.00 0.24 N ATOM 121 CA ALA A 9 13.484 3.129 -2.738 1.00 0.20 C ATOM 122 C ALA A 9 14.218 3.936 -1.666 1.00 0.24 C ATOM 123 O ALA A 9 15.409 3.741 -1.530 1.00 0.39 O ATOM 124 CB ALA A 9 12.915 4.042 -3.840 1.00 0.18 C ATOM 0 H ALA A 9 11.438 2.530 -2.564 1.00 0.24 H new ATOM 0 HA ALA A 9 14.214 2.446 -3.172 1.00 0.20 H new ATOM 0 HB1 ALA A 9 13.725 4.613 -4.293 1.00 0.18 H new ATOM 0 HB2 ALA A 9 12.430 3.433 -4.603 1.00 0.18 H new ATOM 0 HB3 ALA A 9 12.187 4.727 -3.405 1.00 0.18 H new ATOM 130 N GLU A 10 13.524 4.776 -0.939 1.00 0.20 N ATOM 131 CA GLU A 10 14.189 5.595 0.131 1.00 0.21 C ATOM 132 C GLU A 10 15.041 4.645 0.937 1.00 0.24 C ATOM 133 O GLU A 10 16.216 4.864 1.131 1.00 0.27 O ATOM 134 CB GLU A 10 13.125 6.245 1.048 1.00 0.22 C ATOM 135 CG GLU A 10 12.126 7.092 0.211 1.00 0.70 C ATOM 136 CD GLU A 10 11.132 7.865 1.097 1.00 0.47 C ATOM 137 OE1 GLU A 10 10.289 7.211 1.700 1.00 2.11 O ATOM 138 OE2 GLU A 10 11.297 9.077 1.101 1.00 2.17 O ATOM 0 H GLU A 10 12.521 4.933 -1.038 1.00 0.20 H new ATOM 0 HA GLU A 10 14.787 6.393 -0.308 1.00 0.21 H new ATOM 0 HB2 GLU A 10 12.586 5.471 1.594 1.00 0.22 H new ATOM 0 HB3 GLU A 10 13.613 6.877 1.790 1.00 0.22 H new ATOM 0 HG2 GLU A 10 12.681 7.796 -0.409 1.00 0.70 H new ATOM 0 HG3 GLU A 10 11.575 6.438 -0.464 1.00 0.70 H new ATOM 145 N GLU A 11 14.439 3.593 1.376 1.00 0.29 N ATOM 146 CA GLU A 11 15.223 2.623 2.187 1.00 0.23 C ATOM 147 C GLU A 11 16.391 1.950 1.421 1.00 0.29 C ATOM 148 O GLU A 11 17.484 1.848 1.943 1.00 0.47 O ATOM 149 CB GLU A 11 14.203 1.627 2.713 1.00 0.18 C ATOM 150 CG GLU A 11 13.234 2.485 3.615 1.00 0.14 C ATOM 151 CD GLU A 11 13.173 2.033 5.068 1.00 0.31 C ATOM 152 OE1 GLU A 11 14.210 2.130 5.698 1.00 1.29 O ATOM 153 OE2 GLU A 11 12.092 1.620 5.460 1.00 1.13 O ATOM 0 H GLU A 11 13.459 3.357 1.218 1.00 0.29 H new ATOM 0 HA GLU A 11 15.743 3.134 2.997 1.00 0.23 H new ATOM 0 HB2 GLU A 11 13.663 1.146 1.898 1.00 0.18 H new ATOM 0 HB3 GLU A 11 14.683 0.835 3.289 1.00 0.18 H new ATOM 0 HG2 GLU A 11 13.553 3.527 3.583 1.00 0.14 H new ATOM 0 HG3 GLU A 11 12.231 2.446 3.191 1.00 0.14 H new ATOM 160 N VAL A 12 16.195 1.516 0.197 1.00 0.20 N ATOM 161 CA VAL A 12 17.279 0.850 -0.599 1.00 0.29 C ATOM 162 C VAL A 12 18.407 1.820 -0.827 1.00 0.36 C ATOM 163 O VAL A 12 19.551 1.456 -0.656 1.00 0.43 O ATOM 164 CB VAL A 12 16.734 0.343 -1.993 1.00 0.30 C ATOM 165 CG1 VAL A 12 16.972 1.317 -3.178 1.00 0.30 C ATOM 166 CG2 VAL A 12 17.464 -0.932 -2.391 1.00 0.27 C ATOM 0 H VAL A 12 15.306 1.598 -0.296 1.00 0.20 H new ATOM 0 HA VAL A 12 17.636 -0.011 -0.034 1.00 0.29 H new ATOM 0 HB VAL A 12 15.662 0.222 -1.837 1.00 0.30 H new ATOM 0 HG11 VAL A 12 16.565 0.884 -4.092 1.00 0.30 H new ATOM 0 HG12 VAL A 12 16.477 2.266 -2.974 1.00 0.30 H new ATOM 0 HG13 VAL A 12 18.042 1.485 -3.302 1.00 0.30 H new ATOM 0 HG21 VAL A 12 17.088 -1.282 -3.353 1.00 0.27 H new ATOM 0 HG22 VAL A 12 18.532 -0.730 -2.471 1.00 0.27 H new ATOM 0 HG23 VAL A 12 17.295 -1.699 -1.635 1.00 0.27 H new ATOM 176 N LYS A 13 18.096 3.029 -1.209 1.00 0.35 N ATOM 177 CA LYS A 13 19.160 4.020 -1.440 1.00 0.41 C ATOM 178 C LYS A 13 19.959 4.178 -0.134 1.00 0.45 C ATOM 179 O LYS A 13 21.095 4.599 -0.136 1.00 0.68 O ATOM 180 CB LYS A 13 18.437 5.278 -1.913 1.00 0.47 C ATOM 181 CG LYS A 13 17.696 4.947 -3.228 1.00 0.64 C ATOM 182 CD LYS A 13 17.168 6.200 -3.963 1.00 0.92 C ATOM 183 CE LYS A 13 16.710 7.395 -3.087 1.00 2.18 C ATOM 184 NZ LYS A 13 17.924 8.178 -2.708 1.00 1.86 N ATOM 0 H LYS A 13 17.146 3.364 -1.369 1.00 0.35 H new ATOM 0 HA LYS A 13 19.896 3.744 -2.195 1.00 0.41 H new ATOM 0 HB2 LYS A 13 17.731 5.618 -1.155 1.00 0.47 H new ATOM 0 HB3 LYS A 13 19.149 6.088 -2.072 1.00 0.47 H new ATOM 0 HG2 LYS A 13 18.370 4.403 -3.890 1.00 0.64 H new ATOM 0 HG3 LYS A 13 16.860 4.283 -3.009 1.00 0.64 H new ATOM 0 HD2 LYS A 13 17.951 6.553 -4.634 1.00 0.92 H new ATOM 0 HD3 LYS A 13 16.327 5.897 -4.587 1.00 0.92 H new ATOM 0 HE2 LYS A 13 16.007 8.022 -3.635 1.00 2.18 H new ATOM 0 HE3 LYS A 13 16.192 7.039 -2.196 1.00 2.18 H new ATOM 0 HZ1 LYS A 13 17.899 8.386 -1.689 1.00 1.86 H new ATOM 0 HZ2 LYS A 13 18.777 7.625 -2.928 1.00 1.86 H new ATOM 0 HZ3 LYS A 13 17.943 9.070 -3.243 1.00 1.86 H new ATOM 198 N HIS A 14 19.337 3.818 0.951 1.00 0.42 N ATOM 199 CA HIS A 14 20.029 3.917 2.275 1.00 0.44 C ATOM 200 C HIS A 14 20.805 2.599 2.589 1.00 0.52 C ATOM 201 O HIS A 14 21.356 2.461 3.663 1.00 0.62 O ATOM 202 CB HIS A 14 18.977 4.221 3.409 1.00 0.42 C ATOM 203 CG HIS A 14 18.558 5.701 3.386 1.00 0.32 C ATOM 204 ND1 HIS A 14 17.443 6.168 2.937 1.00 0.33 N ATOM 205 CD2 HIS A 14 19.234 6.831 3.814 1.00 0.26 C ATOM 206 CE1 HIS A 14 17.407 7.457 3.062 1.00 0.27 C ATOM 207 NE2 HIS A 14 18.508 7.913 3.605 1.00 0.20 N ATOM 0 H HIS A 14 18.383 3.460 0.984 1.00 0.42 H new ATOM 0 HA HIS A 14 20.749 4.734 2.234 1.00 0.44 H new ATOM 0 HB2 HIS A 14 18.099 3.588 3.276 1.00 0.42 H new ATOM 0 HB3 HIS A 14 19.403 3.974 4.382 1.00 0.42 H new ATOM 0 HD1 HIS A 14 16.694 5.602 2.539 1.00 0.33 H new ATOM 0 HD2 HIS A 14 20.219 6.827 4.257 1.00 0.26 H new ATOM 0 HE1 HIS A 14 16.576 8.076 2.758 1.00 0.27 H new ATOM 215 N LEU A 15 20.845 1.648 1.677 1.00 0.48 N ATOM 216 CA LEU A 15 21.593 0.347 1.885 1.00 0.57 C ATOM 217 C LEU A 15 23.145 0.479 1.919 1.00 0.65 C ATOM 218 O LEU A 15 23.845 -0.288 1.282 1.00 1.35 O ATOM 219 CB LEU A 15 21.215 -0.675 0.749 1.00 0.59 C ATOM 220 CG LEU A 15 19.899 -1.372 1.041 1.00 0.56 C ATOM 221 CD1 LEU A 15 19.552 -2.279 -0.146 1.00 0.52 C ATOM 222 CD2 LEU A 15 20.096 -2.336 2.212 1.00 0.51 C ATOM 0 H LEU A 15 20.379 1.717 0.772 1.00 0.48 H new ATOM 0 HA LEU A 15 21.284 0.000 2.871 1.00 0.57 H new ATOM 0 HB2 LEU A 15 21.146 -0.151 -0.204 1.00 0.59 H new ATOM 0 HB3 LEU A 15 22.006 -1.418 0.649 1.00 0.59 H new ATOM 0 HG LEU A 15 19.138 -0.618 1.240 1.00 0.56 H new ATOM 0 HD11 LEU A 15 18.608 -2.788 0.049 1.00 0.52 H new ATOM 0 HD12 LEU A 15 19.460 -1.676 -1.050 1.00 0.52 H new ATOM 0 HD13 LEU A 15 20.341 -3.018 -0.282 1.00 0.52 H new ATOM 0 HD21 LEU A 15 19.155 -2.842 2.429 1.00 0.51 H new ATOM 0 HD22 LEU A 15 20.854 -3.075 1.951 1.00 0.51 H new ATOM 0 HD23 LEU A 15 20.420 -1.779 3.091 1.00 0.51 H new ATOM 234 N LYS A 16 23.592 1.481 2.641 1.00 0.99 N ATOM 235 CA LYS A 16 25.028 1.860 2.892 1.00 1.02 C ATOM 236 C LYS A 16 26.087 0.823 2.587 1.00 0.79 C ATOM 237 O LYS A 16 27.202 1.123 2.207 1.00 1.22 O ATOM 238 CB LYS A 16 25.150 2.314 4.381 1.00 1.29 C ATOM 239 CG LYS A 16 24.488 1.267 5.337 1.00 1.60 C ATOM 240 CD LYS A 16 25.330 1.033 6.632 1.00 1.84 C ATOM 241 CE LYS A 16 26.566 0.170 6.310 1.00 3.36 C ATOM 242 NZ LYS A 16 27.236 -0.179 7.602 1.00 4.41 N ATOM 0 H LYS A 16 22.948 2.115 3.114 1.00 0.99 H new ATOM 0 HA LYS A 16 25.243 2.652 2.175 1.00 1.02 H new ATOM 0 HB2 LYS A 16 26.201 2.439 4.643 1.00 1.29 H new ATOM 0 HB3 LYS A 16 24.672 3.285 4.510 1.00 1.29 H new ATOM 0 HG2 LYS A 16 23.490 1.609 5.612 1.00 1.60 H new ATOM 0 HG3 LYS A 16 24.367 0.321 4.809 1.00 1.60 H new ATOM 0 HD2 LYS A 16 25.643 1.990 7.049 1.00 1.84 H new ATOM 0 HD3 LYS A 16 24.719 0.540 7.388 1.00 1.84 H new ATOM 0 HE2 LYS A 16 26.271 -0.734 5.777 1.00 3.36 H new ATOM 0 HE3 LYS A 16 27.252 0.714 5.660 1.00 3.36 H new ATOM 0 HZ1 LYS A 16 28.075 -0.763 7.411 1.00 4.41 H new ATOM 0 HZ2 LYS A 16 27.524 0.693 8.090 1.00 4.41 H new ATOM 0 HZ3 LYS A 16 26.575 -0.710 8.204 1.00 4.41 H new ATOM 256 N THR A 17 25.696 -0.397 2.758 1.00 0.67 N ATOM 257 CA THR A 17 26.585 -1.558 2.511 1.00 0.96 C ATOM 258 C THR A 17 26.586 -1.824 0.970 1.00 0.81 C ATOM 259 O THR A 17 26.092 -2.842 0.536 1.00 0.71 O ATOM 260 CB THR A 17 26.041 -2.818 3.255 1.00 1.24 C ATOM 261 OG1 THR A 17 25.855 -2.509 4.633 1.00 1.94 O ATOM 262 CG2 THR A 17 27.128 -3.856 3.353 1.00 1.56 C ATOM 0 H THR A 17 24.759 -0.650 3.072 1.00 0.67 H new ATOM 0 HA THR A 17 27.592 -1.352 2.875 1.00 0.96 H new ATOM 0 HB THR A 17 25.144 -3.138 2.724 1.00 1.24 H new ATOM 0 HG1 THR A 17 25.255 -3.169 5.038 1.00 1.94 H new ATOM 0 HG21 THR A 17 26.746 -4.735 3.873 1.00 1.56 H new ATOM 0 HG22 THR A 17 27.452 -4.139 2.352 1.00 1.56 H new ATOM 0 HG23 THR A 17 27.973 -3.446 3.906 1.00 1.56 H new ATOM 270 N LYS A 18 27.141 -0.877 0.225 1.00 0.92 N ATOM 271 CA LYS A 18 27.271 -0.906 -1.291 1.00 1.00 C ATOM 272 C LYS A 18 27.023 -2.344 -1.821 1.00 0.94 C ATOM 273 O LYS A 18 27.961 -3.097 -2.011 1.00 1.11 O ATOM 274 CB LYS A 18 28.713 -0.489 -1.723 1.00 1.31 C ATOM 275 CG LYS A 18 28.955 1.020 -1.778 1.00 2.29 C ATOM 276 CD LYS A 18 30.371 1.248 -2.413 1.00 2.58 C ATOM 277 CE LYS A 18 30.580 2.727 -2.794 1.00 4.47 C ATOM 278 NZ LYS A 18 31.926 2.865 -3.449 1.00 3.54 N ATOM 0 H LYS A 18 27.535 -0.030 0.635 1.00 0.92 H new ATOM 0 HA LYS A 18 26.537 -0.213 -1.701 1.00 1.00 H new ATOM 0 HB2 LYS A 18 29.427 -0.932 -1.029 1.00 1.31 H new ATOM 0 HB3 LYS A 18 28.919 -0.912 -2.706 1.00 1.31 H new ATOM 0 HG2 LYS A 18 28.185 1.510 -2.373 1.00 2.29 H new ATOM 0 HG3 LYS A 18 28.909 1.452 -0.778 1.00 2.29 H new ATOM 0 HD2 LYS A 18 31.143 0.939 -1.708 1.00 2.58 H new ATOM 0 HD3 LYS A 18 30.480 0.623 -3.299 1.00 2.58 H new ATOM 0 HE2 LYS A 18 29.793 3.058 -3.472 1.00 4.47 H new ATOM 0 HE3 LYS A 18 30.524 3.358 -1.907 1.00 4.47 H new ATOM 0 HZ1 LYS A 18 32.083 3.859 -3.713 1.00 3.54 H new ATOM 0 HZ2 LYS A 18 32.667 2.561 -2.786 1.00 3.54 H new ATOM 0 HZ3 LYS A 18 31.960 2.271 -4.302 1.00 3.54 H new ATOM 292 N PRO A 19 25.775 -2.706 -2.039 1.00 0.81 N ATOM 293 CA PRO A 19 25.453 -4.066 -2.539 1.00 0.79 C ATOM 294 C PRO A 19 26.277 -4.519 -3.731 1.00 0.97 C ATOM 295 O PRO A 19 26.869 -3.728 -4.441 1.00 1.23 O ATOM 296 CB PRO A 19 23.938 -4.016 -2.814 1.00 0.88 C ATOM 297 CG PRO A 19 23.459 -2.965 -1.769 1.00 0.99 C ATOM 298 CD PRO A 19 24.556 -1.878 -1.834 1.00 0.85 C ATOM 0 HA PRO A 19 25.715 -4.828 -1.805 1.00 0.79 H new ATOM 0 HB2 PRO A 19 23.718 -3.706 -3.836 1.00 0.88 H new ATOM 0 HB3 PRO A 19 23.463 -4.986 -2.666 1.00 0.88 H new ATOM 0 HG2 PRO A 19 22.478 -2.563 -2.023 1.00 0.99 H new ATOM 0 HG3 PRO A 19 23.378 -3.397 -0.771 1.00 0.99 H new ATOM 0 HD2 PRO A 19 24.392 -1.177 -2.653 1.00 0.85 H new ATOM 0 HD3 PRO A 19 24.607 -1.291 -0.917 1.00 0.85 H new ATOM 306 N ALA A 20 26.262 -5.807 -3.919 1.00 0.90 N ATOM 307 CA ALA A 20 27.040 -6.375 -5.061 1.00 1.18 C ATOM 308 C ALA A 20 26.242 -6.086 -6.346 1.00 0.86 C ATOM 309 O ALA A 20 25.021 -6.086 -6.372 1.00 0.61 O ATOM 310 CB ALA A 20 27.223 -7.883 -4.793 1.00 1.52 C ATOM 0 H ALA A 20 25.757 -6.483 -3.346 1.00 0.90 H new ATOM 0 HA ALA A 20 28.031 -5.934 -5.173 1.00 1.18 H new ATOM 0 HB1 ALA A 20 27.789 -8.332 -5.610 1.00 1.52 H new ATOM 0 HB2 ALA A 20 27.764 -8.023 -3.857 1.00 1.52 H new ATOM 0 HB3 ALA A 20 26.246 -8.361 -4.723 1.00 1.52 H new ATOM 316 N ASP A 21 26.984 -5.850 -7.383 1.00 0.88 N ATOM 317 CA ASP A 21 26.404 -5.537 -8.702 1.00 0.65 C ATOM 318 C ASP A 21 25.186 -6.397 -9.031 1.00 0.61 C ATOM 319 O ASP A 21 24.136 -5.834 -9.243 1.00 0.53 O ATOM 320 CB ASP A 21 27.593 -5.685 -9.681 1.00 0.78 C ATOM 321 CG ASP A 21 28.682 -4.648 -9.342 1.00 0.91 C ATOM 322 OD1 ASP A 21 29.253 -4.761 -8.262 1.00 1.15 O ATOM 323 OD2 ASP A 21 28.877 -3.794 -10.191 1.00 0.83 O ATOM 0 H ASP A 21 28.004 -5.863 -7.366 1.00 0.88 H new ATOM 0 HA ASP A 21 25.984 -4.533 -8.755 1.00 0.65 H new ATOM 0 HB2 ASP A 21 28.005 -6.692 -9.617 1.00 0.78 H new ATOM 0 HB3 ASP A 21 27.251 -5.545 -10.706 1.00 0.78 H new ATOM 328 N GLU A 22 25.267 -7.696 -9.076 1.00 0.66 N ATOM 329 CA GLU A 22 24.047 -8.511 -9.399 1.00 0.66 C ATOM 330 C GLU A 22 22.803 -8.080 -8.611 1.00 0.63 C ATOM 331 O GLU A 22 21.694 -8.084 -9.114 1.00 0.69 O ATOM 332 CB GLU A 22 24.309 -10.014 -9.107 1.00 0.64 C ATOM 333 CG GLU A 22 25.652 -10.535 -9.723 1.00 1.02 C ATOM 334 CD GLU A 22 26.903 -10.330 -8.844 1.00 2.89 C ATOM 335 OE1 GLU A 22 26.799 -9.664 -7.825 1.00 3.63 O ATOM 336 OE2 GLU A 22 27.907 -10.872 -9.270 1.00 4.43 O ATOM 0 H GLU A 22 26.117 -8.234 -8.905 1.00 0.66 H new ATOM 0 HA GLU A 22 23.851 -8.344 -10.458 1.00 0.66 H new ATOM 0 HB2 GLU A 22 24.326 -10.171 -8.028 1.00 0.64 H new ATOM 0 HB3 GLU A 22 23.482 -10.604 -9.502 1.00 0.64 H new ATOM 0 HG2 GLU A 22 25.547 -11.599 -9.934 1.00 1.02 H new ATOM 0 HG3 GLU A 22 25.813 -10.035 -10.678 1.00 1.02 H new ATOM 343 N GLU A 23 23.004 -7.686 -7.388 1.00 0.59 N ATOM 344 CA GLU A 23 21.837 -7.264 -6.564 1.00 0.56 C ATOM 345 C GLU A 23 21.462 -5.851 -6.990 1.00 0.55 C ATOM 346 O GLU A 23 20.300 -5.553 -7.247 1.00 0.57 O ATOM 347 CB GLU A 23 22.269 -7.379 -5.096 1.00 0.53 C ATOM 348 CG GLU A 23 22.304 -8.903 -4.704 1.00 0.50 C ATOM 349 CD GLU A 23 21.005 -9.653 -5.002 1.00 1.88 C ATOM 350 OE1 GLU A 23 20.883 -10.054 -6.149 1.00 4.08 O ATOM 351 OE2 GLU A 23 20.187 -9.784 -4.110 1.00 1.29 O ATOM 0 H GLU A 23 23.912 -7.637 -6.926 1.00 0.59 H new ATOM 0 HA GLU A 23 20.949 -7.882 -6.698 1.00 0.56 H new ATOM 0 HB2 GLU A 23 23.251 -6.929 -4.954 1.00 0.53 H new ATOM 0 HB3 GLU A 23 21.574 -6.838 -4.453 1.00 0.53 H new ATOM 0 HG2 GLU A 23 23.121 -9.386 -5.239 1.00 0.50 H new ATOM 0 HG3 GLU A 23 22.525 -8.989 -3.640 1.00 0.50 H new ATOM 358 N MET A 24 22.479 -5.026 -7.041 1.00 0.53 N ATOM 359 CA MET A 24 22.300 -3.595 -7.462 1.00 0.53 C ATOM 360 C MET A 24 21.421 -3.635 -8.737 1.00 0.59 C ATOM 361 O MET A 24 20.410 -2.984 -8.841 1.00 0.72 O ATOM 362 CB MET A 24 23.697 -3.001 -7.762 1.00 0.38 C ATOM 363 CG MET A 24 24.546 -2.745 -6.508 1.00 0.51 C ATOM 364 SD MET A 24 26.095 -1.862 -6.832 1.00 2.47 S ATOM 365 CE MET A 24 25.590 -0.163 -6.461 1.00 0.89 C ATOM 0 H MET A 24 23.438 -5.283 -6.807 1.00 0.53 H new ATOM 0 HA MET A 24 21.828 -2.978 -6.697 1.00 0.53 H new ATOM 0 HB2 MET A 24 24.236 -3.681 -8.421 1.00 0.38 H new ATOM 0 HB3 MET A 24 23.574 -2.063 -8.303 1.00 0.38 H new ATOM 0 HG2 MET A 24 23.956 -2.171 -5.793 1.00 0.51 H new ATOM 0 HG3 MET A 24 24.776 -3.701 -6.037 1.00 0.51 H new ATOM 0 HE1 MET A 24 25.736 0.461 -7.343 1.00 0.89 H new ATOM 0 HE2 MET A 24 24.538 -0.150 -6.178 1.00 0.89 H new ATOM 0 HE3 MET A 24 26.192 0.224 -5.639 1.00 0.89 H new ATOM 375 N LEU A 25 21.888 -4.422 -9.668 1.00 0.50 N ATOM 376 CA LEU A 25 21.298 -4.706 -10.998 1.00 0.52 C ATOM 377 C LEU A 25 19.780 -4.943 -10.905 1.00 0.56 C ATOM 378 O LEU A 25 18.985 -4.263 -11.539 1.00 0.73 O ATOM 379 CB LEU A 25 22.097 -5.931 -11.520 1.00 0.43 C ATOM 380 CG LEU A 25 23.440 -5.546 -12.208 1.00 0.59 C ATOM 381 CD1 LEU A 25 24.170 -6.793 -12.708 1.00 0.83 C ATOM 382 CD2 LEU A 25 23.200 -4.683 -13.449 1.00 0.46 C ATOM 0 H LEU A 25 22.759 -4.934 -9.529 1.00 0.50 H new ATOM 0 HA LEU A 25 21.380 -3.869 -11.691 1.00 0.52 H new ATOM 0 HB2 LEU A 25 22.304 -6.602 -10.687 1.00 0.43 H new ATOM 0 HB3 LEU A 25 21.480 -6.483 -12.229 1.00 0.43 H new ATOM 0 HG LEU A 25 24.023 -5.009 -11.459 1.00 0.59 H new ATOM 0 HD11 LEU A 25 25.105 -6.500 -13.185 1.00 0.83 H new ATOM 0 HD12 LEU A 25 24.383 -7.452 -11.866 1.00 0.83 H new ATOM 0 HD13 LEU A 25 23.543 -7.317 -13.430 1.00 0.83 H new ATOM 0 HD21 LEU A 25 24.156 -4.431 -13.907 1.00 0.46 H new ATOM 0 HD22 LEU A 25 22.590 -5.235 -14.164 1.00 0.46 H new ATOM 0 HD23 LEU A 25 22.683 -3.768 -13.161 1.00 0.46 H new ATOM 394 N PHE A 26 19.406 -5.913 -10.103 1.00 0.49 N ATOM 395 CA PHE A 26 17.947 -6.218 -9.944 1.00 0.48 C ATOM 396 C PHE A 26 17.245 -4.953 -9.445 1.00 0.41 C ATOM 397 O PHE A 26 16.300 -4.498 -10.053 1.00 0.48 O ATOM 398 CB PHE A 26 17.776 -7.352 -8.928 1.00 0.48 C ATOM 399 CG PHE A 26 16.277 -7.713 -8.752 1.00 0.54 C ATOM 400 CD1 PHE A 26 15.372 -6.810 -8.217 1.00 2.35 C ATOM 401 CD2 PHE A 26 15.805 -8.955 -9.133 1.00 2.47 C ATOM 402 CE1 PHE A 26 14.045 -7.136 -8.070 1.00 2.37 C ATOM 403 CE2 PHE A 26 14.463 -9.284 -8.981 1.00 2.47 C ATOM 404 CZ PHE A 26 13.580 -8.368 -8.448 1.00 0.66 C ATOM 0 H PHE A 26 20.038 -6.500 -9.558 1.00 0.49 H new ATOM 0 HA PHE A 26 17.513 -6.530 -10.894 1.00 0.48 H new ATOM 0 HB2 PHE A 26 18.330 -8.230 -9.260 1.00 0.48 H new ATOM 0 HB3 PHE A 26 18.198 -7.053 -7.968 1.00 0.48 H new ATOM 0 HD1 PHE A 26 15.716 -5.833 -7.910 1.00 2.35 H new ATOM 0 HD2 PHE A 26 16.487 -9.679 -9.554 1.00 2.47 H new ATOM 0 HE1 PHE A 26 13.361 -6.413 -7.652 1.00 2.37 H new ATOM 0 HE2 PHE A 26 14.111 -10.260 -9.281 1.00 2.47 H new ATOM 0 HZ PHE A 26 12.536 -8.619 -8.330 1.00 0.66 H new ATOM 414 N ILE A 27 17.707 -4.408 -8.349 1.00 0.31 N ATOM 415 CA ILE A 27 17.051 -3.161 -7.822 1.00 0.27 C ATOM 416 C ILE A 27 17.008 -2.059 -8.896 1.00 0.32 C ATOM 417 O ILE A 27 15.986 -1.443 -9.073 1.00 0.56 O ATOM 418 CB ILE A 27 17.840 -2.769 -6.550 1.00 0.24 C ATOM 419 CG1 ILE A 27 17.259 -3.534 -5.337 1.00 0.24 C ATOM 420 CG2 ILE A 27 17.834 -1.278 -6.256 1.00 0.24 C ATOM 421 CD1 ILE A 27 15.772 -3.220 -5.044 1.00 0.27 C ATOM 0 H ILE A 27 18.493 -4.759 -7.802 1.00 0.31 H new ATOM 0 HA ILE A 27 16.004 -3.321 -7.564 1.00 0.27 H new ATOM 0 HB ILE A 27 18.880 -3.042 -6.732 1.00 0.24 H new ATOM 0 HG12 ILE A 27 17.365 -4.605 -5.512 1.00 0.24 H new ATOM 0 HG13 ILE A 27 17.851 -3.295 -4.453 1.00 0.24 H new ATOM 0 HG21 ILE A 27 18.408 -1.084 -5.350 1.00 0.24 H new ATOM 0 HG22 ILE A 27 18.282 -0.741 -7.092 1.00 0.24 H new ATOM 0 HG23 ILE A 27 16.808 -0.939 -6.116 1.00 0.24 H new ATOM 0 HD11 ILE A 27 15.442 -3.796 -4.180 1.00 0.27 H new ATOM 0 HD12 ILE A 27 15.659 -2.156 -4.835 1.00 0.27 H new ATOM 0 HD13 ILE A 27 15.166 -3.486 -5.910 1.00 0.27 H new ATOM 433 N TYR A 28 18.089 -1.819 -9.581 1.00 0.14 N ATOM 434 CA TYR A 28 18.125 -0.778 -10.655 1.00 0.14 C ATOM 435 C TYR A 28 17.026 -1.106 -11.678 1.00 0.21 C ATOM 436 O TYR A 28 16.130 -0.316 -11.865 1.00 0.24 O ATOM 437 CB TYR A 28 19.513 -0.826 -11.270 1.00 0.08 C ATOM 438 CG TYR A 28 19.640 0.119 -12.475 1.00 0.28 C ATOM 439 CD1 TYR A 28 19.252 -0.277 -13.744 1.00 2.76 C ATOM 440 CD2 TYR A 28 20.167 1.387 -12.309 1.00 1.97 C ATOM 441 CE1 TYR A 28 19.398 0.581 -14.814 1.00 3.03 C ATOM 442 CE2 TYR A 28 20.307 2.233 -13.391 1.00 1.68 C ATOM 443 CZ TYR A 28 19.925 1.828 -14.648 1.00 0.85 C ATOM 444 OH TYR A 28 20.087 2.654 -15.736 1.00 1.11 O ATOM 0 H TYR A 28 18.972 -2.310 -9.441 1.00 0.14 H new ATOM 0 HA TYR A 28 17.938 0.228 -10.278 1.00 0.14 H new ATOM 0 HB2 TYR A 28 20.253 -0.555 -10.517 1.00 0.08 H new ATOM 0 HB3 TYR A 28 19.736 -1.846 -11.584 1.00 0.08 H new ATOM 0 HD1 TYR A 28 18.834 -1.261 -13.896 1.00 2.76 H new ATOM 0 HD2 TYR A 28 20.471 1.717 -11.327 1.00 1.97 H new ATOM 0 HE1 TYR A 28 19.090 0.261 -15.798 1.00 3.03 H new ATOM 0 HE2 TYR A 28 20.720 3.221 -13.249 1.00 1.68 H new ATOM 0 HH TYR A 28 20.115 3.587 -15.437 1.00 1.11 H new ATOM 454 N SER A 29 17.106 -2.253 -12.299 1.00 0.27 N ATOM 455 CA SER A 29 16.069 -2.669 -13.318 1.00 0.32 C ATOM 456 C SER A 29 14.645 -2.516 -12.769 1.00 0.30 C ATOM 457 O SER A 29 13.836 -1.763 -13.270 1.00 0.25 O ATOM 458 CB SER A 29 16.326 -4.155 -13.721 1.00 0.39 C ATOM 459 OG SER A 29 16.320 -4.843 -12.471 1.00 0.43 O ATOM 0 H SER A 29 17.850 -2.934 -12.149 1.00 0.27 H new ATOM 0 HA SER A 29 16.157 -2.019 -14.189 1.00 0.32 H new ATOM 0 HB2 SER A 29 15.551 -4.530 -14.389 1.00 0.39 H new ATOM 0 HB3 SER A 29 17.278 -4.272 -14.239 1.00 0.39 H new ATOM 0 HG SER A 29 17.194 -4.743 -12.038 1.00 0.43 H new ATOM 465 N HIS A 30 14.409 -3.243 -11.721 1.00 0.37 N ATOM 466 CA HIS A 30 13.088 -3.241 -11.043 1.00 0.40 C ATOM 467 C HIS A 30 12.709 -1.823 -10.720 1.00 0.42 C ATOM 468 O HIS A 30 11.613 -1.427 -11.030 1.00 0.42 O ATOM 469 CB HIS A 30 13.245 -4.131 -9.845 1.00 0.30 C ATOM 470 CG HIS A 30 13.224 -5.508 -10.491 1.00 0.47 C ATOM 471 ND1 HIS A 30 14.157 -6.023 -11.219 1.00 2.53 N ATOM 472 CD2 HIS A 30 12.237 -6.459 -10.461 1.00 1.75 C ATOM 473 CE1 HIS A 30 13.783 -7.203 -11.614 1.00 2.11 C ATOM 474 NE2 HIS A 30 12.592 -7.512 -11.165 1.00 0.82 N ATOM 0 H HIS A 30 15.099 -3.859 -11.291 1.00 0.37 H new ATOM 0 HA HIS A 30 12.272 -3.625 -11.655 1.00 0.40 H new ATOM 0 HB2 HIS A 30 14.176 -3.942 -9.312 1.00 0.30 H new ATOM 0 HB3 HIS A 30 12.435 -4.001 -9.128 1.00 0.30 H new ATOM 0 HD1 HIS A 30 15.045 -5.576 -11.447 1.00 2.53 H new ATOM 0 HD2 HIS A 30 11.300 -6.358 -9.934 1.00 1.75 H new ATOM 0 HE1 HIS A 30 14.382 -7.851 -12.237 1.00 2.11 H new ATOM 482 N TYR A 31 13.565 -1.076 -10.110 1.00 0.43 N ATOM 483 CA TYR A 31 13.252 0.338 -9.793 1.00 0.43 C ATOM 484 C TYR A 31 12.902 1.099 -11.114 1.00 0.51 C ATOM 485 O TYR A 31 11.792 1.553 -11.303 1.00 0.74 O ATOM 486 CB TYR A 31 14.477 0.898 -9.128 1.00 0.49 C ATOM 487 CG TYR A 31 14.187 2.322 -8.743 1.00 0.53 C ATOM 488 CD1 TYR A 31 13.292 2.670 -7.756 1.00 0.41 C ATOM 489 CD2 TYR A 31 14.846 3.276 -9.441 1.00 0.76 C ATOM 490 CE1 TYR A 31 13.062 4.004 -7.483 1.00 0.50 C ATOM 491 CE2 TYR A 31 14.622 4.593 -9.180 1.00 0.88 C ATOM 492 CZ TYR A 31 13.735 4.966 -8.208 1.00 0.76 C ATOM 493 OH TYR A 31 13.546 6.311 -8.000 1.00 0.97 O ATOM 0 H TYR A 31 14.489 -1.387 -9.809 1.00 0.43 H new ATOM 0 HA TYR A 31 12.391 0.439 -9.133 1.00 0.43 H new ATOM 0 HB2 TYR A 31 14.735 0.310 -8.247 1.00 0.49 H new ATOM 0 HB3 TYR A 31 15.332 0.852 -9.803 1.00 0.49 H new ATOM 0 HD1 TYR A 31 12.773 1.904 -7.199 1.00 0.41 H new ATOM 0 HD2 TYR A 31 15.552 2.991 -10.207 1.00 0.76 H new ATOM 0 HE1 TYR A 31 12.363 4.291 -6.711 1.00 0.50 H new ATOM 0 HE2 TYR A 31 15.148 5.349 -9.744 1.00 0.88 H new ATOM 0 HH TYR A 31 14.116 6.820 -8.613 1.00 0.97 H new ATOM 503 N LYS A 32 13.884 1.203 -11.980 1.00 0.35 N ATOM 504 CA LYS A 32 13.739 1.899 -13.307 1.00 0.44 C ATOM 505 C LYS A 32 12.391 1.533 -13.949 1.00 0.44 C ATOM 506 O LYS A 32 11.679 2.403 -14.407 1.00 0.73 O ATOM 507 CB LYS A 32 14.911 1.464 -14.163 1.00 0.55 C ATOM 508 CG LYS A 32 16.286 1.959 -13.595 1.00 1.64 C ATOM 509 CD LYS A 32 16.782 3.321 -14.188 1.00 1.45 C ATOM 510 CE LYS A 32 16.232 4.585 -13.536 1.00 2.13 C ATOM 511 NZ LYS A 32 17.421 5.465 -13.296 1.00 2.35 N ATOM 0 H LYS A 32 14.815 0.820 -11.817 1.00 0.35 H new ATOM 0 HA LYS A 32 13.747 2.983 -13.196 1.00 0.44 H new ATOM 0 HB2 LYS A 32 14.921 0.376 -14.234 1.00 0.55 H new ATOM 0 HB3 LYS A 32 14.780 1.848 -15.175 1.00 0.55 H new ATOM 0 HG2 LYS A 32 16.203 2.057 -12.513 1.00 1.64 H new ATOM 0 HG3 LYS A 32 17.040 1.197 -13.789 1.00 1.64 H new ATOM 0 HD2 LYS A 32 17.870 3.347 -14.120 1.00 1.45 H new ATOM 0 HD3 LYS A 32 16.528 3.345 -15.248 1.00 1.45 H new ATOM 0 HE2 LYS A 32 15.506 5.076 -14.184 1.00 2.13 H new ATOM 0 HE3 LYS A 32 15.721 4.353 -12.602 1.00 2.13 H new ATOM 0 HZ1 LYS A 32 17.404 5.812 -12.316 1.00 2.35 H new ATOM 0 HZ2 LYS A 32 18.293 4.921 -13.456 1.00 2.35 H new ATOM 0 HZ3 LYS A 32 17.392 6.273 -13.950 1.00 2.35 H new ATOM 525 N GLN A 33 12.092 0.259 -13.979 1.00 0.29 N ATOM 526 CA GLN A 33 10.807 -0.204 -14.553 1.00 0.29 C ATOM 527 C GLN A 33 9.719 0.380 -13.620 1.00 0.22 C ATOM 528 O GLN A 33 8.931 1.210 -14.025 1.00 0.12 O ATOM 529 CB GLN A 33 10.833 -1.732 -14.546 1.00 0.35 C ATOM 530 CG GLN A 33 10.380 -2.206 -15.924 1.00 0.38 C ATOM 531 CD GLN A 33 8.935 -1.761 -16.257 1.00 0.37 C ATOM 532 OE1 GLN A 33 8.530 -1.535 -17.469 1.00 0.41 O flip ATOM 533 NE2 GLN A 33 8.121 -1.610 -15.371 1.00 0.38 N flip ATOM 0 H GLN A 33 12.695 -0.483 -13.624 1.00 0.29 H new ATOM 0 HA GLN A 33 10.620 0.115 -15.578 1.00 0.29 H new ATOM 0 HB2 GLN A 33 11.836 -2.097 -14.326 1.00 0.35 H new ATOM 0 HB3 GLN A 33 10.174 -2.123 -13.771 1.00 0.35 H new ATOM 0 HG2 GLN A 33 11.061 -1.816 -16.681 1.00 0.38 H new ATOM 0 HG3 GLN A 33 10.442 -3.293 -15.969 1.00 0.38 H new ATOM 0 HE21 GLN A 33 8.387 -1.775 -14.400 1.00 0.38 H new ATOM 0 HE22 GLN A 33 7.170 -1.319 -15.596 1.00 0.38 H new ATOM 542 N ALA A 34 9.706 -0.042 -12.380 1.00 0.26 N ATOM 543 CA ALA A 34 8.711 0.447 -11.368 1.00 0.23 C ATOM 544 C ALA A 34 8.510 1.988 -11.334 1.00 0.29 C ATOM 545 O ALA A 34 7.512 2.498 -10.869 1.00 0.33 O ATOM 546 CB ALA A 34 9.198 -0.095 -10.023 1.00 0.29 C ATOM 0 H ALA A 34 10.365 -0.728 -12.013 1.00 0.26 H new ATOM 0 HA ALA A 34 7.718 0.084 -11.633 1.00 0.23 H new ATOM 0 HB1 ALA A 34 8.517 0.224 -9.234 1.00 0.29 H new ATOM 0 HB2 ALA A 34 9.227 -1.184 -10.059 1.00 0.29 H new ATOM 0 HB3 ALA A 34 10.197 0.288 -9.817 1.00 0.29 H new ATOM 552 N THR A 35 9.453 2.715 -11.845 1.00 0.35 N ATOM 553 CA THR A 35 9.359 4.223 -11.857 1.00 0.44 C ATOM 554 C THR A 35 9.007 4.767 -13.231 1.00 0.29 C ATOM 555 O THR A 35 8.040 5.492 -13.359 1.00 0.38 O ATOM 556 CB THR A 35 10.694 4.831 -11.433 1.00 0.65 C ATOM 557 OG1 THR A 35 11.635 4.100 -12.195 1.00 0.75 O ATOM 558 CG2 THR A 35 11.067 4.442 -10.032 1.00 0.64 C ATOM 0 H THR A 35 10.303 2.339 -12.265 1.00 0.35 H new ATOM 0 HA THR A 35 8.566 4.495 -11.161 1.00 0.44 H new ATOM 0 HB THR A 35 10.658 5.915 -11.541 1.00 0.65 H new ATOM 0 HG1 THR A 35 11.790 3.228 -11.775 1.00 0.75 H new ATOM 0 HG21 THR A 35 12.023 4.896 -9.771 1.00 0.64 H new ATOM 0 HG22 THR A 35 10.299 4.790 -9.341 1.00 0.64 H new ATOM 0 HG23 THR A 35 11.150 3.357 -9.965 1.00 0.64 H new ATOM 566 N VAL A 36 9.776 4.415 -14.220 1.00 0.22 N ATOM 567 CA VAL A 36 9.495 4.910 -15.607 1.00 0.37 C ATOM 568 C VAL A 36 8.588 3.898 -16.361 1.00 0.45 C ATOM 569 O VAL A 36 7.500 4.197 -16.835 1.00 0.77 O ATOM 570 CB VAL A 36 10.905 5.117 -16.359 1.00 0.60 C ATOM 571 CG1 VAL A 36 10.621 5.803 -17.715 1.00 0.95 C ATOM 572 CG2 VAL A 36 11.843 6.020 -15.514 1.00 0.41 C ATOM 0 H VAL A 36 10.589 3.806 -14.135 1.00 0.22 H new ATOM 0 HA VAL A 36 8.962 5.860 -15.577 1.00 0.37 H new ATOM 0 HB VAL A 36 11.393 4.153 -16.503 1.00 0.60 H new ATOM 0 HG11 VAL A 36 11.559 5.957 -18.248 1.00 0.95 H new ATOM 0 HG12 VAL A 36 9.963 5.171 -18.312 1.00 0.95 H new ATOM 0 HG13 VAL A 36 10.140 6.766 -17.542 1.00 0.95 H new ATOM 0 HG21 VAL A 36 12.791 6.150 -16.036 1.00 0.41 H new ATOM 0 HG22 VAL A 36 11.375 6.993 -15.365 1.00 0.41 H new ATOM 0 HG23 VAL A 36 12.023 5.552 -14.546 1.00 0.41 H new ATOM 582 N GLY A 37 9.105 2.705 -16.364 1.00 0.26 N ATOM 583 CA GLY A 37 8.511 1.494 -17.022 1.00 0.15 C ATOM 584 C GLY A 37 9.552 1.134 -18.072 1.00 0.08 C ATOM 585 O GLY A 37 10.529 0.460 -17.788 1.00 0.15 O ATOM 0 H GLY A 37 9.989 2.501 -15.899 1.00 0.26 H new ATOM 0 HA2 GLY A 37 8.357 0.682 -16.311 1.00 0.15 H new ATOM 0 HA3 GLY A 37 7.542 1.712 -17.471 1.00 0.15 H new ATOM 589 N ASP A 38 9.297 1.599 -19.264 1.00 0.19 N ATOM 590 CA ASP A 38 10.234 1.342 -20.383 1.00 0.36 C ATOM 591 C ASP A 38 11.502 2.204 -20.289 1.00 0.38 C ATOM 592 O ASP A 38 11.594 3.245 -19.651 1.00 0.96 O ATOM 593 CB ASP A 38 9.511 1.652 -21.728 1.00 0.40 C ATOM 594 CG ASP A 38 8.087 1.124 -21.702 1.00 0.57 C ATOM 595 OD1 ASP A 38 7.270 1.797 -21.085 1.00 2.10 O ATOM 596 OD2 ASP A 38 7.934 0.077 -22.306 1.00 1.53 O ATOM 0 H ASP A 38 8.473 2.149 -19.508 1.00 0.19 H new ATOM 0 HA ASP A 38 10.537 0.296 -20.330 1.00 0.36 H new ATOM 0 HB2 ASP A 38 9.503 2.728 -21.903 1.00 0.40 H new ATOM 0 HB3 ASP A 38 10.058 1.198 -22.554 1.00 0.40 H new ATOM 601 N ILE A 39 12.456 1.682 -20.998 1.00 0.42 N ATOM 602 CA ILE A 39 13.788 2.324 -21.089 1.00 0.39 C ATOM 603 C ILE A 39 13.653 3.052 -22.441 1.00 1.00 C ATOM 604 O ILE A 39 13.211 2.471 -23.422 1.00 1.50 O ATOM 605 CB ILE A 39 14.818 1.161 -21.044 1.00 0.42 C ATOM 606 CG1 ILE A 39 16.264 1.702 -21.012 1.00 0.33 C ATOM 607 CG2 ILE A 39 14.629 0.253 -22.282 1.00 0.80 C ATOM 608 CD1 ILE A 39 17.168 0.534 -20.527 1.00 0.38 C ATOM 0 H ILE A 39 12.365 0.817 -21.530 1.00 0.42 H new ATOM 0 HA ILE A 39 14.107 3.022 -20.315 1.00 0.39 H new ATOM 0 HB ILE A 39 14.648 0.585 -20.134 1.00 0.42 H new ATOM 0 HG12 ILE A 39 16.571 2.044 -22.000 1.00 0.33 H new ATOM 0 HG13 ILE A 39 16.343 2.557 -20.340 1.00 0.33 H new ATOM 0 HG21 ILE A 39 15.352 -0.562 -22.249 1.00 0.80 H new ATOM 0 HG22 ILE A 39 13.619 -0.157 -22.281 1.00 0.80 H new ATOM 0 HG23 ILE A 39 14.783 0.838 -23.189 1.00 0.80 H new ATOM 0 HD11 ILE A 39 18.205 0.868 -20.488 1.00 0.38 H new ATOM 0 HD12 ILE A 39 16.851 0.217 -19.533 1.00 0.38 H new ATOM 0 HD13 ILE A 39 17.083 -0.304 -21.219 1.00 0.38 H new ATOM 620 N ASN A 40 14.013 4.306 -22.486 1.00 1.42 N ATOM 621 CA ASN A 40 13.901 5.082 -23.768 1.00 2.32 C ATOM 622 C ASN A 40 15.188 5.869 -24.101 1.00 2.71 C ATOM 623 O ASN A 40 15.186 6.836 -24.840 1.00 3.71 O ATOM 624 CB ASN A 40 12.653 5.981 -23.572 1.00 2.79 C ATOM 625 CG ASN A 40 12.789 6.760 -22.269 1.00 2.76 C ATOM 626 OD1 ASN A 40 13.215 7.890 -22.220 1.00 3.61 O ATOM 627 ND2 ASN A 40 12.440 6.203 -21.154 1.00 2.66 N ATOM 0 H ASN A 40 14.381 4.832 -21.693 1.00 1.42 H new ATOM 0 HA ASN A 40 13.784 4.432 -24.635 1.00 2.32 H new ATOM 0 HB2 ASN A 40 12.552 6.669 -24.411 1.00 2.79 H new ATOM 0 HB3 ASN A 40 11.751 5.370 -23.551 1.00 2.79 H new ATOM 0 HD21 ASN A 40 12.529 6.717 -20.277 1.00 2.66 H new ATOM 0 HD22 ASN A 40 12.076 5.250 -21.152 1.00 2.66 H new ATOM 634 N THR A 41 16.259 5.399 -23.515 1.00 1.89 N ATOM 635 CA THR A 41 17.615 6.023 -23.712 1.00 2.19 C ATOM 636 C THR A 41 18.488 5.076 -24.562 1.00 2.00 C ATOM 637 O THR A 41 17.984 4.095 -25.073 1.00 1.78 O ATOM 638 CB THR A 41 18.287 6.258 -22.316 1.00 2.20 C ATOM 639 OG1 THR A 41 18.639 4.963 -21.845 1.00 1.72 O ATOM 640 CG2 THR A 41 17.253 6.679 -21.226 1.00 2.41 C ATOM 0 H THR A 41 16.256 4.591 -22.893 1.00 1.89 H new ATOM 0 HA THR A 41 17.513 6.979 -24.225 1.00 2.19 H new ATOM 0 HB THR A 41 19.077 6.998 -22.446 1.00 2.20 H new ATOM 0 HG1 THR A 41 19.330 5.043 -21.155 1.00 1.72 H new ATOM 0 HG21 THR A 41 17.766 6.830 -20.276 1.00 2.41 H new ATOM 0 HG22 THR A 41 16.765 7.606 -21.526 1.00 2.41 H new ATOM 0 HG23 THR A 41 16.504 5.895 -21.113 1.00 2.41 H new ATOM 648 N GLU A 42 19.755 5.368 -24.713 1.00 2.19 N ATOM 649 CA GLU A 42 20.642 4.469 -25.528 1.00 2.12 C ATOM 650 C GLU A 42 21.730 3.732 -24.762 1.00 1.81 C ATOM 