USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 60 MET CE :methyl -178:sc= -0.0016 (180deg=-0.00733) USER MOD Set 1.2: A 84 CYS SG : rot 126:sc= 0.389 USER MOD Set 2.1: A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 GLN : amide:sc= -1.33 K(o=-1.9,f=-7.5!) USER MOD Set 2.3: A 81 MET CE :methyl -137:sc= -0.518 (180deg=-2.68!) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.0843 (180deg=-1.51!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0198) USER MOD Single : A 11 GLN : amide:sc= -0.0787 X(o=-0.079,f=-0.19) USER MOD Single : A 13 THR OG1 : rot -104:sc= 0.0549 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 0.0227 (180deg=0.00519) USER MOD Single : A 18 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.53) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.113 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.786 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -172:sc= -0.272 (180deg=-0.434) USER MOD Single : A 51 ASN : amide:sc= -1.7 X(o=-1.7,f=-2.2!) USER MOD Single : A 53 THR OG1 : rot -160:sc= -1.67 USER MOD Single : A 58 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.93) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 163:sc= -0.284 (180deg=-1.66!) USER MOD Single : A 85 MET CE :methyl -164:sc= -0.705 (180deg=-1.6) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.465) USER MOD Single : A 89 SER OG : rot 180:sc= -1.41 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 79.305 2.566 19.379 1.00 4.64 N ATOM 2 CA MET A 1 79.401 1.119 19.032 1.00 4.12 C ATOM 3 C MET A 1 78.302 0.742 18.035 1.00 3.48 C ATOM 4 O MET A 1 77.285 0.185 18.399 1.00 3.58 O ATOM 5 CB MET A 1 79.201 0.379 20.355 1.00 4.98 C ATOM 6 CG MET A 1 79.484 -1.111 20.152 1.00 5.66 C ATOM 7 SD MET A 1 78.343 -2.086 21.163 1.00 6.61 S ATOM 8 CE MET A 1 78.581 -1.181 22.711 1.00 7.61 C ATOM 0 H1 MET A 1 80.055 2.811 20.056 1.00 4.64 H new ATOM 0 H2 MET A 1 79.416 3.138 18.517 1.00 4.64 H new ATOM 0 H3 MET A 1 78.377 2.760 19.806 1.00 4.64 H new ATOM 0 HA MET A 1 80.354 0.868 18.566 1.00 4.12 H new ATOM 0 HB2 MET A 1 79.866 0.786 21.116 1.00 4.98 H new ATOM 0 HB3 MET A 1 78.181 0.521 20.713 1.00 4.98 H new ATOM 0 HG2 MET A 1 79.370 -1.374 19.100 1.00 5.66 H new ATOM 0 HG3 MET A 1 80.514 -1.337 20.427 1.00 5.66 H new ATOM 0 HE1 MET A 1 78.397 -1.847 23.554 1.00 7.61 H new ATOM 0 HE2 MET A 1 79.604 -0.807 22.760 1.00 7.61 H new ATOM 0 HE3 MET A 1 77.886 -0.343 22.753 1.00 7.61 H new ATOM 20 N ASP A 2 78.498 1.041 16.780 1.00 3.24 N ATOM 21 CA ASP A 2 77.462 0.699 15.763 1.00 2.87 C ATOM 22 C ASP A 2 78.025 0.878 14.349 1.00 2.07 C ATOM 23 O ASP A 2 77.539 1.679 13.576 1.00 2.09 O ATOM 24 CB ASP A 2 76.321 1.685 16.013 1.00 3.39 C ATOM 25 CG ASP A 2 75.255 1.024 16.889 1.00 4.29 C ATOM 26 OD1 ASP A 2 74.775 -0.032 16.508 1.00 4.75 O ATOM 27 OD2 ASP A 2 74.937 1.583 17.925 1.00 4.77 O ATOM 0 H ASP A 2 79.329 1.506 16.415 1.00 3.24 H new ATOM 0 HA ASP A 2 77.132 -0.337 15.844 1.00 2.87 H new ATOM 0 HB2 ASP A 2 76.702 2.582 16.501 1.00 3.39 H new ATOM 0 HB3 ASP A 2 75.884 1.999 15.065 1.00 3.39 H new ATOM 32 N ASP A 3 79.044 0.137 14.006 1.00 1.76 N ATOM 33 CA ASP A 3 79.632 0.268 12.642 1.00 1.28 C ATOM 34 C ASP A 3 79.644 -1.098 11.939 1.00 1.35 C ATOM 35 O ASP A 3 78.624 -1.747 11.825 1.00 1.53 O ATOM 36 CB ASP A 3 81.053 0.784 12.876 1.00 1.32 C ATOM 37 CG ASP A 3 80.998 2.128 13.603 1.00 2.14 C ATOM 38 OD1 ASP A 3 80.380 2.188 14.652 1.00 2.66 O ATOM 39 OD2 ASP A 3 81.577 3.076 13.097 1.00 2.84 O ATOM 0 H ASP A 3 79.494 -0.552 14.609 1.00 1.76 H new ATOM 0 HA ASP A 3 79.062 0.940 12.001 1.00 1.28 H new ATOM 0 HB2 ASP A 3 81.620 0.063 13.465 1.00 1.32 H new ATOM 0 HB3 ASP A 3 81.572 0.895 11.924 1.00 1.32 H new ATOM 44 N ILE A 4 80.783 -1.538 11.464 1.00 1.45 N ATOM 45 CA ILE A 4 80.847 -2.856 10.766 1.00 1.66 C ATOM 46 C ILE A 4 80.026 -2.810 9.475 1.00 1.48 C ATOM 47 O ILE A 4 80.558 -2.899 8.386 1.00 1.58 O ATOM 48 CB ILE A 4 80.251 -3.870 11.746 1.00 1.89 C ATOM 49 CG1 ILE A 4 80.821 -3.626 13.145 1.00 2.25 C ATOM 50 CG2 ILE A 4 80.609 -5.287 11.294 1.00 1.95 C ATOM 51 CD1 ILE A 4 80.141 -4.567 14.143 1.00 2.30 C ATOM 0 H ILE A 4 81.671 -1.040 11.530 1.00 1.45 H new ATOM 0 HA ILE A 4 81.867 -3.120 10.488 1.00 1.66 H new ATOM 0 HB ILE A 4 79.167 -3.756 11.769 1.00 1.89 H new ATOM 0 HG12 ILE A 4 81.898 -3.795 13.145 1.00 2.25 H new ATOM 0 HG13 ILE A 4 80.661 -2.589 13.439 1.00 2.25 H new ATOM 0 HG21 ILE A 4 80.185 -6.009 11.991 1.00 1.95 H new ATOM 0 HG22 ILE A 4 80.205 -5.464 10.297 1.00 1.95 H new ATOM 0 HG23 ILE A 4 81.693 -5.398 11.271 1.00 1.95 H new ATOM 0 HD11 ILE A 4 80.546 -4.394 15.140 1.00 2.30 H new ATOM 0 HD12 ILE A 4 79.068 -4.377 14.149 1.00 2.30 H new ATOM 0 HD13 ILE A 4 80.324 -5.601 13.851 1.00 2.30 H new ATOM 63 N TYR A 5 78.735 -2.666 9.587 1.00 1.29 N ATOM 64 CA TYR A 5 77.882 -2.611 8.366 1.00 1.15 C ATOM 65 C TYR A 5 78.283 -1.414 7.500 1.00 1.04 C ATOM 66 O TYR A 5 78.290 -1.489 6.287 1.00 1.02 O ATOM 67 CB TYR A 5 76.454 -2.446 8.887 1.00 1.16 C ATOM 68 CG TYR A 5 75.876 -3.804 9.202 1.00 1.39 C ATOM 69 CD1 TYR A 5 75.322 -4.583 8.180 1.00 1.97 C ATOM 70 CD2 TYR A 5 75.894 -4.285 10.517 1.00 1.89 C ATOM 71 CE1 TYR A 5 74.788 -5.843 8.471 1.00 2.21 C ATOM 72 CE2 TYR A 5 75.360 -5.545 10.808 1.00 2.12 C ATOM 73 CZ TYR A 5 74.806 -6.325 9.785 1.00 1.97 C ATOM 74 OH TYR A 5 74.279 -7.567 10.072 1.00 2.28 O ATOM 0 H TYR A 5 78.233 -2.584 10.471 1.00 1.29 H new ATOM 0 HA TYR A 5 77.986 -3.501 7.746 1.00 1.15 H new ATOM 0 HB2 TYR A 5 76.451 -1.821 9.780 1.00 1.16 H new ATOM 0 HB3 TYR A 5 75.839 -1.941 8.142 1.00 1.16 H new ATOM 0 HD1 TYR A 5 75.307 -4.211 7.166 1.00 1.97 H new ATOM 0 HD2 TYR A 5 76.320 -3.683 11.306 1.00 1.89 H new ATOM 0 HE1 TYR A 5 74.362 -6.444 7.681 1.00 2.21 H new ATOM 0 HE2 TYR A 5 75.375 -5.916 11.822 1.00 2.12 H new ATOM 0 HH TYR A 5 74.373 -7.749 11.030 1.00 2.28 H new ATOM 84 N LYS A 6 78.622 -0.314 8.114 1.00 1.08 N ATOM 85 CA LYS A 6 79.028 0.883 7.324 1.00 1.15 C ATOM 86 C LYS A 6 80.069 0.487 6.274 1.00 1.34 C ATOM 87 O LYS A 6 80.071 0.987 5.166 1.00 1.48 O ATOM 88 CB LYS A 6 79.635 1.845 8.347 1.00 1.28 C ATOM 89 CG LYS A 6 78.535 2.739 8.921 1.00 1.93 C ATOM 90 CD LYS A 6 79.168 3.903 9.687 1.00 2.17 C ATOM 91 CE LYS A 6 78.942 5.205 8.916 1.00 3.13 C ATOM 92 NZ LYS A 6 80.112 5.321 8.002 1.00 3.45 N ATOM 0 H LYS A 6 78.636 -0.192 9.127 1.00 1.08 H new ATOM 0 HA LYS A 6 78.191 1.333 6.791 1.00 1.15 H new ATOM 0 HB2 LYS A 6 80.118 1.284 9.148 1.00 1.28 H new ATOM 0 HB3 LYS A 6 80.406 2.455 7.876 1.00 1.28 H new ATOM 0 HG2 LYS A 6 77.905 3.119 8.117 1.00 1.93 H new ATOM 0 HG3 LYS A 6 77.891 2.161 9.584 1.00 1.93 H new ATOM 0 HD2 LYS A 6 78.731 3.977 10.683 1.00 2.17 H new ATOM 0 HD3 LYS A 6 80.236 3.727 9.820 1.00 2.17 H new ATOM 0 HE2 LYS A 6 78.006 5.175 8.357 1.00 3.13 H new ATOM 0 HE3 LYS A 6 78.883 6.058 9.592 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 80.054 6.216 7.476 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 80.990 5.303 8.558 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 80.110 4.525 7.333 1.00 3.45 H new ATOM 106 N ALA A 7 80.953 -0.410 6.615 1.00 1.45 N ATOM 107 CA ALA A 7 81.994 -0.843 5.640 1.00 1.74 C ATOM 108 C ALA A 7 81.362 -1.698 4.538 1.00 1.74 C ATOM 109 O ALA A 7 81.634 -1.520 3.368 1.00 1.92 O ATOM 110 CB ALA A 7 82.985 -1.670 6.460 1.00 1.95 C ATOM 0 H ALA A 7 81.000 -0.862 7.528 1.00 1.45 H new ATOM 0 HA ALA A 7 82.477 0.001 5.149 1.00 1.74 H new ATOM 0 HB1 ALA A 7 83.785 -2.027 5.812 1.00 1.95 H new ATOM 0 HB2 