651 O GLU A 42 22.410 4.285 -23.920 1.00 2.23 O ATOM 652 CB GLU A 42 21.283 5.305 -26.625 1.00 2.92 C ATOM 653 CG GLU A 42 20.144 5.608 -27.580 1.00 5.83 C ATOM 654 CD GLU A 42 20.650 6.297 -28.846 1.00 6.96 C ATOM 655 OE1 GLU A 42 21.202 7.377 -28.707 1.00 6.30 O ATOM 656 OE2 GLU A 42 20.449 5.680 -29.879 1.00 8.45 O ATOM 0 H GLU A 42 20.216 6.184 -24.311 1.00 2.19 H new ATOM 0 HA GLU A 42 19.993 3.682 -25.913 1.00 2.12 H new ATOM 0 HB2 GLU A 42 21.720 6.220 -26.224 1.00 2.92 H new ATOM 0 HB3 GLU A 42 22.085 4.760 -27.123 1.00 2.92 H new ATOM 0 HG2 GLU A 42 19.634 4.682 -27.846 1.00 5.83 H new ATOM 0 HG3 GLU A 42 19.411 6.245 -27.085 1.00 5.83 H new ATOM 663 N ARG A 43 21.813 2.477 -25.114 1.00 1.74 N ATOM 664 CA ARG A 43 22.801 1.516 -24.522 1.00 1.39 C ATOM 665 C ARG A 43 24.146 2.155 -24.057 1.00 1.25 C ATOM 666 O ARG A 43 25.018 2.393 -24.869 1.00 1.02 O ATOM 667 CB ARG A 43 23.034 0.409 -25.571 1.00 1.13 C ATOM 668 CG ARG A 43 23.693 -0.780 -24.810 1.00 0.69 C ATOM 669 CD ARG A 43 23.185 -2.083 -25.402 1.00 0.87 C ATOM 670 NE ARG A 43 23.601 -3.193 -24.470 1.00 1.17 N ATOM 671 CZ ARG A 43 24.264 -4.226 -24.826 1.00 0.68 C ATOM 672 NH1 ARG A 43 25.131 -4.174 -25.749 1.00 0.98 N ATOM 673 NH2 ARG A 43 23.986 -5.289 -24.200 1.00 1.46 N ATOM 0 H ARG A 43 21.209 2.057 -25.821 1.00 1.74 H new ATOM 0 HA ARG A 43 22.379 1.120 -23.598 1.00 1.39 H new ATOM 0 HB2 ARG A 43 22.094 0.104 -26.030 1.00 1.13 H new ATOM 0 HB3 ARG A 43 23.681 0.763 -26.374 1.00 1.13 H new ATOM 0 HG2 ARG A 43 24.778 -0.726 -24.893 1.00 0.69 H new ATOM 0 HG3 ARG A 43 23.452 -0.729 -23.748 1.00 0.69 H new ATOM 0 HD2 ARG A 43 22.101 -2.059 -25.510 1.00 0.87 H new ATOM 0 HD3 ARG A 43 23.601 -2.241 -26.397 1.00 0.87 H new ATOM 0 HE ARG A 43 23.335 -3.114 -23.488 1.00 1.17 H new ATOM 0 HH11 ARG A 43 25.314 -3.292 -26.228 1.00 0.98 H new ATOM 0 HH12 ARG A 43 25.646 -5.014 -26.013 1.00 0.98 H new ATOM 0 HH21 ARG A 43 23.275 -5.279 -23.469 1.00 1.46 H new ATOM 0 HH22 ARG A 43 24.473 -6.156 -24.427 1.00 1.46 H new ATOM 687 N PRO A 44 24.257 2.421 -22.765 1.00 1.60 N ATOM 688 CA PRO A 44 25.464 3.035 -22.126 1.00 1.80 C ATOM 689 C PRO A 44 26.854 2.653 -22.672 1.00 1.72 C ATOM 690 O PRO A 44 27.076 1.557 -23.149 1.00 1.46 O ATOM 691 CB PRO A 44 25.260 2.680 -20.645 1.00 2.10 C ATOM 692 CG PRO A 44 23.727 2.879 -20.510 1.00 2.39 C ATOM 693 CD PRO A 44 23.199 2.147 -21.755 1.00 2.05 C ATOM 0 HA PRO A 44 25.509 4.102 -22.345 1.00 1.80 H new ATOM 0 HB2 PRO A 44 25.566 1.659 -20.418 1.00 2.10 H new ATOM 0 HB3 PRO A 44 25.823 3.336 -19.981 1.00 2.10 H new ATOM 0 HG2 PRO A 44 23.339 2.447 -19.588 1.00 2.39 H new ATOM 0 HG3 PRO A 44 23.451 3.933 -20.509 1.00 2.39 H new ATOM 0 HD2 PRO A 44 23.076 1.079 -21.576 1.00 2.05 H new ATOM 0 HD3 PRO A 44 22.229 2.531 -22.070 1.00 2.05 H new ATOM 701 N GLY A 45 27.777 3.574 -22.583 1.00 2.10 N ATOM 702 CA GLY A 45 29.166 3.297 -23.090 1.00 2.25 C ATOM 703 C GLY A 45 30.183 2.796 -22.055 1.00 2.37 C ATOM 704 O GLY A 45 29.893 2.609 -20.890 1.00 4.12 O ATOM 0 H GLY A 45 27.637 4.503 -22.185 1.00 2.10 H new ATOM 0 HA2 GLY A 45 29.097 2.557 -23.887 1.00 2.25 H new ATOM 0 HA3 GLY A 45 29.555 4.212 -23.537 1.00 2.25 H new ATOM 708 N MET A 46 31.349 2.595 -22.621 1.00 1.36 N ATOM 709 CA MET A 46 32.621 2.107 -21.984 1.00 1.46 C ATOM 710 C MET A 46 32.849 2.117 -20.447 1.00 1.44 C ATOM 711 O MET A 46 33.847 2.574 -19.931 1.00 2.44 O ATOM 712 CB MET A 46 33.768 2.882 -22.709 1.00 2.47 C ATOM 713 CG MET A 46 33.724 4.389 -22.407 1.00 1.26 C ATOM 714 SD MET A 46 34.974 5.387 -23.256 1.00 2.38 S ATOM 715 CE MET A 46 36.419 4.925 -22.265 1.00 4.52 C ATOM 0 H MET A 46 31.479 2.772 -23.617 1.00 1.36 H new ATOM 0 HA MET A 46 32.575 1.026 -22.117 1.00 1.46 H new ATOM 0 HB2 MET A 46 34.732 2.478 -22.398 1.00 2.47 H new ATOM 0 HB3 MET A 46 33.688 2.725 -23.785 1.00 2.47 H new ATOM 0 HG2 MET A 46 32.738 4.768 -22.675 1.00 1.26 H new ATOM 0 HG3 MET A 46 33.839 4.531 -21.332 1.00 1.26 H new ATOM 0 HE1 MET A 46 36.851 5.818 -21.813 1.00 4.52 H new ATOM 0 HE2 MET A 46 36.116 4.232 -21.480 1.00 4.52 H new ATOM 0 HE3 MET A 46 37.161 4.447 -22.904 1.00 4.52 H new ATOM 725 N LEU A 47 31.903 1.590 -19.742 1.00 1.18 N ATOM 726 CA LEU A 47 31.933 1.478 -18.246 1.00 1.74 C ATOM 727 C LEU A 47 31.023 0.218 -18.104 1.00 1.88 C ATOM 728 O LEU A 47 30.197 0.042 -17.225 1.00 3.77 O ATOM 729 CB LEU A 47 31.281 2.712 -17.612 1.00 2.41 C ATOM 730 CG LEU A 47 31.860 2.969 -16.204 1.00 2.22 C ATOM 731 CD1 LEU A 47 32.001 1.658 -15.404 1.00 2.64 C ATOM 732 CD2 LEU A 47 33.255 3.592 -16.345 1.00 1.59 C ATOM 0 H LEU A 47 31.054 1.206 -20.158 1.00 1.18 H new ATOM 0 HA LEU A 47 32.914 1.409 -17.776 1.00 1.74 H new ATOM 0 HB2 LEU A 47 31.448 3.584 -18.245 1.00 2.41 H new ATOM 0 HB3 LEU A 47 30.203 2.567 -17.547 1.00 2.41 H new ATOM 0 HG LEU A 47 31.178 3.635 -15.675 1.00 2.22 H new ATOM 0 HD11 LEU A 47 32.411 1.876 -14.418 1.00 2.64 H new ATOM 0 HD12 LEU A 47 31.022 1.191 -15.295 1.00 2.64 H new ATOM 0 HD13 LEU A 47 32.669 0.979 -15.933 1.00 2.64 H new ATOM 0 HD21 LEU A 47 33.672 3.777 -15.355 1.00 1.59 H new ATOM 0 HD22 LEU A 47 33.905 2.908 -16.891 1.00 1.59 H new ATOM 0 HD23 LEU A 47 33.180 4.533 -16.889 1.00 1.59 H new ATOM 744 N ASP A 48 31.276 -0.617 -19.079 1.00 0.62 N ATOM 745 CA ASP A 48 30.630 -1.915 -19.339 1.00 0.91 C ATOM 746 C ASP A 48 29.755 -2.513 -18.266 1.00 0.82 C ATOM 747 O ASP A 48 28.542 -2.436 -18.381 1.00 0.94 O ATOM 748 CB ASP A 48 31.817 -2.777 -19.767 1.00 1.65 C ATOM 749 CG ASP A 48 32.312 -2.133 -21.055 1.00 1.87 C ATOM 750 OD1 ASP A 48 31.568 -2.253 -22.012 1.00 1.22 O ATOM 751 OD2 ASP A 48 33.372 -1.549 -21.005 1.00 3.12 O ATOM 0 H ASP A 48 31.991 -0.408 -19.775 1.00 0.62 H new ATOM 0 HA ASP A 48 29.846 -1.817 -20.090 1.00 0.91 H new ATOM 0 HB2 ASP A 48 32.595 -2.787 -19.004 1.00 1.65 H new ATOM 0 HB3 ASP A 48 31.517 -3.812 -19.931 1.00 1.65 H new ATOM 756 N PHE A 49 30.390 -3.071 -17.273 1.00 0.75 N ATOM 757 CA PHE A 49 29.634 -3.703 -16.153 1.00 0.87 C ATOM 758 C PHE A 49 28.646 -2.766 -15.455 1.00 0.66 C ATOM 759 O PHE A 49 27.520 -3.133 -15.210 1.00 0.44 O ATOM 760 CB PHE A 49 30.659 -4.281 -15.112 1.00 1.19 C ATOM 761 CG PHE A 49 31.181 -3.200 -14.150 1.00 1.31 C ATOM 762 CD1 PHE A 49 32.101 -2.246 -14.545 1.00 2.57 C ATOM 763 CD2 PHE A 49 30.708 -3.180 -12.851 1.00 2.83 C ATOM 764 CE1 PHE A 49 32.537 -1.285 -13.651 1.00 2.77 C ATOM 765 CE2 PHE A 49 31.142 -2.225 -11.962 1.00 2.96 C ATOM 766 CZ PHE A 49 32.055 -1.277 -12.357 1.00 1.86 C ATOM 0 H PHE A 49 31.405 -3.117 -17.188 1.00 0.75 H new ATOM 0 HA PHE A 49 29.025 -4.495 -16.589 1.00 0.87 H new ATOM 0 HB2 PHE A 49 30.183 -5.076 -14.539 1.00 1.19 H new ATOM 0 HB3 PHE A 49 31.499 -4.730 -15.642 1.00 1.19 H new ATOM 0 HD1 PHE A 49 32.481 -2.251 -15.556 1.00 2.57 H new ATOM 0 HD2 PHE A 49 29.991 -3.922 -12.531 1.00 2.83 H new ATOM 0 HE1 PHE A 49 33.254 -0.541 -13.965 1.00 2.77 H new ATOM 0 HE2 PHE A 49 30.764 -2.220 -10.950 1.00 2.96 H new ATOM 0 HZ PHE A 49 32.395 -0.528 -11.657 1.00 1.86 H new ATOM 776 N LYS A 50 29.074 -1.572 -15.169 1.00 0.74 N ATOM 777 CA LYS A 50 28.171 -0.580 -14.463 1.00 0.68 C ATOM 778 C LYS A 50 27.335 0.264 -15.439 1.00 0.58 C ATOM 779 O LYS A 50 26.428 0.968 -15.046 1.00 0.87 O ATOM 780 CB LYS A 50 29.077 0.350 -13.547 1.00 0.95 C ATOM 781 CG LYS A 50 28.338 1.210 -12.429 1.00 1.09 C ATOM 782 CD LYS A 50 27.494 2.430 -12.997 1.00 2.65 C ATOM 783 CE LYS A 50 27.355 3.555 -11.941 1.00 4.59 C ATOM 784 NZ LYS A 50 26.645 4.736 -12.544 1.00 6.55 N ATOM 0 H LYS A 50 30.008 -1.225 -15.387 1.00 0.74 H new ATOM 0 HA LYS A 50 27.453 -1.134 -13.858 1.00 0.68 H new ATOM 0 HB2 LYS A 50 29.818 -0.280 -13.054 1.00 0.95 H new ATOM 0 HB3 LYS A 50 29.622 1.036 -14.196 1.00 0.95 H new ATOM 0 HG2 LYS A 50 27.674 0.556 -11.863 1.00 1.09 H new ATOM 0 HG3 LYS A 50 29.082 1.592 -11.730 1.00 1.09 H new ATOM 0 HD2 LYS A 50 27.977 2.825 -13.891 1.00 2.65 H new ATOM 0 HD3 LYS A 50 26.505 2.083 -13.295 1.00 2.65 H new ATOM 0 HE2 LYS A 50 26.801 3.189 -11.077 1.00 4.59 H new ATOM 0 HE3 LYS A 50 28.340 3.855 -11.584 1.00 4.59 H new ATOM 0 HZ1 LYS A 50 26.555 5.488 -11.831 1.00 6.55 H new ATOM 0 HZ2 LYS A 50 27.190 5.092 -13.355 1.00 6.55 H new ATOM 0 HZ3 LYS A 50 25.699 4.446 -12.863 1.00 6.55 H new ATOM 798 N GLY A 51 27.626 0.198 -16.700 1.00 0.67 N ATOM 799 CA GLY A 51 26.850 0.997 -17.714 1.00 0.70 C ATOM 800 C GLY A 51 25.762 0.216 -18.456 1.00 0.64 C ATOM 801 O GLY A 51 24.606 0.600 -18.404 1.00 0.68 O ATOM 0 H GLY A 51 28.373 -0.377 -17.089 1.00 0.67 H new ATOM 0 HA2 GLY A 51 26.388 1.845 -17.209 1.00 0.70 H new ATOM 0 HA3 GLY A 51 27.548 1.403 -18.446 1.00 0.70 H new ATOM 805 N LYS A 52 26.148 -0.850 -19.095 1.00 0.64 N ATOM 806 CA LYS A 52 25.182 -1.694 -19.873 1.00 0.55 C ATOM 807 C LYS A 52 24.478 -2.813 -19.089 1.00 0.37 C ATOM 808 O LYS A 52 23.286 -2.934 -19.190 1.00 0.21 O ATOM 809 CB LYS A 52 25.980 -2.271 -21.053 1.00 0.67 C ATOM 810 CG LYS A 52 26.447 -1.108 -21.968 1.00 0.95 C ATOM 811 CD LYS A 52 27.946 -1.264 -22.315 1.00 1.71 C ATOM 812 CE LYS A 52 28.230 -2.581 -23.037 1.00 1.18 C ATOM 813 NZ LYS A 52 29.646 -2.535 -23.506 1.00 1.52 N ATOM 0 H LYS A 52 27.111 -1.184 -19.115 1.00 0.64 H new ATOM 0 HA LYS A 52 24.352 -1.057 -20.180 1.00 0.55 H new ATOM 0 HB2 LYS A 52 26.841 -2.830 -20.687 1.00 0.67 H new ATOM 0 HB3 LYS A 52 25.363 -2.970 -21.618 1.00 0.67 H new ATOM 0 HG2 LYS A 52 25.855 -1.096 -22.883 1.00 0.95 H new ATOM 0 HG3 LYS A 52 26.280 -0.154 -21.468 1.00 0.95 H new ATOM 0 HD2 LYS A 52 28.262 -0.431 -22.942 1.00 1.71 H new ATOM 0 HD3 LYS A 52 28.537 -1.217 -21.400 1.00 1.71 H new ATOM 0 HE2 LYS A 52 28.074 -3.427 -22.368 1.00 1.18 H new ATOM 0 HE3 LYS A 52 27.551 -2.712 -23.879 1.00 1.18 H new ATOM 0 HZ1 LYS A 52 29.939 -3.482 -23.820 1.00 1.52 H new ATOM 0 HZ2 LYS