ALA A 7 83.408 -1.051 7.251 1.00 1.95 H new ATOM 0 HB3 ALA A 7 82.469 -2.522 6.902 1.00 1.95 H new ATOM 116 N ALA A 8 80.519 -2.625 4.905 1.00 1.60 N ATOM 117 CA ALA A 8 79.870 -3.491 3.880 1.00 1.68 C ATOM 118 C ALA A 8 79.254 -2.630 2.774 1.00 1.49 C ATOM 119 O ALA A 8 79.272 -2.987 1.613 1.00 1.62 O ATOM 120 CB ALA A 8 78.782 -4.255 4.636 1.00 1.71 C ATOM 0 H ALA A 8 80.252 -2.820 5.870 1.00 1.60 H new ATOM 0 HA ALA A 8 80.580 -4.164 3.399 1.00 1.68 H new ATOM 0 HB1 ALA A 8 78.257 -4.917 3.947 1.00 1.71 H new ATOM 0 HB2 ALA A 8 79.238 -4.846 5.431 1.00 1.71 H new ATOM 0 HB3 ALA A 8 78.075 -3.548 5.070 1.00 1.71 H new ATOM 126 N VAL A 9 78.709 -1.499 3.127 1.00 1.25 N ATOM 127 CA VAL A 9 78.092 -0.615 2.097 1.00 1.20 C ATOM 128 C VAL A 9 79.183 0.059 1.260 1.00 1.40 C ATOM 129 O VAL A 9 78.980 0.391 0.108 1.00 1.41 O ATOM 130 CB VAL A 9 77.301 0.425 2.892 1.00 1.13 C ATOM 131 CG1 VAL A 9 76.819 1.531 1.953 1.00 1.83 C ATOM 132 CG2 VAL A 9 76.093 -0.248 3.546 1.00 1.52 C ATOM 0 H VAL A 9 78.664 -1.148 4.084 1.00 1.25 H new ATOM 0 HA VAL A 9 77.456 -1.165 1.404 1.00 1.20 H new ATOM 0 HB VAL A 9 77.941 0.857 3.661 1.00 1.13 H new ATOM 0 HG11 VAL A 9 76.256 2.271 2.521 1.00 1.83 H new ATOM 0 HG12 VAL A 9 77.678 2.011 1.484 1.00 1.83 H new ATOM 0 HG13 VAL A 9 76.179 1.101 1.183 1.00 1.83 H new ATOM 0 HG21 VAL A 9 75.528 0.491 4.113 1.00 1.52 H new ATOM 0 HG22 VAL A 9 75.455 -0.679 2.775 1.00 1.52 H new ATOM 0 HG23 VAL A 9 76.435 -1.036 4.217 1.00 1.52 H new ATOM 142 N GLU A 10 80.340 0.264 1.829 1.00 1.64 N ATOM 143 CA GLU A 10 81.444 0.914 1.066 1.00 1.94 C ATOM 144 C GLU A 10 82.099 -0.095 0.120 1.00 1.97 C ATOM 145 O GLU A 10 83.050 0.212 -0.571 1.00 2.19 O ATOM 146 CB GLU A 10 82.442 1.373 2.130 1.00 2.23 C ATOM 147 CG GLU A 10 82.563 2.897 2.095 1.00 2.75 C ATOM 148 CD GLU A 10 83.676 3.299 1.127 1.00 3.11 C ATOM 149 OE1 GLU A 10 83.415 3.336 -0.064 1.00 3.35 O ATOM 150 OE2 GLU A 10 84.773 3.561 1.592 1.00 3.61 O ATOM 0 H GLU A 10 80.569 0.009 2.790 1.00 1.64 H new ATOM 0 HA GLU A 10 81.090 1.742 0.452 1.00 1.94 H new ATOM 0 HB2 GLU A 10 82.113 1.047 3.117 1.00 2.23 H new ATOM 0 HB3 GLU A 10 83.415 0.916 1.951 1.00 2.23 H new ATOM 0 HG2 GLU A 10 81.617 3.340 1.783 1.00 2.75 H new ATOM 0 HG3 GLU A 10 82.779 3.278 3.093 1.00 2.75 H new ATOM 157 N GLN A 11 81.598 -1.300 0.084 1.00 1.87 N ATOM 158 CA GLN A 11 82.194 -2.328 -0.817 1.00 2.00 C ATOM 159 C GLN A 11 81.586 -2.222 -2.219 1.00 1.46 C ATOM 160 O GLN A 11 82.199 -2.595 -3.201 1.00 1.69 O ATOM 161 CB GLN A 11 81.832 -3.668 -0.175 1.00 2.54 C ATOM 162 CG GLN A 11 82.351 -3.702 1.265 1.00 3.27 C ATOM 163 CD GLN A 11 83.832 -3.324 1.284 1.00 3.83 C ATOM 164 OE1 GLN A 11 84.671 -4.085 0.843 1.00 4.41 O ATOM 165 NE2 GLN A 11 84.194 -2.174 1.783 1.00 3.95 N ATOM 0 H GLN A 11 80.803 -1.617 0.639 1.00 1.87 H new ATOM 0 HA GLN A 11 83.271 -2.205 -0.930 1.00 2.00 H new ATOM 0 HB2 GLN A 11 80.751 -3.808 -0.187 1.00 2.54 H new ATOM 0 HB3 GLN A 11 82.266 -4.487 -0.749 1.00 2.54 H new ATOM 0 HG2 GLN A 11 81.780 -3.010 1.885 1.00 3.27 H new ATOM 0 HG3 GLN A 11 82.214 -4.697 1.689 1.00 3.27 H new ATOM 0 HE21 GLN A 11 83.491 -1.535 2.153 1.00 3.95 H new ATOM 0 HE22 GLN A 11 85.180 -1.914 1.803 1.00 3.95 H new ATOM 174 N LEU A 12 80.389 -1.715 -2.320 1.00 1.14 N ATOM 175 CA LEU A 12 79.744 -1.585 -3.660 1.00 1.23 C ATOM 176 C LEU A 12 80.696 -0.893 -4.640 1.00 1.75 C ATOM 177 O LEU A 12 81.137 0.216 -4.413 1.00 2.52 O ATOM 178 CB LEU A 12 78.504 -0.723 -3.421 1.00 1.10 C ATOM 179 CG LEU A 12 77.541 -1.460 -2.491 1.00 1.16 C ATOM 180 CD1 LEU A 12 76.386 -0.532 -2.111 1.00 1.74 C ATOM 181 CD2 LEU A 12 76.988 -2.694 -3.207 1.00 1.62 C ATOM 0 H LEU A 12 79.828 -1.385 -1.534 1.00 1.14 H new ATOM 0 HA LEU A 12 79.491 -2.553 -4.092 1.00 1.23 H new ATOM 0 HB2 LEU A 12 78.791 0.232 -2.981 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.013 -0.503 -4.369 1.00 1.10 H new ATOM 0 HG LEU A 12 78.071 -1.768 -1.589 1.00 1.16 H new ATOM 0 HD11 LEU A 12 75.700 -1.058 -1.448 1.00 1.74 H new ATOM 0 HD12 LEU A 12 76.779 0.348 -1.602 1.00 1.74 H new ATOM 0 HD13 LEU A 12 75.855 -0.224 -3.012 1.00 1.74 H new ATOM 0 HD21 LEU A 12 76.301 -3.221 -2.545 1.00 1.62 H new ATOM 0 HD22 LEU A 12 76.459 -2.385 -4.108 1.00 1.62 H new ATOM 0 HD23 LEU A 12 77.810 -3.356 -3.478 1.00 1.62 H new ATOM 193 N THR A 13 81.015 -1.538 -5.729 1.00 1.74 N ATOM 194 CA THR A 13 81.936 -0.911 -6.721 1.00 2.37 C ATOM 195 C THR A 13 81.388 0.450 -7.160 1.00 2.28 C ATOM 196 O THR A 13 80.255 0.792 -6.879 1.00 1.84 O ATOM 197 CB THR A 13 81.971 -1.883 -7.902 1.00 2.87 C ATOM 198 OG1 THR A 13 80.672 -2.422 -8.107 1.00 2.80 O ATOM 199 CG2 THR A 13 82.955 -3.015 -7.606 1.00 3.47 C ATOM 0 H THR A 13 80.679 -2.469 -5.975 1.00 1.74 H new ATOM 0 HA THR A 13 82.930 -0.737 -6.310 1.00 2.37 H new ATOM 0 HB THR A 13 82.291 -1.354 -8.799 1.00 2.87 H new ATOM 0 HG1 THR A 13 80.642 -3.341 -7.767 1.00 2.80 H new ATOM 0 HG21 THR A 13 82.978 -3.706 -8.448 1.00 3.47 H new ATOM 0 HG22 THR A 13 83.951 -2.600 -7.449 1.00 3.47 H new ATOM 0 HG23 THR A 13 82.638 -3.547 -6.709 1.00 3.47 H new ATOM 207 N GLU A 14 82.179 1.228 -7.845 1.00 2.79 N ATOM 208 CA GLU A 14 81.698 2.564 -8.298 1.00 2.85 C ATOM 209 C GLU A 14 80.552 2.401 -9.300 1.00 2.54 C ATOM 210 O GLU A 14 79.552 3.089 -9.231 1.00 2.21 O ATOM 211 CB GLU A 14 82.908 3.215 -8.968 1.00 3.57 C ATOM 212 CG GLU A 14 83.001 4.683 -8.540 1.00 3.91 C ATOM 213 CD GLU A 14 83.313 4.762 -7.045 1.00 4.24 C ATOM 214 OE1 GLU A 14 83.461 3.716 -6.434 1.00 4.48 O ATOM 215 OE2 GLU A 14 83.399 5.867 -6.534 1.00 4.66 O ATOM 0 H GLU A 14 83.136 0.997 -8.111 1.00 2.79 H new ATOM 0 HA GLU A 14 81.316 3.167 -7.474 1.00 2.85 H new ATOM 0 HB2 GLU A 14 83.819 2.686 -8.690 1.00 3.57 H new ATOM 0 HB3 GLU A 14 82.817 3.146 -10.052 1.00 3.57 H new ATOM 0 HG2 GLU A 14 83.778 5.190 -9.111 1.00 3.91 H new ATOM 0 HG3 GLU A 14 82.063 5.195 -8.754 1.00 3.91 H new ATOM 222 N GLU A 15 80.686 1.494 -10.228 1.00 2.73 N ATOM 223 CA GLU A 15 79.602 1.288 -11.231 1.00 2.59 C ATOM 224 C GLU A 15 78.280 0.978 -10.523 1.00 2.19 C ATOM 225 O GLU A 15 77.223 1.393 -10.952 1.00 2.08 O ATOM 226 CB GLU A 15 80.058 0.090 -12.068 1.00 3.01 C ATOM 227 CG GLU A 15 80.233 -1.131 -11.164 1.00 3.67 C ATOM 228 CD GLU A 15 80.691 -2.327 -12.001 1.00 4.32 C ATOM 229 OE1 GLU A 15 80.011 -2.645 -12.963 1.00 4.51 O ATOM 230 OE2 GLU A 15 81.712 -2.903 -11.667 1.00 4.98 O ATOM 0 H GLU A 15 81.498 0.887 -10.336 1.00 2.73 H new ATOM 0 HA GLU A 15 79.433 2.172 -11.845 1.00 2.59 H new ATOM 0 HB2 GLU A 15 79.325 -0.123 -12.846 1.00 3.01 H new ATOM 0 HB3 GLU A 15 80.998 0.321 -12.570 1.00 3.01 H new ATOM 0 HG2 GLU A 15 80.965 -0.918 -10.385 1.00 3.67 H new ATOM 0 HG3 GLU A 15 79.293 -1.363 -10.663 1.00 3.67 H new ATOM 237 N GLN A 16 78.333 0.251 -9.441 1.00 2.04 N ATOM 238 CA GLN A 16 77.079 -0.084 -8.706 1.00 1.73 C ATOM 239 C GLN A 16 76.435 1.189 -8.151 1.00 1.35 C ATOM 240 O GLN A 16 75.411 1.636 -8.628 1.00 1.17 O ATOM 241 CB GLN A 16 77.518 -1.006 -7.567 1.00 1.74 C ATOM 242 CG GLN A 16 76.282 -1.591 -6.881 1.00 2.16 C ATOM 243 CD GLN A 16 75.831 -2.848 -7.627 1.00 2.30 C ATOM 244 OE1 GLN A 16 76.305 -3.934 -7.354 1.00 3.06 O ATOM 245 NE2 GLN A 16 74.927 -2.748 -8.563 1.00 2.19 N ATOM 0 H GLN A 16 79.189 -0.126 -9.034 1.00 2.04 H new ATOM 0 HA GLN A 16 76.338 -0.559 -9.350 1.00 1.73 H new ATOM 0 HB2 GLN A 16 78.146 -1.808 -7.955 1.00 1.74 H new ATOM 0 HB3 GLN A 16 78.119 -0.451 -6.846 1.00 1.74 H new ATOM 0 HG2 GLN A 16 76.510 -1.833 -5.843 1.00 2.16 H new ATOM 0 HG3 GLN A 16 75.478 -0.855 -6.868 1.00 2.16 H new ATOM 0 HE21 GLN A 16 74.529 -1.837 -8.792 1.00 2.19 H new ATOM 0 HE22 GLN A 16 74.618 -3.581 -9.065 1.00 2.19 H new ATOM 254 N LYS A 17 77.027 1.778 -7.149 1.00 1.41 N ATOM 255 CA LYS A 17 76.445 3.021 -6.570 1.00 1.21 C ATOM 256 C LYS A 17 76.019 3.970 -7.693 1.00 1.08 C ATOM 257 O LYS A 17 74.920 4.489 -7.698 1.00 0.97 O ATOM 258 CB LYS A 17 77.569 3.638 -5.739 1.00 1.52 C ATOM 259 CG LYS A 17 77.726 2.855 -4.433 1.00 2.28 C ATOM 260 CD LYS A 17 79.204 2.531 -4.208 1.00 2.64 C ATOM 261 CE LYS A 17 79.606 2.931 -2.786 1.00 2.74 C ATOM 262 NZ LYS A 17 81.089 3.055 -2.830 1.00 2.91 N ATOM 0 H LYS A 17 77.887 1.453 -6.707 1.00 1.41 H new ATOM 0 HA LYS A 17 75.559 2.823 -5.966 1.00 1.21 H new ATOM 0 HB2 LYS A 17 78.503 3.620 -6.301 1.00 1.52 H new ATOM 0 HB3 LYS A 17 77.346 4.683 -5.524 1.00 1.52 H new ATOM 0 HG2 LYS A 17 77.339 3.439 -3.598 1.00 2.28 H new ATOM 0 HG3 LYS A 17 77.143 1.935 -4.476 1.00 2.28 H new ATOM 0 HD2 LYS A 17 79.381 1.466 -4.361 1.00 2.64 H new ATOM 0 HD3 LYS A 17 79.818 3.064 -4.934 1.00 2.64 H new ATOM 0 HE2 LYS A 17 79.139 3.871 -2.493 1.00 2.74 H new ATOM 0 HE3 LYS A 17 79.293 2.180 -2.061 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 81.465 3.074 -1.860 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 81.490 2.243 -3.341 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 81.349 3.935 -3.319 1.00 2.91 H new ATOM 276 N ASN A 18 76.877 4.196 -8.651 1.00 1.19 N ATOM 277 CA ASN A 18 76.515 5.104 -9.776 1.00 1.13 C ATOM 278 C ASN A 18 75.174 4.675 -10.374 1.00 0.92 C ATOM 279 O ASN A 18 74.461 5.466 -10.959 1.00 0.77 O ATOM 280 CB ASN A 18 77.641 4.941 -10.799 1.00 1.38 C ATOM 281 CG ASN A 18 78.744 5.962 -10.511 1.00 1.81 C ATOM 282 OD1 ASN A 18 78.471 7.124 -10.292 1.00 1.98 O ATOM 283 ND2 ASN A 18 79.990 5.571 -10.502 1.00 2.51 N ATOM 0 H ASN A 18 77.812 3.791 -8.703 1.00 1.19 H new ATOM 0 HA ASN A 18 76.409 6.141 -9.459 1.00 1.13 H new ATOM 0 HB2 ASN A 18 78.046 3.930 -10.752 1.00 1.38 H new ATOM 0 HB3 ASN A 18 77.254 5.083 -11.808 1.00 1.38 H new ATOM 0 HD21 ASN A 18 80.734 6.242 -10.311 1.00 2.51 H new ATOM 0 HD22 ASN A 18 80.219 4.594 -10.686 1.00 2.51 H new ATOM 290 N GLU A 19 74.825 3.427 -10.222 1.00 1.02 N ATOM 291 CA GLU A 19 73.528 2.943 -10.770 1.00 0.98 C ATOM 292 C GLU A 19 72.404 3.221 -9.768 1.00 0.83 C ATOM 293 O GLU A 19 71.310 3.603 -10.135 1.00 0.82 O ATOM 294 CB GLU A 19 73.716 1.438 -10.964 1.00 1.25 C ATOM 295 CG GLU A 19 73.467 1.076 -12.429 1.00 1.54 C ATOM 296 CD GLU A 19 72.081 1.570 -12.849 1.00 2.01 C ATOM 297 OE1 GLU A 19 71.352 2.030 -11.985 1.00 2.60 O ATOM 298 OE2 GLU A 19 71.772 1.478 -14.025 1.00 2.48 O ATOM 0 H GLU A 19 75.383 2.721 -9.741 1.00 1.02 H new ATOM 0 HA GLU A 19 73.257 3.440 -11.702 1.00 0.98 H new ATOM 0 HB2 GLU A 19 74.725 1.147 -10.673 1.00 1.25 H new ATOM 0 HB3 GLU A 19 73.028 0.889 -10.321 1.00 1.25 H new ATOM 0 HG2 GLU A 19 74.232 1.527 -13.061 1.00 1.54 H new ATOM 0 HG3 GLU A 19 73.537 -0.003 -12.565 1.00 1.54 H new ATOM 305 N PHE A 20 72.669 3.036 -8.502 1.00 0.83 N ATOM 306 CA PHE A 20 71.621 3.295 -7.473 1.00 0.78 C ATOM 307 C PHE A 20 71.201 4.767 -7.512 1.00 0.69 C ATOM 308 O PHE A 20 70.077 5.112 -7.206 1.00 0.74 O ATOM 309 CB PHE A 20 72.290 2.967 -6.136 1.00 0.94 C ATOM 310 CG PHE A 20 72.144 1.492 -5.838 1.00 1.20 C ATOM 311 CD1 PHE A 20 72.825 0.549 -6.619 1.00 2.07 C ATOM 312 CD2 PHE A 20 71.331 1.069 -4.780 1.00 1.96 C ATOM 313 CE1 PHE A 20 72.694 -0.816 -6.339 1.00 2.93 C ATOM 314 CE2 PHE A 20 71.200 -0.297 -4.501 1.00 2.88 C ATOM 315 CZ PHE A 20 71.881 -1.239 -5.281 1.00 3.19 C ATOM 0 H PHE A 20 73.566 2.717 -8.136 1.00 0.83 H new ATOM 0 HA PHE A 20 70.723 2.700 -7.637 1.00 0.78 H new ATOM 0 HB2 PHE A 20 73.345 3.237 -6.171 1.00 0.94 H new ATOM 0 HB3 PHE A 20 71.837 3.555 -5.338 1.00 0.94 H new ATOM 0 HD1 PHE A 20 73.451 0.875 -7.437 1.00 2.07 H new ATOM 0 HD2 PHE A 20 70.805 1.796 -4.179 1.00 1.96 H new ATOM 0 HE1 PHE A 20 73.220 -1.543 -6.939 1.00 2.93 H new ATOM 0 HE2 PHE A 20 70.574 -0.624 -3.684 1.00 2.88 H new ATOM 0 HZ PHE A 20 71.779 -2.293 -5.066 1.00 3.19 H new ATOM 325 N LYS A 21 72.100 5.637 -7.886 1.00 0.73 N ATOM 326 CA LYS A 21 71.760 7.088 -7.945 1.00 0.83 C ATOM 327 C LYS A 21 70.542 7.313 -8.846 1.00 0.81 C ATOM 328 O LYS A 21 69.511 7.783 -8.406 1.00 0.97 O ATOM 329 CB LYS A 21 72.999 7.758 -8.542 1.00 1.00 C ATOM 330 CG LYS A 21 72.915 9.271 -8.338 1.00 1.37 C ATOM 331 CD LYS A 21 74.163 9.936 -8.923 1.00 1.81 C ATOM 332 CE LYS A 21 73.932 11.443 -9.039 1.00 2.52 C ATOM 333 NZ LYS A 21 75.250 12.003 -9.454 1.00 3.32 N ATOM 0 H LYS A 21 73.057 5.405 -8.154 1.00 0.73 H new ATOM 0 HA LYS A 21 71.507 7.493 -6.965 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.900 7.367 -8.069 1.00 1.00 H new ATOM 0 HB3 LYS A 21 73.072 7.528 -9.605 1.00 1.00 H new ATOM 0 HG2 LYS A 21 72.020 9.664 -8.821 1.00 1.37 H new ATOM 0 HG3 LYS A 21 72.832 9.501 -7.276 1.00 1.37 H new ATOM 0 HD2 LYS A 21 75.026 9.738 -8.287 1.00 1.81 H new ATOM 0 HD3 LYS A 21 74.386 9.515 -9.903 1.00 1.81 H new ATOM 0 HE2 LYS A 21 73.158 11.669 -9.773 1.00 2.52 H new ATOM 0 HE3 LYS A 21 73.604 11.867 -8.090 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 75.172 13.035 -9.555 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 75.965 11.778 -8.733 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 75.533 11.587 -10.364 1.00 3.32 H new ATOM 347 N ALA A 22 70.656 6.982 -10.102 1.00 0.78 N ATOM 348 CA ALA A 22 69.508 7.179 -11.034 1.00 0.87 C ATOM 349 C ALA A 22 68.238 6.539 -10.465 1.00 0.81 C ATOM 350 O ALA A 22 67.165 7.104 -10.533 1.00 0.83 O ATOM 351 CB ALA A 22 69.925 6.478 -12.328 1.00 0.97 C ATOM 0 H ALA A 22 71.494 6.583 -10.525 1.00 0.78 H new ATOM 0 HA ALA A 22 69.285 8.234 -11.191 1.00 0.87 H new ATOM 0 HB1 ALA A 22 69.131 6.578 -13.068 1.00 0.97 H new ATOM 0 HB2 ALA A 22 70.837 6.935 -12.711 1.00 0.97 H new ATOM 0 HB3 ALA A 22 70.104 5.422 -12.128 1.00 0.97 H new ATOM 357 N ALA A 23 68.350 5.364 -9.910 1.00 0.80 N ATOM 358 CA ALA A 23 67.146 4.690 -9.343 1.00 0.81 C ATOM 359 C ALA A 23 66.696 5.396 -8.063 1.00 0.74 C ATOM 360 O ALA A 23 65.526 5.425 -7.737 1.00 0.77 O ATOM 361 CB ALA A 23 67.599 3.262 -9.036 1.00 0.89 C ATOM 0 H ALA A 23 69.222 4.841 -9.824 1.00 0.80 H new ATOM 0 HA ALA A 23 66.300 4.711 -10.030 1.00 0.81 H new ATOM 0 HB1 ALA A 23 66.767 2.699 -8.614 1.00 0.89 H new ATOM 0 HB2 ALA A 23 67.934 2.781 -9.955 1.00 0.89 H new ATOM 0 HB3 ALA A 23 68.420 3.287 -8.320 1.00 0.89 H new ATOM 367 N PHE A 24 67.616 5.967 -7.337 1.00 0.71 N ATOM 368 CA PHE A 24 67.243 6.672 -6.078 1.00 0.72 C ATOM 369 C PHE A 24 66.245 7.793 -6.378 1.00 0.71 C ATOM 370 O PHE A 24 65.279 7.985 -5.667 1.00 0.73 O ATOM 371 CB PHE A 24 68.554 7.249 -5.544 1.00 0.82 C ATOM 372 CG PHE A 24 68.257 8.230 -4.436 1.00 1.04 C ATOM 373 CD1 PHE A 24 67.119 8.058 -3.637 1.00 1.81 C ATOM 374 CD2 PHE A 24 69.117 9.310 -4.205 1.00 1.51 C ATOM 375 CE1 PHE A 24 66.842 8.967 -2.609 1.00 2.09 C ATOM 376 CE2 PHE A 24 68.839 10.219 -3.178 1.00 1.88 C ATOM 377 CZ PHE A 24 67.702 10.046 -2.379 1.00 1.85 C ATOM 0 H PHE A 24 68.611 5.976 -7.561 1.00 0.71 H new ATOM 0 HA PHE A 24 66.767 6.008 -5.357 1.00 0.72 H new ATOM 0 HB2 PHE A 24 69.192 6.447 -5.173 1.00 0.82 H new ATOM 0 HB3 PHE A 24 69.099 7.745 -6.347 1.00 0.82 H new ATOM 0 HD1 PHE A 24 66.456 7.224 -3.814 1.00 1.81 H new ATOM 0 HD2 PHE A 24 69.995 9.442 -4.820 1.00 1.51 H new ATOM 0 HE1 PHE A 24 65.964 8.835 -1.994 1.00 2.09 H new ATOM 0 HE2 PHE A 24 69.501 11.054 -3.002 1.00 1.88 H new ATOM 0 HZ PHE A 24 67.489 10.746 -1.585 1.00 1.85 H new ATOM 387 N ASP A 25 66.473 8.536 -7.426 1.00 0.81 N ATOM 388 CA ASP A 25 65.540 9.648 -7.772 1.00 0.97 C ATOM 389 C ASP A 25 64.214 9.088 -8.295 1.00 1.04 C ATOM 390 O ASP A 25 63.244 9.804 -8.442 1.00 1.23 O ATOM 391 CB ASP A 25 66.257 10.436 -8.868 1.00 1.18 C ATOM 392 CG ASP A 25 67.166 11.488 -8.231 1.00 1.57 C ATOM 393 OD1 ASP A 25 67.893 11.138 -7.316 1.00 1.98 O ATOM 394 OD2 ASP A 25 67.120 12.626 -8.669 1.00 2.18 O ATOM 0 H ASP A 25 67.265 8.422 -8.059 1.00 0.81 H new ATOM 0 HA ASP A 25 65.301 10.270 -6.909 1.00 0.97 H new ATOM 0 HB2 ASP A 25 66.845 9.761 -9.490 1.00 1.18 H new ATOM 0 HB3 ASP A 25 65.528 10.917 -9.520 1.00 1.18 H new ATOM 399 N ILE A 26 64.165 7.816 -8.585 1.00 0.99 N ATOM 400 CA ILE A 26 62.902 7.219 -9.106 1.00 1.18 C ATOM 401 C ILE A 26 61.972 6.820 -7.956 1.00 1.09 C ATOM 402 O ILE A 26 60.765 6.864 -8.080 1.00 1.23 O ATOM 403 CB ILE A 26 63.346 5.986 -9.886 1.00 1.38 C ATOM 404 CG1 ILE A 26 64.118 6.439 -11.131 1.00 1.55 C ATOM 405 CG2 ILE A 26 62.111 5.179 -10.298 1.00 1.60 C ATOM 406 CD1 ILE A 26 64.139 5.318 -12.172 1.00 1.61 C ATOM 0 H ILE A 26 64.944 7.165 -8.484 1.00 0.99 H new ATOM 0 HA ILE A 26 62.344 7.922 -9.725 1.00 1.18 H new ATOM 0 HB ILE A 26 63.990 5.360 -9.268 1.00 1.38 H new ATOM 0 HG12 ILE A 26 63.653 7.330 -11.553 1.00 1.55 H new ATOM 0 HG13 ILE A 26 65.137 6.711 -10.858 1.00 1.55 H new ATOM 0 HG21 ILE A 26 62.423 4.296 -10.856 1.00 1.60 H new ATOM 0 HG22 ILE A 26 61.564 4.871 -9.407 1.00 1.60 H new ATOM 0 HG23 ILE A 26 61.466 5.795 -10.924 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.690 5.649 -13.052 1.00 1.61 H new ATOM 0 HD12 ILE A 26 64.625 4.438 -11.750 1.00 1.61 H new ATOM 0 HD13 ILE A 26 63.117 5.066 -12.456 1.00 1.61 H new ATOM 418 N PHE A 27 62.519 6.428 -6.839 1.00 0.94 N ATOM 419 CA PHE A 27 61.656 6.025 -5.694 1.00 0.95 C ATOM 420 C PHE A 27 61.167 7.266 -4.941 1.00 0.79 C ATOM 421 O PHE A 27 60.281 7.192 -4.114 1.00 0.87 O ATOM 422 CB PHE A 27 62.559 5.175 -4.801 1.00 1.05 C ATOM 423 CG PHE A 27 63.341 4.201 -5.650 1.00 1.28 C ATOM 424 CD1 PHE A 27 62.670 3.342 -6.528 1.00 1.97 C ATOM 425 CD2 PHE A 27 64.739 4.158 -5.562 1.00 1.67 C ATOM 426 CE1 PHE A 27 63.394 2.439 -7.315 1.00 2.24 C ATOM 427 CE2 PHE A 27 65.462 3.255 -6.350 1.00 1.91 C ATOM 428 CZ PHE A 27 64.790 2.396 -7.227 1.00 1.91 C ATOM 0 H PHE A 27 63.523 6.369 -6.670 1.00 0.94 H new ATOM 0 HA PHE A 27 60.769 5.478 -6.014 1.00 0.95 H new ATOM 0 HB2 PHE A 27 63.242 5.815 -4.243 1.00 1.05 H new ATOM 0 HB3 PHE A 27 61.959 4.634 -4.069 1.00 1.05 H new ATOM 0 HD1 PHE A 27 61.593 3.376 -6.598 1.00 1.97 H new ATOM 0 HD2 PHE A 27 65.258 4.821 -4.886 1.00 1.67 H new ATOM 0 HE1 PHE A 27 62.875 1.775 -7.991 1.00 2.24 H new ATOM 0 HE2 PHE A 27 66.539 3.221 -6.281 1.00 1.91 H new ATOM 0 HZ PHE A 27 65.349 1.700 -7.836 1.00 1.91 H new ATOM 438 N VAL A 28 61.745 8.403 -5.215 1.00 0.76 N ATOM 439 CA VAL A 28 61.325 9.644 -4.515 1.00 0.78 C ATOM 440 C VAL A 28 60.463 10.516 -5.432 1.00 0.97 C ATOM 441 O VAL A 28 60.240 11.680 -5.165 1.00 1.39 O ATOM 442 CB VAL A 28 62.636 10.348 -4.186 1.00 0.77 C ATOM 443 CG1 VAL A 28 63.581 9.367 -3.491 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.282 10.848 -5.479 1.00 1.34 C ATOM 0 H VAL A 28 62.493 8.524 -5.897 1.00 0.76 H new ATOM 0 HA VAL A 28 60.723 9.441 -3.629 1.00 0.78 H new ATOM 0 HB VAL A 28 62.440 11.193 -3.526 1.00 0.77 H new ATOM 0 HG11 VAL A 28 64.519 9.870 -3.256 1.00 1.33 H new ATOM 0 HG12 VAL A 28 63.120 9.008 -2.570 1.00 1.33 H new ATOM 0 HG13 VAL A 28 63.778 8.522 -4.151 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.220 11.352 -5.246 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.478 10.002 -6.138 1.00 1.34 H new ATOM 0 HG23 VAL A 28 62.609 11.546 -5.976 1.00 1.34 H new ATOM 454 N LEU A 29 59.977 9.966 -6.511 1.00 1.11 N ATOM 455 CA LEU A 29 59.133 10.773 -7.439 1.00 1.39 C ATOM 456 C LEU A 29 57.879 11.271 -6.715 1.00 1.56 C ATOM 457 O LEU A 29 57.180 12.144 -7.192 1.00 1.98 O ATOM 458 CB LEU A 29 58.759 9.814 -8.571 1.00 1.45 C ATOM 459 CG LEU A 29 59.671 10.064 -9.772 1.00 1.71 C ATOM 460 CD1 LEU A 29 60.005 8.733 -10.447 1.00 2.28 C ATOM 461 CD2 LEU A 29 58.958 10.975 -10.774 1.00 2.41 C ATOM 0 H LEU A 29 60.127 8.996 -6.790 1.00 1.11 H new ATOM 0 HA LEU A 29 59.654 11.655 -7.811 1.00 1.39 H new ATOM 0 HB2 LEU A 29 58.857 8.782 -8.235 1.00 1.45 H new ATOM 0 HB3 LEU A 29 57.717 9.959 -8.856 1.00 1.45 H new ATOM 0 HG LEU A 29 60.590 10.542 -9.434 1.00 1.71 H new ATOM 0 HD11 LEU A 29 60.655 8.912 -11.303 1.00 2.28 H new ATOM 0 HD12 LEU A 29 60.513 8.082 -9.736 1.00 2.28 H new ATOM 0 HD13 LEU A 29 59.085 8.255 -10.784 1.00 2.28 H new ATOM 0 HD21 LEU A 29 59.608 11.153 -11.630 1.00 2.41 H new ATOM 0 HD22 LEU A 29 58.038 10.497 -11.110 1.00 2.41 H new ATOM 0 HD23 LEU A 29 58.719 11.925 -10.296 1.00 2.41 H new ATOM 473 N GLY A 30 57.590 10.725 -5.565 1.00 1.92 N ATOM 474 CA GLY A 30 56.385 11.169 -4.810 1.00 2.16 C ATOM 475 C GLY A 30 56.809 11.695 -3.437 1.00 1.95 C ATOM 476 O GLY A 30 56.003 12.195 -2.677 1.00 2.01 O ATOM 0 H GLY A 30 58.137 9.990 -5.116 1.00 1.92 H new ATOM 0 HA2 GLY A 30 55.862 11.948 -5.364 1.00 2.16 H new ATOM 0 HA3 GLY A 30 55.689 10.338 -4.694 1.00 2.16 H new ATOM 480 N ALA A 31 58.068 11.587 -3.113 1.00 1.94 N ATOM 481 CA ALA A 31 58.542 12.081 -1.789 1.00 1.87 C ATOM 482 C ALA A 31 58.309 13.590 -1.672 1.00 2.03 C ATOM 483 O ALA A 31 57.707 14.201 -2.532 1.00 2.28 O ATOM 484 CB ALA A 31 60.038 11.763 -1.761 1.00 1.50 C ATOM 0 H ALA A 31 58.789 11.178 -3.707 1.00 1.94 H new ATOM 0 HA ALA A 31 58.011 11.615 -0.959 1.00 1.87 H new ATOM 0 HB1 ALA A 31 60.463 12.097 -0.815 1.00 1.50 H new ATOM 0 HB2 ALA A 31 60.183 10.688 -1.865 1.00 1.50 H new ATOM 0 HB3 ALA A 31 60.535 12.277 -2.584 1.00 1.50 H new ATOM 490 N GLU A 32 58.781 14.193 -0.616 1.00 2.22 N ATOM 491 CA GLU A 32 58.586 15.661 -0.447 1.00 2.52 C ATOM 492 C GLU A 32 59.942 16.366 -0.376 1.00 2.19 C ATOM 493 O GLU A 32 60.102 17.477 -0.843 1.00 2.44 O ATOM 494 CB GLU A 32 57.833 15.810 0.876 1.00 3.02 C ATOM 495 CG GLU A 32 56.368 15.419 0.677 1.00 3.65 C ATOM 496 CD GLU A 32 55.930 14.484 1.807 1.00 4.03 C ATOM 497 OE1 GLU A 32 55.497 14.987 2.830 1.00 4.34 O ATOM 498 OE2 GLU A 32 56.036 13.281 1.629 1.00 4.40 O ATOM 0 H GLU A 32 59.293 13.733 0.137 1.00 2.22 H new ATOM 0 HA GLU A 32 58.039 16.106 -1.278 1.00 2.52 H new ATOM 0 HB2 GLU A 32 58.288 15.178 1.639 1.00 3.02 H new ATOM 0 HB3 GLU A 32 57.901 16.838 1.231 1.00 3.02 H new ATOM 0 HG2 GLU A 32 55.741 16.311 0.665 1.00 3.65 H new ATOM 0 HG3 GLU A 32 56.240 14.926 -0.287 1.00 3.65 H new ATOM 505 N ASP A 33 60.922 15.728 0.202 1.00 1.88 N ATOM 506 CA ASP A 33 62.269 16.358 0.302 1.00 1.82 C ATOM 507 C ASP A 33 63.263 15.621 -0.600 1.00 1.49 C ATOM 508 O ASP A 33 64.351 16.096 -0.860 1.00 1.70 O ATOM 509 CB ASP A 33 62.668 16.214 1.771 1.00 2.02 C ATOM 510 CG ASP A 33 62.681 14.734 2.158 1.00 2.43 C ATOM 511 OD1 ASP A 33 62.624 13.906 1.265 1.00 2.98 O ATOM 512 OD2 ASP A 33 62.748 14.454 3.344 1.00 2.79 O ATOM 0 H ASP A 33 60.848 14.796 0.610 1.00 1.88 H new ATOM 0 HA ASP A 33 62.262 17.401 -0.016 1.00 1.82 H new ATOM 0 HB2 ASP A 33 63.653 16.652 1.935 1.00 2.02 H new ATOM 0 HB3 ASP A 33 61.967 16.759 2.403 1.00 2.02 H new ATOM 517 N GLY A 34 62.897 14.464 -1.081 1.00 1.25 N ATOM 518 CA GLY A 34 63.819 13.698 -1.966 1.00 1.06 C ATOM 519 C GLY A 34 64.322 12.454 -1.232 1.00 0.97 C ATOM 520 O GLY A 34 65.506 12.180 -1.192 1.00 1.19 O ATOM 0 H GLY A 34 61.999 14.016 -0.899 1.00 1.25 H new ATOM 0 HA2 GLY A 34 63.303 13.408 -2.881 1.00 1.06 H new ATOM 0 HA3 GLY A 34 64.661 14.325 -2.259 1.00 1.06 H new ATOM 524 N CYS A 35 63.434 11.696 -0.653 1.00 0.83 N ATOM 525 CA CYS A 35 63.860 10.465 0.076 1.00 0.79 C ATOM 526 C CYS A 35 63.079 9.256 -0.442 1.00 0.72 C ATOM 527 O CYS A 35 62.163 9.389 -1.230 1.00 0.75 O ATOM 528 CB CYS A 35 63.517 10.731 1.542 1.00 0.83 C ATOM 529 SG CYS A 35 64.880 11.624 2.329 1.00 1.87 S ATOM 0 H CYS A 35 62.430 11.874 -0.652 1.00 0.83 H new ATOM 0 HA CYS A 35 64.920 10.249 -0.061 1.00 0.79 H new ATOM 0 HB2 CYS A 35 62.598 11.314 1.612 1.00 0.83 H new ATOM 0 HB3 CYS A 35 63.337 9.789 2.061 1.00 0.83 H new ATOM 0 HG CYS A 35 64.587 11.852 3.575 1.00 1.87 H new ATOM 535 N ILE A 36 63.428 8.080 -0.003 1.00 0.68 N ATOM 536 CA ILE A 36 62.695 6.866 -0.469 1.00 0.69 C ATOM 537 C ILE A 36 61.906 6.271 0.701 1.00 0.78 C ATOM 538 O ILE A 36 62.210 5.201 1.190 1.00 0.91 O ATOM 539 CB ILE A 36 63.769 5.883 -0.959 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.971 6.648 -1.528 1.00 0.65 C ATOM 541 CG2 ILE A 36 63.179 4.998 -2.059 1.00 0.65 C ATOM 542 CD1 ILE A 36 66.070 5.657 -1.918 1.00 0.76 C ATOM 0 H ILE A 36 64.186 7.905 0.656 1.00 0.68 H new ATOM 0 HA ILE A 36 61.985 7.092 -1.265 1.00 0.69 H new ATOM 0 HB ILE A 36 64.098 5.272 -0.118 1.00 0.66 H new ATOM 0 HG12 ILE A 36 64.666 7.230 -2.398 1.00 0.65 H new ATOM 0 HG13 ILE A 36 65.349 7.354 -0.789 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.938 4.299 -2.410 1.00 0.65 H new ATOM 0 HG22 ILE A 36 62.329 4.442 -1.662 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.849 5.622 -2.890 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.924 6.201 -2.322 1.00 0.76 H new ATOM 0 HD12 ILE A 36 66.382 5.095 -1.038 1.00 0.76 H new ATOM 0 HD13 ILE A 36 65.688 4.969 -2.672 1.00 0.76 H new ATOM 554 N SER A 37 60.900 6.968 1.156 1.00 0.79 N ATOM 555 CA SER A 37 60.087 6.464 2.301 1.00 0.91 C ATOM 556 C SER A 37 59.812 4.966 2.151 1.00 0.85 C ATOM 557 O SER A 37 60.028 4.384 1.106 1.00 0.92 O ATOM 558 CB SER A 37 58.782 7.258 2.236 1.00 1.09 C ATOM 559 OG SER A 37 57.679 6.366 2.343 1.00 1.94 O ATOM 0 H SER A 37 60.605 7.870 0.782 1.00 0.79 H new ATOM 0 HA SER A 37 60.600 6.592 3.254 1.00 0.91 H new ATOM 0 HB2 SER A 37 58.750 7.992 3.041 1.00 1.09 H new ATOM 0 HB3 SER A 37 58.727 7.811 1.298 1.00 1.09 H new ATOM 0 HG SER A 37 56.842 6.874 2.303 1.00 1.94 H new ATOM 565 N THR A 38 59.335 4.338 3.192 1.00 0.88 N ATOM 566 CA THR A 38 59.042 2.879 3.116 1.00 1.02 C ATOM 567 C THR A 38 57.913 2.623 2.114 1.00 1.13 C ATOM 568 O THR A 38 57.913 1.634 1.409 1.00 1.48 O ATOM 569 CB THR A 38 58.609 2.488 4.529 1.00 1.12 C ATOM 570 OG1 THR A 38 58.374 1.087 4.581 1.00 1.47 O ATOM 571 CG2 THR A 38 57.330 3.237 4.893 1.00 1.25 C ATOM 0 H THR A 38 59.136 4.774 4.092 1.00 0.88 H new ATOM 0 HA THR A 38 59.902 2.299 2.781 1.00 1.02 H new ATOM 0 HB THR A 38 59.395 2.749 5.238 1.00 1.12 H new ATOM 0 HG1 THR A 38 58.098 0.835 5.487 1.00 1.47 H new ATOM 0 HG21 THR A 38 57.020 2.959 5.900 1.00 1.25 H new ATOM 0 HG22 THR A 38 57.513 4.311 4.853 1.00 1.25 H new ATOM 0 HG23 THR A 38 56.542 2.977 4.186 1.00 1.25 H new ATOM 579 N LYS A 39 56.955 3.506 2.041 1.00 1.09 N ATOM 580 CA LYS A 39 55.836 3.307 1.077 1.00 1.33 C ATOM 581 C LYS A 39 56.397 3.099 -0.331 1.00 1.20 C ATOM 582 O LYS A 39 55.959 2.235 -1.065 1.00 1.45 O ATOM 583 CB LYS A 39 55.014 4.594 1.141 1.00 1.57 C ATOM 584 CG LYS A 39 53.770 4.447 0.264 1.00 2.27 C ATOM 585 CD LYS A 39 53.988 5.177 -1.063 1.00 2.86 C ATOM 586 CE LYS A 39 52.704 5.909 -1.460 1.00 3.52 C ATOM 587 NZ LYS A 39 52.993 6.496 -2.799 1.00 4.37 N ATOM 0 H LYS A 39 56.899 4.354 2.605 1.00 1.09 H new ATOM 0 HA LYS A 39 55.232 2.432 1.318 1.00 1.33 H new ATOM 0 HB2 LYS A 39 54.724 4.802 2.171 1.00 1.57 H new ATOM 0 HB3 LYS A 39 55.614 5.439 0.802 1.00 1.57 H new ATOM 0 HG2 LYS A 39 53.564 3.392 0.081 1.00 2.27 H new ATOM 0 HG3 LYS A 39 52.900 4.857 0.777 1.00 2.27 H new ATOM 0 HD2 LYS A 39 54.810 5.887 -0.969 1.00 2.86 H new ATOM 0 HD3 LYS A 39 54.269 4.466 -1.840 1.00 2.86 H new ATOM 0 HE2 LYS A 39 51.857 5.224 -1.504 1.00 3.52 H new ATOM 0 HE3 LYS A 39 52.451 6.683 -0.736 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 52.158 7.015 -3.138 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 53.800 7.148 -2.725 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 53.224 5.735 -3.469 1.00 4.37 H new ATOM 601 N GLU A 40 57.368 3.885 -0.710 1.00 0.96 N ATOM 602 CA GLU A 40 57.962 3.732 -2.068 1.00 0.95 C ATOM 603 C GLU A 40 59.130 2.742 -2.023 1.00 0.84 C ATOM 604 O GLU A 40 60.096 2.874 -2.746 1.00 0.95 O ATOM 605 CB GLU A 40 58.457 5.129 -2.444 1.00 1.08 C ATOM 606 CG GLU A 40 57.329 6.141 -2.244 1.00 1.33 C ATOM 607 CD GLU A 40 57.328 7.141 -3.402 1.00 1.85 C ATOM 608 OE1 GLU A 40 57.263 6.700 -4.538 1.00 1.99 O ATOM 609 OE2 GLU A 40 57.395 8.328 -3.134 1.00 2.70 O ATOM 0 H GLU A 40 57.775 4.625 -0.139 1.00 0.96 H new ATOM 0 HA GLU A 40 57.245 3.346 -2.793 1.00 0.95 H new ATOM 0 HB2 GLU A 40 59.316 5.400 -1.830 1.00 1.08 H new ATOM 0 HB3 GLU A 40 58.791 5.141 -3.482 1.00 1.08 H new ATOM 0 HG2 GLU A 40 56.369 5.626 -2.193 1.00 1.33 H new ATOM 0 HG3 GLU A 40 57.460 6.665 -1.297 1.00 1.33 H new ATOM 616 N LEU A 41 59.046 1.751 -1.178 1.00 0.81 N ATOM 617 CA LEU A 41 60.150 0.753 -1.086 1.00 0.75 C ATOM 618 C LEU A 41 59.645 -0.628 -1.509 1.00 0.77 C ATOM 619 O LEU A 41 60.334 -1.375 -2.175 1.00 0.77 O ATOM 620 CB LEU A 41 60.564 0.752 0.387 1.00 0.82 C ATOM 621 CG LEU A 41 61.710 -0.241 0.609 1.00 0.89 C ATOM 622 CD1 LEU A 41 61.156 -1.667 0.621 1.00 1.10 C ATOM 623 CD2 LEU A 41 62.740 -0.105 -0.517 1.00 1.20 C ATOM 0 H LEU A 41 58.261 1.589 -0.547 1.00 0.81 H new ATOM 0 HA LEU A 41 60.987 0.998 -1.740 1.00 0.75 H new ATOM 0 HB2 LEU A 41 60.876 1.753 0.686 1.00 0.82 H new ATOM 0 HB3 LEU A 41 59.713 0.483 1.012 1.00 0.82 H new ATOM 0 HG LEU A 41 62.189 -0.027 1.564 1.00 0.89 H new ATOM 0 HD11 LEU A 41 61.971 -2.373 0.779 1.00 1.10 H new ATOM 0 HD12 LEU A 41 60.428 -1.768 1.426 1.00 1.10 H new ATOM 0 HD13 LEU A 41 60.673 -1.878 -0.333 1.00 1.10 H new ATOM 0 HD21 LEU A 41 63.553 -0.813 -0.354 1.00 1.20 H new ATOM 0 HD22 LEU A 41 62.262 -0.314 -1.474 1.00 1.20 H new ATOM 0 HD23 LEU A 41 63.139 0.909 -0.525 1.00 1.20 H new ATOM 635 N GLY A 42 58.445 -0.974 -1.130 1.00 0.88 N ATOM 636 CA GLY A 42 57.897 -2.304 -1.517 1.00 1.02 C ATOM 637 C GLY A 42 57.839 -2.405 -3.042 1.00 0.99 C ATOM 638 O GLY A 42 58.601 -3.126 -3.655 1.00 1.11 O ATOM 0 H GLY A 42 57.821 -0.393 -0.570 1.00 0.88 H new ATOM 0 HA2 GLY A 42 58.523 -3.099 -1.112 1.00 1.02 H new ATOM 0 HA3 GLY A 42 56.901 -2.436 -1.095 1.00 1.02 H new ATOM 642 N LYS A 43 56.944 -1.684 -3.661 1.00 0.91 N ATOM 643 CA LYS A 43 56.844 -1.737 -5.149 1.00 1.00 C ATOM 644 C LYS A 43 58.233 -1.566 -5.767 1.00 0.84 C ATOM 645 O LYS A 43 58.593 -2.245 -6.708 1.00 0.89 O ATOM 646 CB LYS A 43 55.938 -0.566 -5.531 1.00 1.12 C ATOM 647 CG LYS A 43 54.473 -0.964 -5.327 1.00 1.32 C ATOM 648 CD LYS A 43 53.987 -0.455 -3.968 1.00 1.85 C ATOM 649 CE LYS A 43 52.473 -0.649 -3.861 1.00 2.24 C ATOM 650 NZ LYS A 43 51.990 0.531 -3.092 1.00 2.80 N ATOM 0 H LYS A 43 56.279 -1.062 -3.203 1.00 0.91 H new ATOM 0 HA LYS A 43 56.446 -2.687 -5.506 1.00 1.00 H new ATOM 0 HB2 LYS A 43 56.177 0.306 -4.922 1.00 1.12 H new ATOM 0 HB3 LYS A 43 56.108 -0.285 -6.570 1.00 1.12 H new ATOM 0 HG2 LYS A 43 53.858 -0.547 -6.124 1.00 1.32 H new ATOM 0 HG3 LYS A 43 54.369 -2.048 -5.379 1.00 1.32 H new ATOM 0 HD2 LYS A 43 54.491 -0.993 -3.165 1.00 