A 52 29.728 -1.867 -24.299 1.00 1.52 H new ATOM 0 HZ3 LYS A 52 30.260 -2.223 -22.727 1.00 1.52 H new ATOM 827 N ALA A 53 25.207 -3.563 -18.319 1.00 0.43 N ATOM 828 CA ALA A 53 24.585 -4.679 -17.545 1.00 0.30 C ATOM 829 C ALA A 53 23.216 -4.276 -16.926 1.00 0.12 C ATOM 830 O ALA A 53 22.240 -4.988 -16.998 1.00 0.48 O ATOM 831 CB ALA A 53 25.554 -5.071 -16.465 1.00 0.43 C ATOM 0 H ALA A 53 26.213 -3.455 -18.188 1.00 0.43 H new ATOM 0 HA ALA A 53 24.382 -5.514 -18.215 1.00 0.30 H new ATOM 0 HB1 ALA A 53 25.133 -5.886 -15.877 1.00 0.43 H new ATOM 0 HB2 ALA A 53 26.491 -5.396 -16.917 1.00 0.43 H new ATOM 0 HB3 ALA A 53 25.742 -4.215 -15.817 1.00 0.43 H new ATOM 837 N LYS A 54 23.200 -3.103 -16.340 1.00 0.28 N ATOM 838 CA LYS A 54 21.969 -2.548 -15.682 1.00 0.37 C ATOM 839 C LYS A 54 20.893 -1.994 -16.654 1.00 0.43 C ATOM 840 O LYS A 54 19.736 -1.893 -16.310 1.00 0.71 O ATOM 841 CB LYS A 54 22.444 -1.430 -14.745 1.00 0.47 C ATOM 842 CG LYS A 54 22.615 -0.115 -15.585 1.00 1.03 C ATOM 843 CD LYS A 54 23.331 0.915 -14.749 1.00 1.23 C ATOM 844 CE LYS A 54 23.247 2.357 -15.357 1.00 1.80 C ATOM 845 NZ LYS A 54 23.343 2.359 -16.866 1.00 2.23 N ATOM 0 H LYS A 54 24.012 -2.488 -16.288 1.00 0.28 H new ATOM 0 HA LYS A 54 21.470 -3.367 -15.163 1.00 0.37 H new ATOM 0 HB2 LYS A 54 21.722 -1.276 -13.943 1.00 0.47 H new ATOM 0 HB3 LYS A 54 23.388 -1.705 -14.275 1.00 0.47 H new ATOM 0 HG2 LYS A 54 23.180 -0.320 -16.494 1.00 1.03 H new ATOM 0 HG3 LYS A 54 21.641 0.263 -15.894 1.00 1.03 H new ATOM 0 HD2 LYS A 54 22.904 0.923 -13.746 1.00 1.23 H new ATOM 0 HD3 LYS A 54 24.378 0.629 -14.647 1.00 1.23 H new ATOM 0 HE2 LYS A 54 22.307 2.820 -15.056 1.00 1.80 H new ATOM 0 HE3 LYS A 54 24.050 2.968 -14.945 1.00 1.80 H new ATOM 0 HZ1 LYS A 54 23.653 3.296 -17.193 1.00 2.23 H new ATOM 0 HZ2 LYS A 54 24.030 1.641 -17.171 1.00 2.23 H new ATOM 0 HZ3 LYS A 54 22.411 2.141 -17.273 1.00 2.23 H new ATOM 859 N TRP A 55 21.300 -1.692 -17.859 1.00 0.28 N ATOM 860 CA TRP A 55 20.431 -1.114 -18.942 1.00 0.27 C ATOM 861 C TRP A 55 19.817 -2.319 -19.649 1.00 0.25 C ATOM 862 O TRP A 55 18.676 -2.327 -20.056 1.00 0.48 O ATOM 863 CB TRP A 55 21.383 -0.335 -19.817 1.00 0.26 C ATOM 864 CG TRP A 55 20.701 0.671 -20.752 1.00 0.28 C ATOM 865 CD1 TRP A 55 20.402 1.982 -20.492 1.00 0.40 C ATOM 866 CD2 TRP A 55 20.306 0.375 -21.999 1.00 0.25 C ATOM 867 NE1 TRP A 55 19.842 2.394 -21.618 1.00 0.43 N ATOM 868 CE2 TRP A 55 19.740 1.496 -22.588 1.00 0.38 C ATOM 869 CE3 TRP A 55 20.396 -0.834 -22.690 1.00 0.22 C ATOM 870 CZ2 TRP A 55 19.260 1.411 -23.887 1.00 0.50 C ATOM 871 CZ3 TRP A 55 19.913 -0.912 -23.992 1.00 0.38 C ATOM 872 CH2 TRP A 55 19.343 0.211 -24.593 1.00 0.51 C ATOM 0 H TRP A 55 22.265 -1.832 -18.158 1.00 0.28 H new ATOM 0 HA TRP A 55 19.624 -0.456 -18.619 1.00 0.27 H new ATOM 0 HB2 TRP A 55 22.089 0.199 -19.181 1.00 0.26 H new ATOM 0 HB3 TRP A 55 21.963 -1.036 -20.417 1.00 0.26 H new ATOM 0 HD1 TRP A 55 20.580 2.544 -19.587 1.00 0.40 H new ATOM 0 HE1 TRP A 55 19.507 3.350 -21.733 1.00 0.43 H new ATOM 0 HE3 TRP A 55 20.836 -1.700 -22.219 1.00 0.22 H new ATOM 0 HZ2 TRP A 55 18.819 2.279 -24.354 1.00 0.50 H new ATOM 0 HZ3 TRP A 55 19.979 -1.842 -24.538 1.00 0.38 H new ATOM 0 HH2 TRP A 55 18.967 0.151 -25.604 1.00 0.51 H new ATOM 883 N ASP A 56 20.651 -3.306 -19.711 1.00 0.10 N ATOM 884 CA ASP A 56 20.378 -4.623 -20.320 1.00 0.30 C ATOM 885 C ASP A 56 19.301 -5.111 -19.316 1.00 0.24 C ATOM 886 O ASP A 56 18.139 -5.233 -19.650 1.00 0.23 O ATOM 887 CB ASP A 56 21.744 -5.323 -20.255 1.00 0.42 C ATOM 888 CG ASP A 56 22.551 -5.130 -21.499 1.00 0.73 C ATOM 889 OD1 ASP A 56 22.574 -4.077 -22.103 1.00 1.85 O ATOM 890 OD2 ASP A 56 23.170 -6.109 -21.835 1.00 1.70 O ATOM 0 H ASP A 56 21.594 -3.240 -19.328 1.00 0.10 H new ATOM 0 HA ASP A 56 20.025 -4.736 -21.345 1.00 0.30 H new ATOM 0 HB2 ASP A 56 22.303 -4.941 -19.401 1.00 0.42 H new ATOM 0 HB3 ASP A 56 21.594 -6.389 -20.086 1.00 0.42 H new ATOM 895 N ALA A 57 19.760 -5.342 -18.107 1.00 0.30 N ATOM 896 CA ALA A 57 18.931 -5.806 -16.935 1.00 0.30 C ATOM 897 C ALA A 57 17.523 -5.146 -16.874 1.00 0.33 C ATOM 898 O ALA A 57 16.570 -5.721 -16.397 1.00 0.38 O ATOM 899 CB ALA A 57 19.730 -5.498 -15.643 1.00 0.32 C ATOM 0 H ALA A 57 20.744 -5.219 -17.869 1.00 0.30 H new ATOM 0 HA ALA A 57 18.747 -6.875 -17.045 1.00 0.30 H new ATOM 0 HB1 ALA A 57 19.157 -5.822 -14.775 1.00 0.32 H new ATOM 0 HB2 ALA A 57 20.682 -6.029 -15.668 1.00 0.32 H new ATOM 0 HB3 ALA A 57 19.915 -4.426 -15.576 1.00 0.32 H new ATOM 905 N TRP A 58 17.437 -3.925 -17.343 1.00 0.32 N ATOM 906 CA TRP A 58 16.134 -3.164 -17.364 1.00 0.37 C ATOM 907 C TRP A 58 15.472 -3.244 -18.781 1.00 0.28 C ATOM 908 O TRP A 58 14.270 -3.321 -18.936 1.00 0.27 O ATOM 909 CB TRP A 58 16.410 -1.681 -16.952 1.00 0.44 C ATOM 910 CG TRP A 58 15.123 -0.834 -17.083 1.00 0.38 C ATOM 911 CD1 TRP A 58 13.836 -1.306 -17.027 1.00 0.45 C ATOM 912 CD2 TRP A 58 15.088 0.502 -17.307 1.00 0.34 C ATOM 913 NE1 TRP A 58 13.122 -0.217 -17.230 1.00 0.43 N ATOM 914 CE2 TRP A 58 13.769 0.909 -17.407 1.00 0.43 C ATOM 915 CE3 TRP A 58 16.099 1.453 -17.432 1.00 0.32 C ATOM 916 CZ2 TRP A 58 13.437 2.238 -17.638 1.00 0.58 C ATOM 917 CZ3 TRP A 58 15.765 2.799 -17.661 1.00 0.50 C ATOM 918 CH2 TRP A 58 14.443 3.194 -17.768 1.00 0.63 C ATOM 0 H TRP A 58 18.230 -3.407 -17.722 1.00 0.32 H new ATOM 0 HA TRP A 58 15.436 -3.608 -16.654 1.00 0.37 H new ATOM 0 HB2 TRP A 58 16.774 -1.644 -15.925 1.00 0.44 H new ATOM 0 HB3 TRP A 58 17.194 -1.262 -17.583 1.00 0.44 H new ATOM 0 HD1 TRP A 58 13.494 -2.316 -16.859 1.00 0.45 H new ATOM 0 HE1 TRP A 58 12.103 -0.249 -17.249 1.00 0.43 H new ATOM 0 HE3 TRP A 58 17.135 1.157 -17.353 1.00 0.32 H new ATOM 0 HZ2 TRP A 58 12.400 2.530 -17.717 1.00 0.58 H new ATOM 0 HZ3 TRP A 58 16.550 3.535 -17.755 1.00 0.50 H new ATOM 0 HH2 TRP A 58 14.194 4.229 -17.950 1.00 0.63 H new ATOM 929 N ASN A 59 16.250 -3.247 -19.827 1.00 0.24 N ATOM 930 CA ASN A 59 15.701 -3.315 -21.226 1.00 0.20 C ATOM 931 C ASN A 59 14.890 -4.613 -21.258 1.00 0.12 C ATOM 932 O ASN A 59 13.784 -4.677 -21.761 1.00 0.14 O ATOM 933 CB ASN A 59 16.876 -3.349 -22.242 1.00 0.19 C ATOM 934 CG ASN A 59 16.297 -3.280 -23.648 1.00 0.60 C ATOM 935 OD1 ASN A 59 15.484 -2.437 -23.948 1.00 0.92 O ATOM 936 ND2 ASN A 59 16.651 -4.114 -24.563 1.00 0.92 N ATOM 0 H ASN A 59 17.268 -3.204 -19.777 1.00 0.24 H new ATOM 0 HA ASN A 59 15.085 -2.456 -21.492 1.00 0.20 H new ATOM 0 HB2 ASN A 59 17.552 -2.512 -22.069 1.00 0.19 H new ATOM 0 HB3 ASN A 59 17.460 -4.261 -22.116 1.00 0.19 H new ATOM 0 HD21 ASN A 59 16.248 -4.047 -25.498 1.00 0.92 H new ATOM 0 HD22 ASN A 59 17.334 -4.842 -24.353 1.00 0.92 H new ATOM 943 N GLU A 60 15.517 -5.591 -20.677 1.00 0.19 N ATOM 944 CA GLU A 60 14.958 -6.966 -20.552 1.00 0.39 C ATOM 945 C GLU A 60 13.571 -6.986 -19.850 1.00 0.44 C ATOM 946 O GLU A 60 12.817 -7.929 -19.964 1.00 0.59 O ATOM 947 CB GLU A 60 16.028 -7.770 -19.787 1.00 0.66 C ATOM 948 CG GLU A 60 15.549 -9.235 -19.636 1.00 0.62 C ATOM 949 CD GLU A 60 16.640 -10.094 -19.010 1.00 1.68 C ATOM 950 OE1 GLU A 60 16.771 -9.983 -17.802 1.00 2.20 O ATOM 951 OE2 GLU A 60 17.270 -10.796 -19.781 1.00 2.66 O ATOM 0 H GLU A 60 16.443 -5.488 -20.262 1.00 0.19 H new ATOM 0 HA GLU A 60 14.758 -7.406 -21.529 1.00 0.39 H new ATOM 0 HB2 GLU A 60 16.977 -7.738 -20.323 1.00 0.66 H new ATOM 0 HB3 GLU A 60 16.201 -7.328 -18.806 1.00 0.66 H new ATOM 0 HG2 GLU A 60 14.652 -9.268 -19.017 1.00 0.62 H new ATOM 0 HG3 GLU A 60 15.277 -9.637 -20.612 1.00 0.62 H new ATOM 958 N LEU A 61 13.265 -5.926 -19.153 1.00 0.44 N ATOM 959 CA LEU A 61 11.960 -5.794 -18.411 1.00 0.66 C ATOM 960 C LEU A 61 11.153 -4.594 -18.950 1.00 0.69 C ATOM 961 O LEU A 61 10.047 -4.326 -18.516 1.00 1.05 O ATOM 962 CB LEU A 61 12.210 -5.539 -16.908 1.00 0.83 C ATOM 963 CG LEU A 61 13.333 -6.395 -16.315 1.00 0.88 C ATOM 964 CD1 LEU A 61 13.359 -6.079 -14.824 1.00 1.07 C ATOM 965 CD2 LEU A 61 13.009 -7.870 -16.500 1.00 0.92 C ATOM 0 H LEU A 61 13.879 -5.117 -19.059 1.00 0.44 H new ATOM 0 HA LEU A 61 11.411 -6.724 -18.554 1.00 0.66 H new ATOM 0 HB2 LEU A 61 12.453 -4.486 -16.763 1.00 0.83 H new ATOM 0 HB3 LEU A 61 11.289 -5.732 -16.358 1.00 0.83 H new ATOM 0 HG LEU A 61 14.288 -6.186 -16.797 1.00 0.88 H new ATOM 0 HD11 LEU A 61 14.144 -6.662 -14.342 1.00 1.07 H new ATOM 0 HD12 LEU A 61 13.556 -5.017 -14.681 1.00 1.07 H new ATOM 0 HD13 LEU A 61 12.396 -6.332 -14.382 1.00 1.07 H new ATOM 0 HD21 LEU A 61 13.811 -8.475 -16.076 1.00 0.92 H new ATOM 0 HD22 LEU A 61 12.072 -8.103 -15.993 1.00 0.92 H new ATOM 0 HD23 LEU A 61 12.911 -8.090 -17.563 1.00 0.92 H new ATOM 977 N LYS A 62 11.730 -3.913 -19.894 1.00 0.57 N ATOM 978 CA LYS A 62 11.132 -2.719 -20.536 1.00 0.70 C ATOM 979 C LYS A 62 9.643 -2.498 -20.550 1.00 0.93 C ATOM 980 O LYS A 62 9.195 -1.408 -20.279 1.00 1.59 O ATOM 981 CB LYS A 62 11.679 -2.696 -21.970 1.00 0.63 C ATOM 982 CG LYS A 62 11.092 -1.534 -22.835 1.00 0.74 C ATOM 983 CD LYS A 62 11.069 -2.024 -24.305 1.00 0.77 C ATOM 984 CE LYS A 62 12.445 -2.470 -24.772 1.00 3.32 C ATOM 985 NZ LYS A 62 13.330 -1.267 -24.780 1.00 4.60 N ATOM 0 H LYS A 62 12.648 -4.154 -20.266 1.00 0.57 H new ATOM 0 HA LYS A 62 11.425 -1.896 -19.884 1.00 0.70 H new ATOM 0 HB2 LYS A 62 12.764 -2.602 -21.936 1.00 0.63 H new ATOM 0 HB3 LYS A 62 11.456 -3.648 -22.452 1.00 0.63 H new ATOM 0 HG2 LYS A 62 10.088 -1.274 -22.500 1.00 0.74 H new ATOM 0 HG3 LYS A 62 11.702 -0.636 -22.738 1.00 0.74 H new ATOM 0 HD2 LYS A 62 10.366 -2.852 -24.401 1.00 0.77 H new ATOM 0 HD3 LYS A 62 10.708 -1.223 -24.950 1.00 0.77 H new ATOM 0 HE2 LYS A 62 12.845 -3.236 -24.108 1.00 3.32 H new ATOM 0 HE3 LYS A 62 12.388 -2.910 -25.768 1.00 3.32 H new ATOM 0 HZ1 LYS A 62 13.578 -1.025 -25.761 1.00 4.60 H new ATOM 0 HZ2 LYS A 62 12.832 -0.467 -24.341 1.00 4.60 H new ATOM 0 HZ3 LYS A 