1.85 H new ATOM 0 HD3 LYS A 43 54.238 0.599 -3.852 1.00 1.85 H new ATOM 0 HE2 LYS A 43 52.010 -0.695 -4.847 1.00 2.24 H new ATOM 0 HE3 LYS A 43 52.229 -1.581 -3.350 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 50.958 0.471 -2.976 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 52.443 0.545 -2.156 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 52.231 1.403 -3.606 1.00 2.80 H new ATOM 664 N VAL A 44 59.018 -0.669 -5.237 1.00 0.75 N ATOM 665 CA VAL A 44 60.388 -0.460 -5.786 1.00 0.68 C ATOM 666 C VAL A 44 61.177 -1.769 -5.726 1.00 0.68 C ATOM 667 O VAL A 44 61.841 -2.152 -6.668 1.00 0.76 O ATOM 668 CB VAL A 44 61.023 0.588 -4.873 1.00 0.72 C ATOM 669 CG1 VAL A 44 62.522 0.678 -5.163 1.00 1.10 C ATOM 670 CG2 VAL A 44 60.373 1.947 -5.130 1.00 1.70 C ATOM 0 H VAL A 44 58.771 -0.072 -4.448 1.00 0.75 H new ATOM 0 HA VAL A 44 60.375 -0.139 -6.827 1.00 0.68 H new ATOM 0 HB VAL A 44 60.871 0.302 -3.832 1.00 0.72 H new ATOM 0 HG11 VAL A 44 62.974 1.426 -4.512 1.00 1.10 H new ATOM 0 HG12 VAL A 44 62.987 -0.291 -4.981 1.00 1.10 H new ATOM 0 HG13 VAL A 44 62.675 0.964 -6.204 1.00 1.10 H new ATOM 0 HG21 VAL A 44 60.825 2.695 -4.479 1.00 1.70 H new ATOM 0 HG22 VAL A 44 60.525 2.232 -6.171 1.00 1.70 H new ATOM 0 HG23 VAL A 44 59.305 1.884 -4.923 1.00 1.70 H new ATOM 680 N MET A 45 61.105 -2.457 -4.621 1.00 0.79 N ATOM 681 CA MET A 45 61.846 -3.745 -4.492 1.00 0.99 C ATOM 682 C MET A 45 61.377 -4.729 -5.566 1.00 1.03 C ATOM 683 O MET A 45 62.116 -5.591 -5.998 1.00 1.16 O ATOM 684 CB MET A 45 61.494 -4.264 -3.098 1.00 1.26 C ATOM 685 CG MET A 45 62.565 -3.821 -2.099 1.00 1.54 C ATOM 686 SD MET A 45 63.852 -5.090 -1.992 1.00 2.11 S ATOM 687 CE MET A 45 65.204 -4.003 -1.476 1.00 1.74 C ATOM 0 H MET A 45 60.565 -2.184 -3.800 1.00 0.79 H new ATOM 0 HA MET A 45 62.921 -3.621 -4.621 1.00 0.99 H new ATOM 0 HB2 MET A 45 60.519 -3.884 -2.793 1.00 1.26 H new ATOM 0 HB3 MET A 45 61.423 -5.352 -3.111 1.00 1.26 H new ATOM 0 HG2 MET A 45 63.000 -2.872 -2.413 1.00 1.54 H new ATOM 0 HG3 MET A 45 62.118 -3.658 -1.118 1.00 1.54 H new ATOM 0 HE1 MET A 45 66.114 -4.589 -1.349 1.00 1.74 H new ATOM 0 HE2 MET A 45 65.368 -3.240 -2.237 1.00 1.74 H new ATOM 0 HE3 MET A 45 64.946 -3.524 -0.531 1.00 1.74 H new ATOM 697 N ARG A 46 60.152 -4.607 -5.997 1.00 1.05 N ATOM 698 CA ARG A 46 59.633 -5.534 -7.043 1.00 1.22 C ATOM 699 C ARG A 46 60.320 -5.255 -8.382 1.00 1.26 C ATOM 700 O ARG A 46 60.738 -6.159 -9.077 1.00 1.51 O ATOM 701 CB ARG A 46 58.137 -5.230 -7.132 1.00 1.28 C ATOM 702 CG ARG A 46 57.467 -5.561 -5.797 1.00 1.46 C ATOM 703 CD ARG A 46 57.189 -7.064 -5.725 1.00 1.98 C ATOM 704 NE ARG A 46 56.651 -7.290 -4.355 1.00 2.34 N ATOM 705 CZ ARG A 46 55.466 -7.812 -4.196 1.00 2.82 C ATOM 706 NH1 ARG A 46 54.995 -8.644 -5.084 1.00 3.34 N ATOM 707 NH2 ARG A 46 54.752 -7.503 -3.148 1.00 3.26 N ATOM 0 H ARG A 46 59.487 -3.906 -5.670 1.00 1.05 H new ATOM 0 HA ARG A 46 59.822 -6.580 -6.802 1.00 1.22 H new ATOM 0 HB2 ARG A 46 57.983 -4.179 -7.377 1.00 1.28 H new ATOM 0 HB3 ARG A 46 57.684 -5.814 -7.933 1.00 1.28 H new ATOM 0 HG2 ARG A 46 58.110 -5.259 -4.970 1.00 1.46 H new ATOM 0 HG3 ARG A 46 56.536 -5.003 -5.697 1.00 1.46 H new ATOM 0 HD2 ARG A 46 56.471 -7.370 -6.486 1.00 1.98 H new ATOM 0 HD3 ARG A 46 58.098 -7.642 -5.893 1.00 1.98 H new ATOM 0 HE ARG A 46 57.210 -7.036 -3.540 1.00 2.34 H new ATOM 0 HH11 ARG A 46 55.553 -8.886 -5.903 1.00 3.34 H new ATOM 0 HH12 ARG A 46 54.069 -9.052 -4.960 1.00 3.34 H new ATOM 0 HH21 ARG A 46 55.121 -6.853 -2.453 1.00 3.26 H new ATOM 0 HH22 ARG A 46 53.826 -7.911 -3.024 1.00 3.26 H new ATOM 721 N MET A 47 60.439 -4.007 -8.750 1.00 1.11 N ATOM 722 CA MET A 47 61.098 -3.671 -10.045 1.00 1.26 C ATOM 723 C MET A 47 62.620 -3.784 -9.914 1.00 1.19 C ATOM 724 O MET A 47 63.310 -4.118 -10.857 1.00 1.31 O ATOM 725 CB MET A 47 60.691 -2.226 -10.337 1.00 1.28 C ATOM 726 CG MET A 47 61.221 -1.312 -9.231 1.00 1.46 C ATOM 727 SD MET A 47 61.033 0.417 -9.736 1.00 1.99 S ATOM 728 CE MET A 47 62.743 0.686 -10.267 1.00 2.19 C ATOM 0 H MET A 47 60.109 -3.207 -8.210 1.00 1.11 H new ATOM 0 HA MET A 47 60.799 -4.348 -10.845 1.00 1.26 H new ATOM 0 HB2 MET A 47 61.088 -1.913 -11.303 1.00 1.28 H new ATOM 0 HB3 MET A 47 59.606 -2.148 -10.398 1.00 1.28 H new ATOM 0 HG2 MET A 47 60.677 -1.492 -8.304 1.00 1.46 H new ATOM 0 HG3 MET A 47 62.270 -1.533 -9.034 1.00 1.46 H new ATOM 0 HE1 MET A 47 62.893 1.742 -10.490 1.00 2.19 H new ATOM 0 HE2 MET A 47 63.423 0.383 -9.471 1.00 2.19 H new ATOM 0 HE3 MET A 47 62.944 0.095 -11.161 1.00 2.19 H new ATOM 738 N LEU A 48 63.149 -3.510 -8.753 1.00 1.09 N ATOM 739 CA LEU A 48 64.626 -3.604 -8.569 1.00 1.18 C ATOM 740 C LEU A 48 65.090 -5.049 -8.768 1.00 1.51 C ATOM 741 O LEU A 48 66.218 -5.302 -9.141 1.00 1.89 O ATOM 742 CB LEU A 48 64.878 -3.153 -7.130 1.00 1.18 C ATOM 743 CG LEU A 48 65.713 -1.871 -7.136 1.00 1.35 C ATOM 744 CD1 LEU A 48 65.460 -1.087 -5.847 1.00 2.05 C ATOM 745 CD2 LEU A 48 67.198 -2.231 -7.231 1.00 1.70 C ATOM 0 H LEU A 48 62.624 -3.226 -7.926 1.00 1.09 H new ATOM 0 HA LEU A 48 65.172 -2.992 -9.287 1.00 1.18 H new ATOM 0 HB2 LEU A 48 63.930 -2.980 -6.621 1.00 1.18 H new ATOM 0 HB3 LEU A 48 65.398 -3.936 -6.578 1.00 1.18 H new ATOM 0 HG LEU A 48 65.430 -1.259 -7.993 1.00 1.35 H new ATOM 0 HD11 LEU A 48 66.056 -0.174 -5.853 1.00 2.05 H new ATOM 0 HD12 LEU A 48 64.403 -0.830 -5.779 1.00 2.05 H new ATOM 0 HD13 LEU A 48 65.741 -1.697 -4.989 1.00 2.05 H new ATOM 0 HD21 LEU A 48 67.794 -1.318 -7.235 1.00 1.70 H new ATOM 0 HD22 LEU A 48 67.479 -2.844 -6.375 1.00 1.70 H new ATOM 0 HD23 LEU A 48 67.379 -2.787 -8.151 1.00 1.70 H new ATOM 757 N GLY A 49 64.227 -5.996 -8.523 1.00 1.56 N ATOM 758 CA GLY A 49 64.619 -7.423 -8.700 1.00 1.97 C ATOM 759 C GLY A 49 64.364 -8.194 -7.402 1.00 1.69 C ATOM 760 O GLY A 49 64.610 -9.381 -7.318 1.00 1.87 O ATOM 0 H GLY A 49 63.269 -5.844 -8.208 1.00 1.56 H new ATOM 0 HA2 GLY A 49 64.050 -7.868 -9.516 1.00 1.97 H new ATOM 0 HA3 GLY A 49 65.672 -7.490 -8.973 1.00 1.97 H new ATOM 764 N GLN A 50 63.876 -7.532 -6.388 1.00 1.38 N ATOM 765 CA GLN A 50 63.614 -8.235 -5.098 1.00 1.26 C ATOM 766 C GLN A 50 62.113 -8.472 -4.909 1.00 1.19 C ATOM 767 O GLN A 50 61.295 -7.971 -5.655 1.00 1.25 O ATOM 768 CB GLN A 50 64.141 -7.290 -4.018 1.00 1.39 C ATOM 769 CG GLN A 50 65.665 -7.395 -3.948 1.00 1.69 C ATOM 770 CD GLN A 50 66.288 -6.082 -4.424 1.00 2.12 C ATOM 771 OE1 GLN A 50 65.591 -5.115 -4.660 1.00 2.58 O ATOM 772 NE2 GLN A 50 67.581 -6.006 -4.577 1.00 2.76 N ATOM 0 H GLN A 50 63.648 -6.538 -6.396 1.00 1.38 H new ATOM 0 HA GLN A 50 64.095 -9.212 -5.062 1.00 1.26 H new ATOM 0 HB2 GLN A 50 63.846 -6.265 -4.242 1.00 1.39 H new ATOM 0 HB3 GLN A 50 63.704 -7.544 -3.052 1.00 1.39 H new ATOM 0 HG2 GLN A 50 65.979 -7.610 -2.927 1.00 1.69 H new ATOM 0 HG3 GLN A 50 66.012 -8.221 -4.569 1.00 1.69 H new ATOM 0 HE21 GLN A 50 68.167 -6.817 -4.379 1.00 2.76 H new ATOM 0 HE22 GLN A 50 68.007 -5.135 -4.895 1.00 2.76 H new ATOM 781 N ASN A 51 61.748 -9.228 -3.911 1.00 1.22 N ATOM 782 CA ASN A 51 60.303 -9.499 -3.661 1.00 1.29 C ATOM 783 C ASN A 51 60.052 -9.642 -2.158 1.00 1.25 C ATOM 784 O ASN A 51 59.638 -10.686 -1.693 1.00 1.41 O ATOM 785 CB ASN A 51 60.014 -10.817 -4.381 1.00 1.54 C ATOM 786 CG ASN A 51 60.811 -11.944 -3.721 1.00 1.88 C ATOM 787 OD1 ASN A 51 60.296 -12.659 -2.885 1.00 2.25 O ATOM 788 ND2 ASN A 51 62.056 -12.134 -4.062 1.00 2.57 N ATOM 0 H ASN A 51 62.390 -9.672 -3.255 1.00 1.22 H new ATOM 0 HA ASN A 51 59.662 -8.694 -4.019 1.00 1.29 H new ATOM 0 HB2 ASN A 51 58.948 -11.039 -4.341 1.00 1.54 H new ATOM 0 HB3 ASN A 51 60.283 -10.735 -5.434 1.00 1.54 H new ATOM 0 HD21 ASN A 51 62.596 -12.882 -3.627 1.00 2.57 H new ATOM 0 HD22 ASN A 51 62.490 -11.534 -4.764 1.00 2.57 H new ATOM 795 N PRO A 52 60.316 -8.580 -1.448 1.00 1.15 N ATOM 796 CA PRO A 52 60.124 -8.576 0.023 1.00 1.20 C ATOM 797 C PRO A 52 58.633 -8.587 0.371 1.00 1.33 C ATOM 798 O PRO A 52 57.784 -8.524 -0.496 1.00 1.45 O ATOM 799 CB PRO A 52 60.780 -7.270 0.466 1.00 1.19 C ATOM 800 CG PRO A 52 60.736 -6.389 -0.741 1.00 1.20 C ATOM 801 CD PRO A 52 60.812 -7.292 -1.944 1.00 1.14 C ATOM 0 HA PRO A 52 60.553 -9.450 0.513 1.00 1.20 H new ATOM 0 HB2 PRO A 52 60.243 -6.822 1.302 1.00 1.19 H new ATOM 0 HB3 PRO A 52 61.805 -7.435 0.797 1.00 1.19 H new ATOM 0 HG2 PRO A 52 59.818 -5.801 -0.757 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.567 -5.683 -0.735 1.00 1.20 H new ATOM 0 HD2 PRO A 52 60.200 -6.917 -2.765 1.00 1.14 H new ATOM 0 HD3 PRO A 52 61.832 -7.374 -2.319 1.00 1.14 H new ATOM 809 N THR A 53 58.310 -8.669 1.633 1.00 1.39 N ATOM 810 CA THR A 53 56.875 -8.686 2.038 1.00 1.58 C ATOM 811 C THR A 53 56.455 -7.307 2.555 1.00 1.47 C ATOM 812 O THR A 53 57.284 -6.445 2.767 1.00 1.27 O ATOM 813 CB THR A 53 56.793 -9.726 3.157 1.00 1.77 C ATOM 814 OG1 THR A 53 58.075 -9.885 3.749 1.00 1.69 O ATOM 815 CG2 THR A 53 56.327 -11.063 2.579 1.00 1.97 C ATOM 0 H THR A 53 58.978 -8.725 2.402 1.00 1.39 H new ATOM 0 HA THR A 53 56.213 -8.928 1.206 1.00 1.58 H new ATOM 0 HB THR A 53 56.083 -9.392 3.913 1.00 1.77 H new ATOM 0 HG1 THR A 53 58.112 -10.741 4.225 1.00 1.69 H new ATOM 0 HG21 THR A 53 56.269 -11.804 3.377 1.00 1.97 H new ATOM 0 HG22 THR A 53 55.344 -10.940 2.125 1.00 1.97 H new ATOM 0 HG23 THR A 53 57.036 -11.399 1.823 1.00 1.97 H new ATOM 823 N PRO A 54 55.174 -7.150 2.739 1.00 1.64 N ATOM 824 CA PRO A 54 54.627 -5.863 3.236 1.00 1.63 C ATOM 825 C PRO A 54 54.945 -5.685 4.725 1.00 1.55 C ATOM 826 O PRO A 54 55.241 -4.599 5.181 1.00 1.47 O ATOM 827 CB PRO A 54 53.125 -6.002 3.013 1.00 1.92 C ATOM 828 CG PRO A 54 52.868 -7.476 3.007 1.00 2.08 C ATOM 829 CD PRO A 54 54.122 -8.143 2.504 1.00 1.93 C ATOM 0 HA PRO A 54 55.049 -4.994 2.730 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.561 -5.507 3.803 1.00 1.92 H new ATOM 0 HB3 PRO A 54 52.822 -5.545 2.071 1.00 1.92 H new ATOM 0 HG2 PRO A 54 52.620 -7.828 4.008 1.00 2.08 H new ATOM 0 HG3 PRO A 54 52.020 -7.716 2.366 1.00 2.08 H new ATOM 0 HD2 PRO A 54 54.323 -9.071 3.040 1.00 1.93 H new ATOM 0 HD3 PRO A 54 54.042 -8.397 1.447 1.00 1.93 H new ATOM 837 N GLU A 55 54.885 -6.745 5.485 1.00 1.61 N ATOM 838 CA GLU A 55 55.184 -6.634 6.942 1.00 1.58 C ATOM 839 C GLU A 55 56.694 -6.507 7.164 1.00 1.42 C ATOM 840 O GLU A 55 57.144 -6.044 8.192 1.00 1.36 O ATOM 841 CB GLU A 55 54.660 -7.934 7.554 1.00 1.74 C ATOM 842 CG GLU A 55 53.201 -8.140 7.141 1.00 2.16 C ATOM 843 CD GLU A 55 52.972 -9.608 6.777 1.00 2.56 C ATOM 844 OE1 GLU A 55 53.908 -10.235 6.310 1.00 3.10 O ATOM 845 OE2 GLU A 55 51.865 -10.080 6.973 1.00 2.83 O ATOM 0 H GLU A 55 54.642 -7.681 5.161 1.00 1.61 H new ATOM 0 HA GLU A 55 54.722 -5.756 7.393 1.00 1.58 H new ATOM 0 HB2 GLU A 55 55.266 -8.776 7.220 1.00 1.74 H new ATOM 0 HB3 GLU A 55 54.740 -7.895 8.640 1.00 1.74 H new ATOM 0 HG2 GLU A 55 52.538 -7.849 7.956 1.00 2.16 H new ATOM 0 HG3 GLU A 55 52.960 -7.502 6.291 1.00 2.16 H new ATOM 852 N GLU A 56 57.478 -6.916 6.205 1.00 1.38 N ATOM 853 CA GLU A 56 58.958 -6.820 6.359 1.00 1.26 C ATOM 854 C GLU A 56 59.434 -5.403 6.023 1.00 1.14 C ATOM 855 O GLU A 56 60.389 -4.909 6.587 1.00 1.07 O ATOM 856 CB GLU A 56 59.524 -7.828 5.360 1.00 1.32 C ATOM 857 CG GLU A 56 59.735 -9.175 6.054 1.00 2.10 C ATOM 858 CD GLU A 56 61.017 -9.125 6.885 1.00 2.79 C ATOM 859 OE1 GLU A 56 60.962 -8.622 7.996 1.00 3.18 O ATOM 860 OE2 GLU A 56 62.034 -9.590 6.397 1.00 3.40 O ATOM 0 H GLU A 56 57.158 -7.313 5.321 1.00 1.38 H new ATOM 0 HA GLU A 56 59.283 -7.030 7.378 1.00 1.26 H new ATOM 0 HB2 GLU A 56 58.841 -7.944 4.519 1.00 1.32 H new ATOM 0 HB3 GLU A 56 60.469 -7.464 4.956 1.00 1.32 H new ATOM 0 HG2 GLU A 56 58.883 -9.404 6.694 1.00 2.10 H new ATOM 0 HG3 GLU A 56 59.800 -9.972 5.313 1.00 2.10 H new ATOM 867 N LEU A 57 58.775 -4.749 5.105 1.00 1.17 N ATOM 868 CA LEU A 57 59.188 -3.365 4.733 1.00 1.13 C ATOM 869 C LEU A 57 59.448 -2.532 5.991 1.00 1.06 C ATOM 870 O LEU A 57 60.577 -2.334 6.395 1.00 1.02 O ATOM 871 CB LEU A 57 58.006 -2.798 3.947 1.00 1.24 C ATOM 872 CG LEU A 57 58.445 -2.491 2.516 1.00 1.41 C ATOM 873 CD1 LEU A 57 57.780 -3.478 1.554 1.00 1.93 C ATOM 874 CD2 LEU A 57 58.029 -1.065 2.150 1.00 1.87 C ATOM 0 H LEU A 57 57.969 -5.113 4.597 1.00 1.17 H new ATOM 0 HA LEU A 57 60.109 -3.351 4.150 1.00 1.13 H new ATOM 0 HB2 LEU A 57 57.183 -3.513 3.941 1.00 1.24 H new ATOM 0 HB3 LEU A 57 57.637 -1.892 4.428 1.00 1.24 H new ATOM 0 HG LEU A 57 59.528 -2.585 2.441 1.00 1.41 H new ATOM 0 HD11 LEU A 57 58.093 -3.259 0.533 1.00 1.93 H new ATOM 0 HD12 LEU A 57 58.076 -4.494 1.814 1.00 1.93 H new ATOM 0 HD13 LEU A 57 56.697 -3.385 1.629 1.00 1.93 H new ATOM 0 HD21 LEU A 57 58.342 -0.845 1.129 1.00 1.87 H new ATOM 0 HD22 LEU A 57 56.946 -0.971 2.226 1.00 1.87 H new ATOM 0 HD23 LEU A 57 58.503 -0.361 2.834 1.00 1.87 H new ATOM 886 N GLN A 58 58.411 -2.043 6.613 1.00 1.09 N ATOM 887 CA GLN A 58 58.596 -1.222 7.845 1.00 1.08 C ATOM 888 C GLN A 58 59.473 -1.969 8.854 1.00 1.04 C ATOM 889 O GLN A 58 60.047 -1.381 9.748 1.00 1.05 O ATOM 890 CB GLN A 58 57.185 -1.028 8.402 1.00 1.15 C ATOM 891 CG GLN A 58 57.266 -0.558 9.856 1.00 1.39 C ATOM 892 CD GLN A 58 57.856 0.853 9.904 1.00 1.62 C ATOM 893 OE1 GLN A 58 57.140 1.818 10.072 1.00 2.20 O ATOM 894 NE2 GLN A 58 59.144 1.012 9.762 1.00 1.88 N ATOM 0 H GLN A 58 57.442 -2.176 6.322 1.00 1.09 H new ATOM 0 HA GLN A 58 59.090 -0.272 7.639 1.00 1.08 H new ATOM 0 HB2 GLN A 58 56.644 -0.296 7.802 1.00 1.15 H new ATOM 0 HB3 GLN A 58 56.628 -1.963 8.342 1.00 1.15 H new ATOM 0 HG2 GLN A 58 56.274 -0.564 10.307 1.00 1.39 H new ATOM 0 HG3 GLN A 58 57.885 -1.242 10.437 1.00 1.39 H new ATOM 0 HE21 GLN A 58 59.746 0.200 9.621 1.00 1.88 H new ATOM 0 HE22 GLN A 58 59.549 1.948 9.792 1.00 1.88 H new ATOM 903 N GLU A 59 59.577 -3.263 8.718 1.00 1.07 N ATOM 904 CA GLU A 59 60.412 -4.048 9.674 1.00 1.09 C ATOM 905 C GLU A 59 61.895 -3.933 9.307 1.00 1.07 C ATOM 906 O GLU A 59 62.738 -3.715 10.155 1.00 1.08 O ATOM 907 CB GLU A 59 59.931 -5.489 9.521 1.00 1.17 C ATOM 908 CG GLU A 59 59.153 -5.902 10.773 1.00 1.28 C ATOM 909 CD GLU A 59 59.633 -7.276 11.244 1.00 1.84 C ATOM 910 OE1 GLU A 59 59.809 -8.141 10.401 1.00 2.48 O ATOM 911 OE2 GLU A 59 59.818 -7.440 12.438 1.00 2.18 O ATOM 0 H GLU A 59 59.121 -3.811 7.988 1.00 1.07 H new ATOM 0 HA GLU A 59 60.314 -3.690 10.699 1.00 1.09 H new ATOM 0 HB2 GLU A 59 59.297 -5.581 8.639 1.00 1.17 H new ATOM 0 HB3 GLU A 59 60.782 -6.154 9.372 1.00 1.17 H new ATOM 0 HG2 GLU A 59 59.297 -5.165 11.563 1.00 1.28 H new ATOM 0 HG3 GLU A 59 58.085 -5.933 10.556 1.00 1.28 H new ATOM 918 N MET A 60 62.221 -4.080 8.053 1.00 1.08 N ATOM 919 CA MET A 60 63.651 -3.981 7.638 1.00 1.09 C ATOM 920 C MET A 60 64.151 -2.542 7.798 1.00 1.10 C ATOM 921 O MET A 60 65.169 -2.294 8.412 1.00 1.47 O ATOM 922 CB MET A 60 63.666 -4.394 6.166 1.00 1.09 C ATOM 923 CG MET A 60 64.125 -5.850 6.048 1.00 1.42 C ATOM 924 SD MET A 60 65.131 -6.047 4.556 1.00 1.89 S ATOM 925 CE MET A 60 66.739 -5.725 5.320 1.00 1.71 C ATOM 0 H MET A 60 61.561 -4.264 7.297 1.00 1.08 H new ATOM 0 HA MET A 60 64.301 -4.611 8.245 1.00 1.09 H new ATOM 0 HB2 MET A 60 62.671 -4.279 5.735 1.00 1.09 H