62 14.197 -1.471 -24.244 1.00 4.60 H new ATOM 999 N GLY A 63 8.913 -3.527 -20.811 1.00 0.47 N ATOM 1000 CA GLY A 63 7.420 -3.383 -20.886 1.00 0.66 C ATOM 1001 C GLY A 63 6.613 -4.013 -19.770 1.00 0.59 C ATOM 1002 O GLY A 63 5.634 -4.689 -20.013 1.00 0.45 O ATOM 0 H GLY A 63 9.269 -4.468 -20.978 1.00 0.47 H new ATOM 0 HA2 GLY A 63 7.183 -2.320 -20.917 1.00 0.66 H new ATOM 0 HA3 GLY A 63 7.085 -3.812 -21.830 1.00 0.66 H new ATOM 1006 N THR A 64 7.056 -3.779 -18.572 1.00 0.74 N ATOM 1007 CA THR A 64 6.333 -4.329 -17.374 1.00 0.82 C ATOM 1008 C THR A 64 5.447 -3.193 -16.853 1.00 0.73 C ATOM 1009 O THR A 64 5.642 -2.038 -17.192 1.00 0.51 O ATOM 1010 CB THR A 64 7.292 -4.704 -16.225 1.00 1.24 C ATOM 1011 OG1 THR A 64 8.298 -5.495 -16.816 1.00 1.22 O ATOM 1012 CG2 THR A 64 6.689 -5.744 -15.301 1.00 1.35 C ATOM 0 H THR A 64 7.889 -3.230 -18.359 1.00 0.74 H new ATOM 0 HA THR A 64 5.789 -5.225 -17.673 1.00 0.82 H new ATOM 0 HB THR A 64 7.573 -3.782 -15.716 1.00 1.24 H new ATOM 0 HG1 THR A 64 8.906 -4.922 -17.328 1.00 1.22 H new ATOM 0 HG21 THR A 64 7.397 -5.979 -14.506 1.00 1.35 H new ATOM 0 HG22 THR A 64 5.770 -5.353 -14.864 1.00 1.35 H new ATOM 0 HG23 THR A 64 6.466 -6.648 -15.867 1.00 1.35 H new ATOM 1020 N SER A 65 4.501 -3.524 -16.017 1.00 1.03 N ATOM 1021 CA SER A 65 3.615 -2.441 -15.472 1.00 1.17 C ATOM 1022 C SER A 65 4.372 -2.023 -14.213 1.00 1.00 C ATOM 1023 O SER A 65 4.611 -2.835 -13.341 1.00 1.12 O ATOM 1024 CB SER A 65 2.203 -2.949 -15.045 1.00 1.54 C ATOM 1025 OG SER A 65 1.439 -3.069 -16.247 1.00 3.69 O ATOM 0 H SER A 65 4.301 -4.470 -15.691 1.00 1.03 H new ATOM 0 HA SER A 65 3.433 -1.662 -16.212 1.00 1.17 H new ATOM 0 HB2 SER A 65 2.274 -3.908 -14.532 1.00 1.54 H new ATOM 0 HB3 SER A 65 1.732 -2.251 -14.353 1.00 1.54 H new ATOM 0 HG SER A 65 0.538 -3.389 -16.031 1.00 3.69 H new ATOM 1031 N LYS A 66 4.742 -0.768 -14.168 1.00 0.74 N ATOM 1032 CA LYS A 66 5.502 -0.173 -13.007 1.00 0.51 C ATOM 1033 C LYS A 66 5.310 -0.962 -11.705 1.00 0.46 C ATOM 1034 O LYS A 66 6.225 -1.348 -11.009 1.00 0.36 O ATOM 1035 CB LYS A 66 5.031 1.316 -12.923 1.00 0.60 C ATOM 1036 CG LYS A 66 5.530 2.033 -14.233 1.00 0.57 C ATOM 1037 CD LYS A 66 5.062 3.516 -14.275 1.00 0.62 C ATOM 1038 CE LYS A 66 4.248 3.827 -15.548 1.00 1.54 C ATOM 1039 NZ LYS A 66 5.079 3.460 -16.732 1.00 0.71 N ATOM 0 H LYS A 66 4.544 -0.101 -14.914 1.00 0.74 H new ATOM 0 HA LYS A 66 6.580 -0.224 -13.161 1.00 0.51 H new ATOM 0 HB2 LYS A 66 3.945 1.373 -12.842 1.00 0.60 H new ATOM 0 HB3 LYS A 66 5.442 1.801 -12.038 1.00 0.60 H new ATOM 0 HG2 LYS A 66 6.618 1.991 -14.282 1.00 0.57 H new ATOM 0 HG3 LYS A 66 5.151 1.504 -15.107 1.00 0.57 H new ATOM 0 HD2 LYS A 66 4.455 3.730 -13.395 1.00 0.62 H new ATOM 0 HD3 LYS A 66 5.931 4.172 -14.231 1.00 0.62 H new ATOM 0 HE2 LYS A 66 3.314 3.265 -15.549 1.00 1.54 H new ATOM 0 HE3 LYS A 66 3.983 4.884 -15.582 1.00 1.54 H new ATOM 0 HZ1 LYS A 66 4.833 4.076 -17.533 1.00 0.71 H new ATOM 0 HZ2 LYS A 66 6.086 3.579 -16.500 1.00 0.71 H new ATOM 0 HZ3 LYS A 66 4.898 2.469 -16.989 1.00 0.71 H new ATOM 1053 N GLU A 67 4.058 -1.141 -11.436 1.00 0.62 N ATOM 1054 CA GLU A 67 3.490 -1.878 -10.275 1.00 0.60 C ATOM 1055 C GLU A 67 4.193 -3.232 -9.950 1.00 0.53 C ATOM 1056 O GLU A 67 4.696 -3.480 -8.871 1.00 0.41 O ATOM 1057 CB GLU A 67 2.013 -2.049 -10.645 1.00 0.71 C ATOM 1058 CG GLU A 67 1.317 -0.669 -11.005 1.00 1.20 C ATOM 1059 CD GLU A 67 1.542 0.416 -9.955 1.00 3.00 C ATOM 1060 OE1 GLU A 67 1.102 0.259 -8.832 1.00 2.57 O ATOM 1061 OE2 GLU A 67 2.167 1.397 -10.319 1.00 5.29 O ATOM 0 H GLU A 67 3.328 -0.764 -12.041 1.00 0.62 H new ATOM 0 HA GLU A 67 3.640 -1.326 -9.347 1.00 0.60 H new ATOM 0 HB2 GLU A 67 1.930 -2.727 -11.494 1.00 0.71 H new ATOM 0 HB3 GLU A 67 1.484 -2.514 -9.813 1.00 0.71 H new ATOM 0 HG2 GLU A 67 1.696 -0.319 -11.965 1.00 1.20 H new ATOM 0 HG3 GLU A 67 0.246 -0.831 -11.125 1.00 1.20 H new ATOM 1068 N ASP A 68 4.217 -4.104 -10.912 1.00 0.61 N ATOM 1069 CA ASP A 68 4.847 -5.454 -10.801 1.00 0.58 C ATOM 1070 C ASP A 68 6.307 -5.318 -10.398 1.00 0.41 C ATOM 1071 O ASP A 68 6.842 -6.004 -9.540 1.00 0.40 O ATOM 1072 CB ASP A 68 4.681 -6.064 -12.176 1.00 0.94 C ATOM 1073 CG ASP A 68 3.231 -6.413 -12.447 1.00 1.47 C ATOM 1074 OD1 ASP A 68 2.515 -5.512 -12.847 1.00 1.77 O ATOM 1075 OD2 ASP A 68 2.939 -7.567 -12.219 1.00 1.79 O ATOM 0 H ASP A 68 3.801 -3.927 -11.826 1.00 0.61 H new ATOM 0 HA ASP A 68 4.390 -6.082 -10.036 1.00 0.58 H new ATOM 0 HB2 ASP A 68 5.038 -5.365 -12.933 1.00 0.94 H new ATOM 0 HB3 ASP A 68 5.295 -6.961 -12.256 1.00 0.94 H new ATOM 1080 N ALA A 69 6.875 -4.362 -11.082 1.00 0.39 N ATOM 1081 CA ALA A 69 8.310 -4.051 -10.857 1.00 0.22 C ATOM 1082 C ALA A 69 8.355 -3.598 -9.397 1.00 0.22 C ATOM 1083 O ALA A 69 9.279 -3.964 -8.709 1.00 0.20 O ATOM 1084 CB ALA A 69 8.744 -2.952 -11.838 1.00 0.17 C ATOM 0 H ALA A 69 6.408 -3.787 -11.783 1.00 0.39 H new ATOM 0 HA ALA A 69 8.990 -4.885 -11.028 1.00 0.22 H new ATOM 0 HB1 ALA A 69 9.797 -2.718 -11.679 1.00 0.17 H new ATOM 0 HB2 ALA A 69 8.600 -3.300 -12.861 1.00 0.17 H new ATOM 0 HB3 ALA A 69 8.144 -2.057 -11.671 1.00 0.17 H new ATOM 1090 N MET A 70 7.392 -2.826 -8.948 1.00 0.29 N ATOM 1091 CA MET A 70 7.412 -2.392 -7.521 1.00 0.25 C ATOM 1092 C MET A 70 7.425 -3.648 -6.667 1.00 0.26 C ATOM 1093 O MET A 70 8.360 -3.783 -5.918 1.00 0.21 O ATOM 1094 CB MET A 70 6.150 -1.552 -7.142 1.00 0.34 C ATOM 1095 CG MET A 70 6.114 -0.278 -7.956 1.00 0.28 C ATOM 1096 SD MET A 70 4.851 0.950 -7.563 1.00 0.90 S ATOM 1097 CE MET A 70 5.150 1.997 -9.010 1.00 0.47 C ATOM 0 H MET A 70 6.606 -2.484 -9.501 1.00 0.29 H new ATOM 0 HA MET A 70 8.289 -1.766 -7.357 1.00 0.25 H new ATOM 0 HB2 MET A 70 5.247 -2.135 -7.323 1.00 0.34 H new ATOM 0 HB3 MET A 70 6.167 -1.314 -6.079 1.00 0.34 H new ATOM 0 HG2 MET A 70 7.087 0.204 -7.863 1.00 0.28 H new ATOM 0 HG3 MET A 70 5.994 -0.555 -9.003 1.00 0.28 H new ATOM 0 HE1 MET A 70 4.199 2.249 -9.479 1.00 0.47 H new ATOM 0 HE2 MET A 70 5.655 2.912 -8.699 1.00 0.47 H new ATOM 0 HE3 MET A 70 5.776 1.461 -9.724 1.00 0.47 H new ATOM 1107 N LYS A 71 6.442 -4.509 -6.781 1.00 0.32 N ATOM 1108 CA LYS A 71 6.432 -5.762 -5.955 1.00 0.34 C ATOM 1109 C LYS A 71 7.867 -6.377 -5.933 1.00 0.33 C ATOM 1110 O LYS A 71 8.535 -6.355 -4.921 1.00 0.43 O ATOM 1111 CB LYS A 71 5.364 -6.736 -6.586 1.00 0.50 C ATOM 1112 CG LYS A 71 3.924 -6.122 -6.454 1.00 0.78 C ATOM 1113 CD LYS A 71 3.068 -6.749 -5.295 1.00 2.16 C ATOM 1114 CE LYS A 71 2.595 -8.180 -5.645 1.00 3.20 C ATOM 1115 NZ LYS A 71 1.519 -8.587 -4.671 1.00 5.52 N ATOM 0 H LYS A 71 5.646 -4.400 -7.409 1.00 0.32 H new ATOM 0 HA LYS A 71 6.157 -5.567 -4.919 1.00 0.34 H new ATOM 0 HB2 LYS A 71 5.597 -6.912 -7.636 1.00 0.50 H new ATOM 0 HB3 LYS A 71 5.402 -7.703 -6.085 1.00 0.50 H new ATOM 0 HG2 LYS A 71 4.011 -5.048 -6.288 1.00 0.78 H new ATOM 0 HG3 LYS A 71 3.394 -6.257 -7.397 1.00 0.78 H new ATOM 0 HD2 LYS A 71 3.658 -6.774 -4.379 1.00 2.16 H new ATOM 0 HD3 LYS A 71 2.202 -6.117 -5.099 1.00 2.16 H new ATOM 0 HE2 LYS A 71 2.213 -8.212 -6.665 1.00 3.20 H new ATOM 0 HE3 LYS A 71 3.432 -8.877 -5.596 1.00 3.20 H new ATOM 0 HZ1 LYS A 71 1.192 -9.548 -4.896 1.00 5.52 H new ATOM 0 HZ2 LYS A 71 1.901 -8.569 -3.704 1.00 5.52 H new ATOM 0 HZ3 LYS A 71 0.720 -7.925 -4.740 1.00 5.52 H new ATOM 1129 N ALA A 72 8.315 -6.891 -7.045 1.00 0.27 N ATOM 1130 CA ALA A 72 9.677 -7.496 -7.111 1.00 0.33 C ATOM 1131 C ALA A 72 10.772 -6.496 -6.623 1.00 0.25 C ATOM 1132 O ALA A 72 11.730 -6.892 -5.996 1.00 0.26 O ATOM 1133 CB ALA A 72 9.785 -7.941 -8.579 1.00 0.48 C ATOM 0 H ALA A 72 7.791 -6.918 -7.920 1.00 0.27 H new ATOM 0 HA ALA A 72 9.835 -8.342 -6.442 1.00 0.33 H new ATOM 0 HB1 ALA A 72 10.756 -8.406 -8.748 1.00 0.48 H new ATOM 0 HB2 ALA A 72 8.996 -8.659 -8.800 1.00 0.48 H new ATOM 0 HB3 ALA A 72 9.679 -7.074 -9.231 1.00 0.48 H new ATOM 1139 N TYR A 73 10.641 -5.232 -6.897 1.00 0.19 N ATOM 1140 CA TYR A 73 11.664 -4.245 -6.441 1.00 0.15 C ATOM 1141 C TYR A 73 11.743 -4.296 -4.918 1.00 0.13 C ATOM 1142 O TYR A 73 12.773 -4.556 -4.338 1.00 0.16 O ATOM 1143 CB TYR A 73 11.220 -2.869 -6.916 1.00 0.16 C ATOM 1144 CG TYR A 73 12.093 -1.787 -6.323 1.00 0.15 C ATOM 1145 CD1 TYR A 73 13.352 -1.624 -6.816 1.00 0.12 C ATOM 1146 CD2 TYR A 73 11.638 -0.957 -5.316 1.00 0.20 C ATOM 1147 CE1 TYR A 73 14.140 -0.640 -6.310 1.00 0.12 C ATOM 1148 CE2 TYR A 73 12.446 0.037 -4.815 1.00 0.17 C ATOM 1149 CZ TYR A 73 13.706 0.192 -5.323 1.00 0.13 C ATOM 1150 OH TYR A 73 14.549 1.179 -4.881 1.00 0.15 O ATOM 0 H TYR A 73 9.863 -4.833 -7.422 1.00 0.19 H new ATOM 0 HA TYR A 73 12.651 -4.468 -6.847 1.00 0.15 H new ATOM 0 HB2 TYR A 73 11.265 -2.823 -8.004 1.00 0.16 H new ATOM 0 HB3 TYR A 73 10.181 -2.700 -6.633 1.00 0.16 H new ATOM 0 HD1 TYR A 73 13.720 -2.269 -7.600 1.00 0.12 H new ATOM 0 HD2 TYR A 73 10.642 -1.090 -4.920 1.00 0.20 H new ATOM 0 HE1 TYR A 73 15.139 -0.514 -6.701 1.00 0.12 H new ATOM 0 HE2 TYR A 73 12.090 0.687 -4.030 1.00 0.17 H new ATOM 0 HH TYR A 73 15.248 1.336 -5.550 1.00 0.15 H new ATOM 1160 N ILE A 74 10.605 -4.058 -4.341 1.00 0.12 N ATOM 1161 CA ILE A 74 10.386 -4.038 -2.860 1.00 0.14 C ATOM 1162 C ILE A 74 10.832 -5.360 -2.242 1.00 0.19 C ATOM 1163 O ILE A 74 11.583 -5.382 -1.289 1.00 0.27 O ATOM 1164 CB ILE A 74 8.883 -3.793 -2.602 1.00 0.27 C ATOM 1165 CG1 ILE A 74 8.466 -2.430 -3.178 1.00 0.33 C ATOM 1166 CG2 ILE A 74 8.639 -3.758 -1.067 1.00 0.37 C ATOM 1167 CD1 ILE A 74 6.930 -2.328 -3.162 1.00 0.57 C ATOM 0 H ILE A 74 9.756 -3.862 -4.871 1.00 0.12 H new ATOM 0 HA ILE A 74 10.975 -3.244 -2.401 1.00 0.14 H new ATOM 0 HB ILE A 74 8.306 -4.588 -3.074 1.00 0.27 H new ATOM 0 HG12 ILE A 74 8.903 -1.623 -2.590 1.00 0.33 H new ATOM 0 HG13 ILE A 74 8.840 -2.321 -4.196 1.00 0.33 H new ATOM 0 HG21 ILE A 74 7.581 -3.586 -0.871 1.00 0.37 H new ATOM 0 HG22 ILE A 74 8.939 -4.710 -0.629 1.00 0.37 H new ATOM 0 HG23 ILE A 74 9.226 -2.954 -0.624 1.00 0.37 H new ATOM 0 HD11 ILE A 74 6.625 -1.364 -3.569 1.00 0.57 H new ATOM 0 HD12 ILE A 74 6.506 -3.128 -3.768 1.00 0.57 H new ATOM 0 HD13 ILE A 74 6.570 -2.419 -2.137 1.00 0.57 H new ATOM 1179 N ASP A 75 10.379 -6.430 -2.825 1.00 0.23 N ATOM 1180 CA ASP A 75 10.737 -7.784 -2.317 1.00 0.32 C ATOM 1181 C ASP A 75 12.243 -8.027 -2.454 1.00 0.38 C ATOM 1182 O ASP A 75 12.839 -8.814 -1.740 1.00 0.60 O ATOM 1183 CB ASP A 75 9.850 -8.710 -3.130 1.00 0.48 C ATOM 1184 CG ASP A 75 8.506 -8.841 -2.416 1.00 0.52 C ATOM 1185 OD1 ASP A 75 7.872 -7.805 -2.310 1.00 0.51 O ATOM 1186 OD2 ASP A 75 8.198 -9.954 -2.027 1.00 0.66 O ATOM 0 H ASP A 75 9.768 -6.427 -3.642 1.00 0.23 H new ATOM 0 HA ASP A 75 10.562 -7.939 -1.252 1.00 0.32 H new ATOM 0 HB2 ASP A 75 9.708 -8.313 -4.135 1.00 0.48 H new ATOM 0 HB3 ASP A 75 10.320 -9.688 -3.237 1.00 0.48 H new ATOM 1191 N LYS A 76 12.833 -7.304 -3.371 1.00 0.25 N ATOM 1192 CA LYS A 76 14.290 -7.470 -3.571 1.00 0.35 C ATOM 1193 C LYS A 76 14.891 -6.571 -2.489 1.00 0.34 C ATOM 1194 O LYS A 76 15.817 -6.988 -1.832 1.00 0.34 O ATOM 1195 CB LYS A 76 14.697 -6.997 -4.970 1.00 0.34 C ATOM 1196 CG LYS A 76 16.148 -7.474 -5.193 1.00 0.60 C ATOM 1197 CD LYS A 76 16.110 -9.011 -5.515 1.00 1.00 C ATOM 1198 CE LYS A 76 17.448 -9.660 -5.209 1.00 1.78 C ATOM 1199 NZ LYS A 76 18.479 -9.142 -6.157 1.00 2.36 N ATOM 0 H LYS A 76 12.375 -6.622 -3.975 1.00 0.25 H new ATOM 0 HA LYS A 76 14.624 -8.505 -3.498 1.00 0.35 H new ATOM 0 HB2 LYS A 76 14.032 -7.412 -5.728 1.00 0.34 H new ATOM 0 HB3 LYS A 76 14.630 -5.912 -5.047 1.00 0.34 H new ATOM 0 HG2 LYS A 76 16.608 -6.924 -6.014 1.00 0.60 H new ATOM 0 HG3 LYS A 76 16.752 -7.285 -4.305 1.00 0.60 H new ATOM 0 HD2 LYS A 76 15.326 -9.490 -4.929 1.00 1.00 H new ATOM 0 HD3 LYS A 76 15.860 -9.161 -6.565 1.00 1.00 H new ATOM 0 HE2 LYS A 76 17.742 -9.445 -4.182 1.00 1.78 H new ATOM 0 HE3 LYS A 76 17.368 -10.743 -5.298 1.00 1.78 H new ATOM 0 HZ1 LYS A 76 19.236 -9.847 -6.266 1.00 2.36 H new ATOM 0 HZ2 LYS A 76 18.040 -8.960 -7.082 1.00 2.36 H new ATOM 0 HZ3 LYS A 76 18.880 -8.258 -5.784 1.00 2.36 H new ATOM 1213 N VAL A 77 14.395 -5.365 -2.316 1.00 0.31 N ATOM 1214 CA VAL A 77 14.942 -4.451 -1.238 1.00 0.32 C ATOM 1215 C VAL A 77 14.948 -5.371 -0.010 1.00 0.37 C ATOM 1216 O VAL A 77 15.954 -5.492 0.663 1.00 0.38 O ATOM 1217 CB VAL A 77 14.005 -3.224 -1.036 1.00 0.24 C ATOM 1218 CG1 VAL A 77 14.579 -2.352 0.113 1.00 0.27 C ATOM 1219 CG2 VAL A 77 14.052 -2.361 -2.315 1.00 0.17 C ATOM 0 H VAL A 77 13.636 -4.968 -2.870 1.00 0.31 H new ATOM 0 HA VAL A 77 15.921 -4.028 -1.461 1.00 0.32 H new ATOM 0 HB VAL A 77 12.992 -3.560 -0.815 1.00 0.24 H new ATOM 0 HG11 VAL A 77 13.935 -1.486 0.269 1.00 0.27 H new ATOM 0 HG12 VAL A 77 14.624 -2.941 1.029 1.00 0.27 H new ATOM 0 HG13 VAL A 77 15.581 -2.015 -0.152 1.00 0.27 H new ATOM 0 HG21 VAL A 77 13.401 -1.495 -2.194 1.00 0.17 H new ATOM 0 HG22 VAL A 77 15.074 -2.025 -2.490 1.00 0.17 H new ATOM 0 HG23 VAL A 77 13.714 -2.953 -3.166 1.00 0.17 H new ATOM 1229 N GLU A 78 13.820 -5.995 0.250 1.00 0.43 N ATOM 1230 CA GLU A 78 13.677 -6.946 1.385 1.00 0.49 C ATOM 1231 C GLU A 78 14.883 -7.927 1.266 1.00 0.50 C ATOM 1232 O GLU A 78 15.675 -8.051 2.176 1.00 0.55 O ATOM 1233 CB GLU A 78 12.303 -7.611 1.195 1.00 0.63 C ATOM 1234 CG GLU A 78 11.189 -6.832 1.968 1.00 0.80 C ATOM 1235 CD GLU A 78 11.519 -6.697 3.452 1.00 2.39 C ATOM 1236 OE1 GLU A 78 11.693 -7.718 4.096 1.00 4.67 O ATOM 1237 OE2 GLU A 78 11.586 -5.551 3.860 1.00 1.64 O ATOM 0 H GLU A 78 12.970 -5.875 -0.301 1.00 0.43 H new ATOM 0 HA GLU A 78 13.701 -6.508 2.383 1.00 0.49 H new ATOM 0 HB2 GLU A 78 12.056 -7.647 0.134 1.00 0.63 H new ATOM 0 HB3 GLU A 78 12.342 -8.641 1.548 1.00 0.63 H new ATOM 0 HG2 GLU A 78 11.068 -5.841 1.531 1.00 0.80 H new ATOM 0 HG3 GLU A 78 10.237 -7.350 1.853 1.00 0.80 H new ATOM 1244 N GLU A 79 15.030 -8.644 0.180 1.00 0.50 N ATOM 1245 CA GLU A 79 16.227 -9.563 0.087 1.00 0.52 C ATOM 1246 C GLU A 79 17.591 -8.921 0.423 1.00 0.55 C ATOM 1247 O GLU A 79 18.383 -9.471 1.166 1.00 0.68 O ATOM 1248 CB GLU A 79 16.344 -10.148 -1.337 1.00 0.52 C ATOM 1249 CG GLU A 79 15.665 -11.514 -1.321 1.00 0.81 C ATOM 1250 CD GLU A 79 16.296 -12.420 -0.255 1.00 1.34 C ATOM 1251 OE1 GLU A 79 17.510 -12.551 -0.223 1.00 1.76 O ATOM 1252 OE2 GLU A 79 15.504 -12.944 0.504 1.00 1.75 O ATOM 0 H GLU A 79 14.403 -8.642 -0.624 1.00 0.50 H new ATOM 0 HA GLU A 79 16.030 -10.322 0.844 1.00 0.52 H new ATOM 0 HB2 GLU A 79 15.867 -9.490 -2.064 1.00 0.52 H new ATOM 0 HB3 GLU A 79 17.390 -10.242 -1.630 1.00 0.52 H new ATOM 0 HG2 GLU A 79 14.600 -11.394 -1.120 1.00 0.81 H new ATOM 0 HG3 GLU A 79 15.754 -11.981 -2.302 1.00 0.81 H new ATOM 1259 N LEU A 80 17.841 -7.765 -0.127 1.00 0.41 N ATOM 1260 CA LEU A 80 19.132 -7.044 0.116 1.00 0.41 C ATOM 1261 C LEU A 80 19.266 -6.782 1.601 1.00 0.38 C ATOM 1262 O LEU A 80 20.285 -7.070 2.196 1.00 0.37 O ATOM 1263 CB LEU A 80 19.123 -5.719 -0.660 1.00 0.47 C ATOM 1264 CG LEU A 80 18.936 -5.940 -2.154 1.00 0.35 C ATOM 1265 CD1 LEU A 80 19.203 -4.594 -2.788 1.00 0.61 C ATOM 1266 CD2 LEU A 80 19.960 -6.908 -2.704 1.00 1.19 C ATOM 0 H LEU A 80 17.195 -7.277 -0.747 1.00 0.41 H new ATOM 0 HA LEU A 80 19.976 -7.645 -0.223 1.00 0.41 H new ATOM 0 HB2 LEU A 80 18.322 -5.083 -0.284 1.00 0.47 H new ATOM 0 HB3 LEU A 80 20.059 -5.189 -0.485 1.00 0.47 H new ATOM 0 HG LEU A 80 17.943 -6.342 -2.356 1.00 0.35 H new ATOM 0 HD11 LEU A 80 19.087 -4.672 -3.869 1.00 0.61 H new ATOM 0 HD12 LEU A 80 18.495 -3.862 -2.399 1.00 0.61 H new ATOM 0 HD13 LEU A 80 20.219 -4.277 -2.554 1.00 0.61 H new ATOM 0 HD21 LEU A 80 19.796 -7.042 -3.773 1.00 1.19 H new ATOM 0 HD22 LEU A 80 20.962 -6.512 -2.537 1.00 1.19 H new ATOM 0 HD23 LEU A 80 19.861 -7.869 -2.199 1.00 1.19 H new ATOM 1278 N LYS A 81 18.227 -6.237 2.157 1.00 0.42 N ATOM 1279 CA LYS A 81 18.167 -5.907 3.611 1.00 0.42 C ATOM 1280 C LYS A 81 18.833 -7.000 4.460 1.00 0.30 C ATOM 1281 O LYS A 81 19.729 -6.703 5.223 1.00 0.44 O ATOM 1282 CB LYS A 81 16.651 -5.703 3.905 1.00 0.70 C ATOM 1283 CG LYS A 81 16.334 -5.482 5.388 1.00 0.94 C ATOM 1284 CD LYS A 81 14.789 -5.294 5.524 1.00 1.50 C ATOM 1285 CE LYS A 81 14.336 -5.491 6.983 1.00 2.00 C ATOM 1286 NZ LYS A 81 15.123 -4.575 7.873 1.00 1.99 N ATOM 0 H LYS A 81 17.379 -5.995 1.644 1.00 0.42 H new ATOM 0 HA LYS A 81 18.727 -5.009 3.872 1.00 0.42 H new ATOM 0 HB2 LYS A 81 16.292 -4.847 3.334 1.00 0.70 H new ATOM 0 HB3 LYS A 81 16.101 -6.575 3.551 1.00 0.70 H new ATOM 0 HG2 LYS A 81 16.669 -6.333 5.981 1.00 0.94 H new ATOM 0 HG3 LYS A 81 16.860 -4.605 5.764 1.00 0.94 H new ATOM 0 HD2 LYS A 81 14.509 -4.297 5.184 1.00 1.50 H new ATOM 0 HD3 LYS A 81 14.274 -6.007 4.880 1.00 1.50 H new ATOM 0 HE2 LYS A 81 13.270 -5.281 7.077 1.00 2.00 H new ATOM 0 HE3 LYS A 81 14.485 -6.528 7.286 1.00 2.00 H new ATOM 0 HZ1 LYS A 81 14.710 -4.579 8.827 1.00 1.99 H new ATOM 0 HZ2 LYS A 81 16.109 -4.901 7.922 1.00 1.99 H new ATOM 0 HZ3 LYS A 81 15.096 -3.609 7.488 1.00 1.99 H new ATOM 1300 N LYS A 82 18.381 -8.217 4.298 1.00 0.34 N ATOM 1301 CA LYS A 82 18.938 -9.379 5.059 1.00 0.42 C ATOM 1302 C LYS A 82 20.466 -9.600 4.920 1.00 0.45 C ATOM 1303 O LYS A 82 21.158 -10.052 5.811 1.00 0.36 O ATOM 1304 CB LYS A 82 18.184 -10.653 4.595 1.00 0.37 C ATOM 1305 CG LYS A 82 16.648 -10.422 4.652 1.00 0.43 C ATOM 1306 CD LYS A 82 15.845 -11.748 4.557 1.00 0.84 C ATOM 1307 CE LYS A 82 16.310 -12.596 3.386 1.00 2.07 C ATOM 1308 NZ LYS A 82 15.329 -13.713 3.134 1.00 1.71 N ATOM 0 H LYS A 82 17.629 -8.461 3.653 1.00 0.34 H new ATOM 0 HA LYS A 82 18.788 -9.158 6.116 1.00 0.42 H new ATOM 0 HB2 LYS A 82 18.482 -10.910 3.579 1.00 0.37 H new ATOM 0 HB3 LYS A 82 18.456 -11.496 5.230 1.00 0.37 H new ATOM 0 HG2 LYS A 82 16.394 -9.913 5.582 1.00 0.43 H new ATOM 0 HG3 LYS A 82 16.352 -9.762 3.836 1.00 0.43 H new ATOM 0 HD2 LYS A 82 15.959 -12.311 5.483 1.00 0.84 H new ATOM 0 HD3 LYS A 82 14.784 -11.525 4.448 1.00 0.84 H new ATOM 0 HE2 LYS A 82 16.405 -11.977 2.494 1.00 2.07 H new ATOM 0 HE3 LYS A 82 17.297 -13.009 3.595 1.00 2.07 H new ATOM 0 HZ1 LYS A 82 15.748 -14.617 3.432 1.00 1.71 H new ATOM 0 HZ2 LYS A 82 14.459 -13.540 3.676 1.00 1.71 H new ATOM 0 HZ3 LYS A 82 15.102 -13.754 2.120 1.00 1.71 H new ATOM 1322 N LYS A 83 20.915 -9.258 3.753 1.00 0.62 N ATOM 1323 CA LYS A 83 22.356 -9.379 3.359 1.00 0.67 C ATOM 1324 C LYS A 83 23.249 -8.203 3.800 1.00 0.80 C ATOM 1325 O LYS A 83 24.332 -8.365 4.325 1.00 1.11 O ATOM 1326 CB LYS A 83 22.412 -9.488 1.824 1.00 0.57 C ATOM 1327 CG LYS A 83 21.491 -10.597 1.306 1.00 0.51 C ATOM 1328 CD LYS A 83 21.346 -10.346 -0.210 1.00 0.81 C ATOM 1329 CE LYS A 83 20.471 -11.394 -0.861 1.00 0.56 C ATOM 1330 NZ LYS A 83 21.148 -12.719 -0.723 1.00 2.01 N ATOM 0 H LYS A 83 20.320 -8.881 3.016 1.00 0.62 H new ATOM 0 HA LYS A 83 22.749 -10.259 3.869 1.00 0.67 H new ATOM 0 HB2 LYS A 83 22.122 -8.536 1.380 1.00 0.57 H new ATOM 0 HB3 LYS A 83 23.436 -9.688 1.509 1.00 0.57 H new ATOM 0 HG2 LYS A 83 21.916 -11.582 1.501 1.00 0.51 H new ATOM 0 HG3 LYS A 83 20.521 -10.564 1.803 1.00 0.51 H new ATOM 0 HD2 LYS A 83 20.918 -9.357 -0.378 1.00 0.81 H new ATOM 0 HD3 LYS A 83 22.331 -10.351 -0.677 1.00 0.81 H new ATOM 0 HE2 LYS A 83 19.490 -11.417 -0.387 1.00 0.56 H new ATOM 0 HE3 LYS A 83 20.312 -11.156 -1.913 1.00 0.56 H new ATOM 0 HZ1 LYS A 83 20.741 -13.390 -1.405 1.00 2.01 H new ATOM 0 HZ2 LYS A 83 22.165 -12.610 -0.910 1.00 2.01 H new ATOM 0 HZ3 LYS A 83 21.010 -13.081 0.242 1.00 2.01 H new ATOM 1344 N TYR A 84 22.716 -7.046 3.548 1.00 0.69 N ATOM 1345 CA TYR A 84 23.381 -5.752 3.858 1.00 1.14 C ATOM 1346 C TYR A 84 23.215 -5.159 5.270 1.00 1.61 C ATOM 1347 O TYR A 84 24.131 -4.465 5.674 1.00 3.13 O ATOM 1348 CB TYR A 84 22.877 -4.848 2.689 1.00 1.16 C ATOM 1349 CG TYR A 84 23.410 -5.518 1.388 1.00 0.98 C ATOM 1350 CD1 TYR A 84 24.770 -5.638 1.172 1.00 1.06 C ATOM 1351 CD2 TYR A 84 22.565 -6.047 0.428 1.00 0.80 C ATOM 1352 CE1 TYR A 84 25.267 -6.266 0.044 1.00 0.93 C ATOM 1353 CE2 TYR A 84 23.068 -6.671 -0.694 1.00 0.69 C ATOM 1354 CZ TYR A 84 24.409 -6.784 -0.891 1.00 0.72 C ATOM 1355 OH TYR A 84 24.866 -7.411 -2.029 1.00 0.61 O ATOM 0 H TYR A 84 21.798 -6.939 3.117 1.00 0.69 H new ATOM 0 HA TYR A 84 24.464 -5.868 3.908 1.00 1.14 H new ATOM 0 HB2 TYR A 84 21.789 -4.786 2.681 1.00 1.16 H new ATOM 0 HB3 TYR A 84 23.254 -3.830 2.789 1.00 1.16 H new ATOM 0 HD1 TYR A 84 25.459 -5.233 1.899 1.00 1.06 H new ATOM 0 HD2 TYR A 84 21.496 -5.970 0.560 1.00 0.80 H new ATOM 0 HE1 TYR A 84 26.334 -6.348 -0.100 1.00 0.93 H new ATOM 0 HE2 TYR A 84 22.387 -7.076 -1.428 1.00 0.69 H new ATOM 0 HH TYR A 84 24.103 -7.710 -2.566 1.00 0.61 H new ATOM 1365 N GLY A 85 22.118 -5.390 5.961 1.00 0.43 N ATOM 1366 CA GLY A 85 21.985 -4.821 7.357 1.00 1.08 C ATOM 1367 C GLY A 85 21.019 -3.702 7.736 1.00 0.50 C ATOM 1368 O GLY A 85 21.348 -2.956 8.633 1.00 1.06 O ATOM 0 H GLY A 85 21.322 -5.936 5.632 1.00 0.43 H new ATOM 0 HA2 GLY A 85 21.745 -5.663 8.007 1.00 1.08 H new ATOM 0 HA3 GLY A 85 22.979 -4.473 7.640 1.00 1.08 H new ATOM 1372 N ILE A 86 19.890 -3.573 7.097 1.00 0.41 N ATOM 1373 CA ILE A 86 18.931 -2.480 7.478 1.00 1.07 C ATOM 1374 C ILE A 86 17.598 -3.141 7.949 1.00 2.03 C ATOM 1375 O ILE A 86 17.571 -4.360 7.988 1.00 2.00 O ATOM 1376 CB ILE A 86 18.807 -1.547 6.194 1.00 0.62 C ATOM 1377 CG1 ILE A 86 17.838 -0.394 6.479 1.00 1.17 C ATOM 1378 CG2 ILE A 86 18.281 -2.312 4.979 1.00 0.78 C ATOM 1379 CD1 ILE A 86 17.943 0.736 5.410 1.00 0.63 C ATOM 1380 OXT ILE A 86 16.634 -2.467 8.267 1.00 3.05 O ATOM 0 H ILE A 86 19.584 -4.171 6.329 1.00 0.41 H new ATOM 0 HA ILE A 86 19.255 -1.858 8.313 1.00 1.07 H new ATOM 0 HB ILE A 86 19.808 -1.175 5.974 1.00 0.62 H new ATOM 0 HG12 ILE A 86 16.817 -0.776 6.503 1.00 1.17 H new ATOM 0 HG13 ILE A 86 18.047 0.020 7.465 1.00 1.17 H new ATOM 0 HG21 ILE A 86 18.212 -1.637 4.126 1.00 0.78 H new ATOM 0 HG22 ILE A 86 18.962 -3.129 4.741 1.00 0.78 H new ATOM 0 HG23 ILE A 86 17.294 -2.716 5.203 1.00 0.78 H new ATOM 0 HD11 ILE A 86 17.239 1.532 5.652 1.00 0.63 H new ATOM 0 HD12 ILE A 86 18.956 1.138 5.403 1.00 0.63 H new ATOM 0 HD13 ILE A 86 17.707 0.329 4.426 1.00 0.63 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.439 2.226 -6.845 1.00 0.33 N HETATM 1394 C2A COA A 87 17.294 1.957 -7.834 1.00 0.30 C HETATM 1395 N3A COA A 87 17.983 2.823 -8.587 1.00 0.48 N HETATM 1396 C4A COA A 87 17.731 4.116 -8.236 1.00 0.76 C HETATM 1397 C5A COA A 87 16.885 4.542 -7.245 1.00 0.83 C HETATM 1398 C6A COA A 87 16.222 3.519 -6.533 1.00 0.58 C HETATM 1399 N6A COA A 87 15.366 3.763 -5.557 1.00 0.64 N HETATM 1400 N7A COA A 87 16.872 5.927 -7.171 1.00 1.17 N HETATM 1401 C8A COA A 87 17.704 6.281 -8.116 1.00 1.29 C HETATM 1402 N9A COA A 87 18.258 5.246 -8.801 1.00 1.06 N HETATM 1403 C1B COA A 87 19.207 5.308 -9.929 1.00 1.16 C HETATM 1404 C2B COA A 87 19.396 6.728 -10.457 1.00 0.80 C HETATM 1405 O2B COA A 87 18.330 7.018 -11.373 1.00 1.19 O HETATM 1406 C3B COA A 87 20.752 6.613 -11.122 1.00 1.00 C HETATM 1407 O3B COA A 87 20.757 5.776 -12.363 1.00 1.47 O HETATM 1408 P3B COA A 87 20.314 6.152 -13.905 1.00 1.70 P HETATM 1409 O7A COA A 87 19.734 4.882 -14.400 1.00 1.32 O HETATM 1410 O8A COA A 87 21.538 6.552 -14.630 1.00 2.31 O HETATM 1411 O9A COA A 87 19.252 7.165 -13.702 1.00 2.69 O HETATM 1412 C4B COA A 87 21.454 5.804 -9.998 1.00 1.19 C HETATM 1413 O4B COA A 87 20.486 4.894 -9.476 1.00 1.38 O HETATM 1414 C5B COA A 87 21.988 6.580 -8.708 1.00 1.06 C HETATM 1415 O5B COA A 87 21.091 7.260 -7.758 1.00 0.83 O HETATM 1416 P1A COA A 87 21.222 8.836 -7.340 1.00 0.78 P HETATM 1417 O1A COA A 87 20.196 9.582 -8.091 1.00 1.66 O HETATM 1418 O2A COA A 87 22.649 9.178 -7.570 1.00 1.44 O HETATM 1419 O3A COA A 87 20.962 9.096 -5.813 1.00 1.18 O HETATM 1420 P2A COA A 87 19.571 8.738 -5.213 1.00 2.81 P HETATM 1421 O4A COA A 87 19.024 9.841 -4.393 1.00 3.90 O HETATM 1422 O5A COA A 87 18.677 8.053 -6.156 1.00 3.45 O HETATM 1423 O6A COA A 87 20.033 7.648 -4.093 1.00 3.24 O HETATM 1424 CBP COA A 87 22.331 6.631 -3.673 1.00 0.96 C HETATM 1425 CCP COA A 87 21.250 7.743 -3.281 1.00 1.10 C HETATM 1426 CDP COA A 87 22.529 6.733 -5.166 1.00 1.08 C HETATM 1427 CEP COA A 87 21.733 5.255 -3.381 1.00 0.77 C HETATM 1428 CAP COA A 87 23.763 6.777 -2.985 1.00 0.94 C HETATM 1429 OAP COA A 87 24.570 5.707 -3.521 1.00 2.59 O HETATM 1430 C9P COA A 87 23.675 6.687 -1.459 1.00 0.84 C HETATM 1431 O9P COA A 87 23.425 7.661 -0.771 1.00 1.15 O HETATM 1432 N8P COA A 87 23.890 5.468 -1.031 1.00 0.49 N HETATM 1433 C7P COA A 87 23.868 5.064 0.401 1.00 0.51 C HETATM 1434 C6P COA A 87 25.079 5.730 1.082 1.00 1.32 C HETATM 1435 C5P COA A 87 26.407 5.588 0.348 1.00 2.17 C HETATM 1436 O5P COA A 87 27.287 6.397 0.553 1.00 3.77 O HETATM 1437 N4P COA A 87 26.519 4.572 -0.459 1.00 1.17 N HETATM 1438 C3P COA A 87 27.764 4.326 -1.237 1.00 1.91 C HETATM 1439 C2P COA A 87 27.384 4.511 -2.717 1.00 1.33 C HETATM 1440 S1P COA A 87 26.798 3.061 -3.636 1.00 0.48 S HETATM 0 HO2A COA A 87 18.699 7.416 -12.189 1.00 1.19 H new HETATM 0 H62A COA A 87 15.167 4.725 -5.282 1.00 0.64 H new HETATM 0 H61A COA A 87 14.904 2.990 -5.078 1.00 0.64 H new HETATM 0 H52A COA A 87 22.565 5.859 -8.129 1.00 1.06 H new HETATM 0 H51A COA A 87 22.689 7.334 -9.067 1.00 1.06 H new HETATM 0 H143 COA A 87 21.490 5.182 -2.321 1.00 0.77 H new HETATM 0 H142 COA A 87 20.827 5.119 -3.972 1.00 0.77 H new HETATM 0 H141 COA A 87 22.455 4.482 -3.642 1.00 0.77 H new HETATM 0 H133 COA A 87 21.581 6.550 -5.672 1.00 1.08 H new HETATM 0 H132 COA A 87 22.888 7.731 -5.418 1.00 1.08 H new HETATM 0 H131 COA A 87 23.261 5.992 -5.487 1.00 1.08 H new HETATM 0 H122 COA A 87 21.690 8.733 -3.404 1.00 1.10 H new HETATM 0 H121 COA A 87 20.990 7.638 -2.228 1.00 1.10 H new HETATM 0 HO1 COA A 87 25.146 6.057 -4.232 1.00 2.59 H new HETATM 0 HN8 COA A 87 24.086 4.747 -1.726 1.00 0.49 H new HETATM 0 HN4 COA A 87 25.734 3.929 -0.560 1.00 1.17 H new HETATM 0 H8A COA A 87 17.935 7.323 -8.337 1.00 1.29 H new HETATM 0 H72 COA A 87 22.939 5.379 0.875 1.00 0.51 H new HETATM 0 H71 COA A 87 23.922 3.979 0.495 1.00 0.51 H new HETATM 0 H62 COA A 87 24.865 6.791 1.207 1.00 1.32 H new HETATM 0 H61 COA A 87 25.189 5.308 2.081 1.00 1.32 H new HETATM 0 H4B COA A 87 22.334 5.396 -10.495 1.00 1.19 H new HETATM 0 H3B COA A 87 21.170 7.568 -11.440 1.00 1.00 H new HETATM 0 H32 COA A 87 28.550 5.023 -0.946 1.00 1.91 H new HETATM 0 H31 COA A 87 28.146 3.321 -1.055 1.00 1.91 H new HETATM 0 H2B COA A 87 19.367 7.534 -9.724 1.00 0.80 H new HETATM 0 H2A COA A 87 17.451 0.901 -8.056 1.00 0.30 H new HETATM 0 H22 COA A 87 26.608 5.275 -2.769 1.00 1.33 H new HETATM 0 H21 COA A 87 28.256 4.906 -3.238 1.00 1.33 H new HETATM 0 H1B COA A 87 18.800 4.673 -10.715 1.00 1.16 H new HETATM 0 H10 COA A 87 24.197 7.754 -3.198 1.00 0.94 H new HETATM 1472 C1 PLM A 88 25.223 2.639 -2.842 1.00 0.84 C HETATM 1473 O2 PLM A 88 24.826 3.042 -1.762 1.00 1.31 O HETATM 1474 C2 PLM A 88 24.410 1.669 -3.710 1.00 0.75 C HETATM 1475 C3 PLM A 88 23.022 1.320 -3.076 1.00 0.75 C HETATM 1476 C4 PLM A 88 21.908 1.261 -4.208 1.00 0.31 C HETATM 1477 C5 PLM A 88 21.822 -0.066 -5.044 1.00 1.41 C HETATM 1478 C6 PLM A 88 20.735 0.043 -6.138 1.00 0.35 C HETATM 1479 C7 PLM A 88 21.299 0.440 -7.518 1.00 0.78 C HETATM 1480 C8 PLM A 88 22.003 1.820 -7.459 1.00 1.67 C HETATM 1481 C9 PLM A 88 21.995 2.463 -8.848 1.00 0.69 C HETATM 1482 CA PLM A 88 22.680 1.579 -9.873 1.00 1.00 C HETATM 1483 CB PLM A 88 24.209 1.612 -9.710 1.00 0.84 C HETATM 1484 CC PLM A 88 24.732 0.196 -9.989 1.00 0.90 C HETATM 1485 CD PLM A 88 24.215 -0.364 -11.344 1.00 0.31 C HETATM 1486 CE PLM A 88 24.566 -1.864 -11.395 1.00 0.30 C HETATM 1487 CF PLM A 88 26.064 -2.031 -11.686 1.00 0.28 C HETATM 1488 CG PLM A 88 26.266 -3.243 -12.602 1.00 0.30 C HETATM 0 HG3 PLM A 88 25.887 -4.138 -12.110 1.00 0.30 H new HETATM 0 HG2 PLM A 88 25.727 -3.087 -13.536 1.00 0.30 H new HETATM 0 HG1 PLM A 88 27.328 -3.367 -12.812 1.00 0.30 H new HETATM 0 HF2 PLM A 88 26.457 -1.132 -12.160 1.00 0.28 H new HETATM 0 HF1 PLM A 88 26.615 -2.167 -10.755 1.00 0.28 H new HETATM 0 HE2 PLM A 88 24.314 -2.340 -10.447 1.00 0.30 H new HETATM 0 HE1 PLM A 88 23.977 -2.360 -12.167 1.00 0.30 H new HETATM 0 HD2 PLM A 88 23.138 -0.220 -11.432 1.00 0.31 H new HETATM 0 HD1 PLM A 88 24.676 0.165 -12.178 1.00 0.31 H new HETATM 0 HC2 PLM A 88 25.822 0.208 -9.995 1.00 0.90 H new HETATM 0 HC1 PLM A 88 24.424 -0.469 -9.182 1.00 0.90 H new HETATM 0 HB2 PLM A 88 24.653 2.328 -10.401 1.00 0.84 H new HETATM 0 HB1 PLM A 88 24.481 1.930 -8.703 1.00 0.84 H new HETATM 0 HA2 PLM A 88 22.323 0.554 -9.768 1.00 1.00 H new HETATM 0 HA1 PLM A 88 22.412 1.909 -10.877 1.00 1.00 H new HETATM 0 H92 PLM A 88 20.967 2.651 -9.157 1.00 0.69 H new HETATM 0 H91 PLM A 88 22.497 3.430 -8.806 1.00 0.69 H new HETATM 0 H82 PLM A 88 21.495 2.468 -6.745 1.00 1.67 H new HETATM 0 H81 PLM A 88 23.028 1.701 -7.108 1.00 1.67 H new HETATM 0 H72 PLM A 88 22.006 -0.318 -7.857 1.00 0.78 H new HETATM 0 H71 PLM A 88 20.491 0.472 -8.249 1.00 0.78 H new HETATM 0 H62 PLM A 88 20.219 -0.913 -6.225 1.00 0.35 H new HETATM 0 H61 PLM A 88 19.992 0.779 -5.831 1.00 0.35 H new HETATM 0 H52 PLM A 88 22.788 -0.274 -5.504 1.00 1.41 H new HETATM 0 H51 PLM A 88 21.597 -0.903 -4.383 1.00 1.41 H new HETATM 0 H42 PLM A 88 20.938 1.432 -3.741 1.00 0.31 H new HETATM 0 H41 PLM A 88 22.080 2.087 -4.898 1.00 0.31 H new HETATM 0 H32 PLM A 88 23.079 0.362 -2.560 1.00 0.75 H new HETATM 0 H31 PLM A 88 22.755 2.068 -2.330 1.00 0.75 H new HETATM 0 H22 PLM A 88 24.256 2.109 -4.695 1.00 0.75 H new HETATM 0 H21 PLM A 88 24.980 0.752 -3.857 1.00 0.75 H new