new ATOM 0 HB3 MET A 60 64.335 -3.744 5.602 1.00 1.09 H new ATOM 0 HG2 MET A 60 64.702 -6.133 6.928 1.00 1.42 H new ATOM 0 HG3 MET A 60 63.261 -6.513 6.007 1.00 1.42 H new ATOM 0 HE1 MET A 60 67.518 -5.761 4.558 1.00 1.71 H new ATOM 0 HE2 MET A 60 66.731 -4.739 5.784 1.00 1.71 H new ATOM 0 HE3 MET A 60 66.939 -6.481 6.079 1.00 1.71 H new ATOM 935 N ILE A 61 63.444 -1.593 7.248 1.00 0.91 N ATOM 936 CA ILE A 61 63.881 -0.170 7.366 1.00 0.95 C ATOM 937 C ILE A 61 63.995 0.232 8.840 1.00 0.94 C ATOM 938 O ILE A 61 64.970 0.825 9.256 1.00 1.06 O ATOM 939 CB ILE A 61 62.784 0.640 6.673 1.00 1.03 C ATOM 940 CG1 ILE A 61 62.785 0.319 5.175 1.00 1.35 C ATOM 941 CG2 ILE A 61 63.048 2.133 6.873 1.00 1.55 C ATOM 942 CD1 ILE A 61 61.396 0.589 4.595 1.00 1.56 C ATOM 0 H ILE A 61 62.583 -1.740 6.722 1.00 0.91 H new ATOM 0 HA ILE A 61 64.859 -0.002 6.916 1.00 0.95 H new ATOM 0 HB ILE A 61 61.816 0.382 7.101 1.00 1.03 H new ATOM 0 HG12 ILE A 61 63.530 0.928 4.662 1.00 1.35 H new ATOM 0 HG13 ILE A 61 63.061 -0.723 5.016 1.00 1.35 H new ATOM 0 HG21 ILE A 61 62.266 2.710 6.379 1.00 1.55 H new ATOM 0 HG22 ILE A 61 63.050 2.363 7.939 1.00 1.55 H new ATOM 0 HG23 ILE A 61 64.016 2.392 6.444 1.00 1.55 H new ATOM 0 HD11 ILE A 61 61.396 0.361 3.529 1.00 1.56 H new ATOM 0 HD12 ILE A 61 60.662 -0.039 5.100 1.00 1.56 H new ATOM 0 HD13 ILE A 61 61.138 1.638 4.741 1.00 1.56 H new ATOM 954 N ASP A 62 63.006 -0.084 9.630 1.00 1.09 N ATOM 955 CA ASP A 62 63.059 0.284 11.075 1.00 1.09 C ATOM 956 C ASP A 62 64.276 -0.360 11.745 1.00 1.11 C ATOM 957 O ASP A 62 64.702 0.052 12.805 1.00 1.24 O ATOM 958 CB ASP A 62 61.765 -0.270 11.672 1.00 1.22 C ATOM 959 CG ASP A 62 61.573 0.290 13.082 1.00 1.40 C ATOM 960 OD1 ASP A 62 62.567 0.625 13.706 1.00 1.91 O ATOM 961 OD2 ASP A 62 60.436 0.374 13.516 1.00 1.87 O ATOM 0 H ASP A 62 62.164 -0.581 9.339 1.00 1.09 H new ATOM 0 HA ASP A 62 63.150 1.360 11.222 1.00 1.09 H new ATOM 0 HB2 ASP A 62 60.917 0.001 11.043 1.00 1.22 H new ATOM 0 HB3 ASP A 62 61.804 -1.359 11.704 1.00 1.22 H new ATOM 966 N GLU A 63 64.836 -1.371 11.138 1.00 1.18 N ATOM 967 CA GLU A 63 66.020 -2.041 11.746 1.00 1.31 C ATOM 968 C GLU A 63 67.316 -1.452 11.181 1.00 1.18 C ATOM 969 O GLU A 63 68.366 -1.548 11.786 1.00 1.41 O ATOM 970 CB GLU A 63 65.885 -3.513 11.356 1.00 1.50 C ATOM 971 CG GLU A 63 64.821 -4.179 12.233 1.00 1.93 C ATOM 972 CD GLU A 63 65.480 -5.225 13.136 1.00 1.91 C ATOM 973 OE1 GLU A 63 66.618 -5.577 12.871 1.00 2.24 O ATOM 974 OE2 GLU A 63 64.835 -5.656 14.077 1.00 2.33 O ATOM 0 H GLU A 63 64.525 -1.761 10.248 1.00 1.18 H new ATOM 0 HA GLU A 63 66.058 -1.906 12.827 1.00 1.31 H new ATOM 0 HB2 GLU A 63 65.610 -3.598 10.305 1.00 1.50 H new ATOM 0 HB3 GLU A 63 66.842 -4.021 11.477 1.00 1.50 H new ATOM 0 HG2 GLU A 63 64.313 -3.429 12.839 1.00 1.93 H new ATOM 0 HG3 GLU A 63 64.063 -4.650 11.608 1.00 1.93 H new ATOM 981 N VAL A 64 67.254 -0.845 10.027 1.00 0.93 N ATOM 982 CA VAL A 64 68.487 -0.254 9.431 1.00 0.92 C ATOM 983 C VAL A 64 68.480 1.269 9.604 1.00 0.95 C ATOM 984 O VAL A 64 69.511 1.912 9.566 1.00 1.37 O ATOM 985 CB VAL A 64 68.439 -0.643 7.948 1.00 0.91 C ATOM 986 CG1 VAL A 64 67.521 0.313 7.180 1.00 1.66 C ATOM 987 CG2 VAL A 64 69.849 -0.572 7.361 1.00 1.51 C ATOM 0 H VAL A 64 66.406 -0.733 9.472 1.00 0.93 H new ATOM 0 HA VAL A 64 69.396 -0.616 9.910 1.00 0.92 H new ATOM 0 HB VAL A 64 68.050 -1.657 7.859 1.00 0.91 H new ATOM 0 HG11 VAL A 64 67.495 0.027 6.129 1.00 1.66 H new ATOM 0 HG12 VAL A 64 66.514 0.262 7.595 1.00 1.66 H new ATOM 0 HG13 VAL A 64 67.899 1.331 7.269 1.00 1.66 H new ATOM 0 HG21 VAL A 64 69.819 -0.848 6.307 1.00 1.51 H new ATOM 0 HG22 VAL A 64 70.233 0.443 7.459 1.00 1.51 H new ATOM 0 HG23 VAL A 64 70.502 -1.261 7.898 1.00 1.51 H new ATOM 997 N ASP A 65 67.327 1.848 9.797 1.00 0.96 N ATOM 998 CA ASP A 65 67.256 3.327 9.974 1.00 1.02 C ATOM 999 C ASP A 65 67.719 3.713 11.382 1.00 1.06 C ATOM 1000 O ASP A 65 66.960 3.665 12.329 1.00 1.22 O ATOM 1001 CB ASP A 65 65.782 3.680 9.777 1.00 1.24 C ATOM 1002 CG ASP A 65 65.672 5.013 9.035 1.00 1.68 C ATOM 1003 OD1 ASP A 65 66.219 5.111 7.950 1.00 2.50 O ATOM 1004 OD2 ASP A 65 65.041 5.913 9.566 1.00 1.96 O ATOM 0 H ASP A 65 66.431 1.362 9.840 1.00 0.96 H new ATOM 0 HA ASP A 65 67.898 3.859 9.272 1.00 1.02 H new ATOM 0 HB2 ASP A 65 65.281 2.894 9.211 1.00 1.24 H new ATOM 0 HB3 ASP A 65 65.281 3.747 10.743 1.00 1.24 H new ATOM 1009 N GLU A 66 68.959 4.091 11.526 1.00 1.15 N ATOM 1010 CA GLU A 66 69.468 4.476 12.874 1.00 1.37 C ATOM 1011 C GLU A 66 69.724 5.984 12.937 1.00 1.34 C ATOM 1012 O GLU A 66 70.742 6.430 13.428 1.00 1.62 O ATOM 1013 CB GLU A 66 70.777 3.703 13.039 1.00 1.74 C ATOM 1014 CG GLU A 66 71.212 3.742 14.505 1.00 1.95 C ATOM 1015 CD GLU A 66 72.713 3.460 14.600 1.00 2.73 C ATOM 1016 OE1 GLU A 66 73.383 3.585 13.588 1.00 3.12 O ATOM 1017 OE2 GLU A 66 73.165 3.124 15.681 1.00 3.39 O ATOM 0 H GLU A 66 69.642 4.150 10.770 1.00 1.15 H new ATOM 0 HA GLU A 66 68.754 4.244 13.664 1.00 1.37 H new ATOM 0 HB2 GLU A 66 70.645 2.671 12.715 1.00 1.74 H new ATOM 0 HB3 GLU A 66 71.551 4.139 12.407 1.00 1.74 H new ATOM 0 HG2 GLU A 66 70.986 4.717 14.936 1.00 1.95 H new ATOM 0 HG3 GLU A 66 70.655 3.002 15.080 1.00 1.95 H new ATOM 1024 N ASP A 67 68.810 6.773 12.444 1.00 1.42 N ATOM 1025 CA ASP A 67 69.005 8.251 12.478 1.00 1.67 C ATOM 1026 C ASP A 67 67.813 8.931 13.159 1.00 1.70 C ATOM 1027 O ASP A 67 67.936 9.996 13.727 1.00 2.12 O ATOM 1028 CB ASP A 67 69.099 8.676 11.012 1.00 2.50 C ATOM 1029 CG ASP A 67 68.009 7.970 10.203 1.00 3.17 C ATOM 1030 OD1 ASP A 67 66.945 7.738 10.753 1.00 3.83 O ATOM 1031 OD2 ASP A 67 68.257 7.672 9.046 1.00 3.45 O ATOM 0 H ASP A 67 67.937 6.459 12.019 1.00 1.42 H new ATOM 0 HA ASP A 67 69.894 8.534 13.041 1.00 1.67 H new ATOM 0 HB2 ASP A 67 68.986 9.757 10.928 1.00 2.50 H new ATOM 0 HB3 ASP A 67 70.082 8.426 10.613 1.00 2.50 H new ATOM 1036 N GLY A 68 66.660 8.323 13.104 1.00 1.77 N ATOM 1037 CA GLY A 68 65.464 8.937 13.746 1.00 2.43 C ATOM 1038 C GLY A 68 64.669 9.720 12.700 1.00 2.01 C ATOM 1039 O GLY A 68 63.815 10.520 13.026 1.00 2.65 O ATOM 0 H GLY A 68 66.495 7.428 12.643 1.00 1.77 H new ATOM 0 HA2 GLY A 68 64.838 8.162 14.189 1.00 2.43 H new ATOM 0 HA3 GLY A 68 65.772 9.599 14.555 1.00 2.43 H new ATOM 1043 N SER A 69 64.942 9.496 11.444 1.00 1.59 N ATOM 1044 CA SER A 69 64.200 10.230 10.378 1.00 1.99 C ATOM 1045 C SER A 69 62.869 9.529 10.086 1.00 1.42 C ATOM 1046 O SER A 69 61.811 10.111 10.211 1.00 1.97 O ATOM 1047 CB SER A 69 65.114 10.181 9.156 1.00 2.89 C ATOM 1048 OG SER A 69 65.508 8.836 8.918 1.00 3.53 O ATOM 0 H SER A 69 65.646 8.838 11.109 1.00 1.59 H new ATOM 0 HA SER A 69 63.963 11.254 10.666 1.00 1.99 H new ATOM 0 HB2 SER A 69 64.596 10.580 8.284 1.00 2.89 H new ATOM 0 HB3 SER A 69 65.992 10.806 9.319 1.00 2.89 H new ATOM 1054 N GLY A 70 62.916 8.284 9.699 1.00 1.23 N ATOM 1055 CA GLY A 70 61.654 7.548 9.400 1.00 1.51 C ATOM 1056 C GLY A 70 61.566 7.268 7.899 1.00 1.28 C ATOM 1057 O GLY A 70 60.587 6.738 7.413 1.00 1.42 O ATOM 0 H GLY A 70 63.773 7.744 9.577 1.00 1.23 H new ATOM 0 HA2 GLY A 70 61.627 6.611 9.957 1.00 1.51 H new ATOM 0 HA3 GLY A 70 60.794 8.135 9.722 1.00 1.51 H new ATOM 1061 N THR A 71 62.583 7.619 7.159 1.00 1.12 N ATOM 1062 CA THR A 71 62.557 7.371 5.690 1.00 0.98 C ATOM 1063 C THR A 71 63.927 6.878 5.217 1.00 0.88 C ATOM 1064 O THR A 71 64.930 7.085 5.871 1.00 0.92 O ATOM 1065 CB THR A 71 62.229 8.727 5.064 1.00 1.11 C ATOM 1066 OG1 THR A 71 62.881 9.754 5.797 1.00 1.83 O ATOM 1067 CG2 THR A 71 60.718 8.954 5.097 1.00 1.34 C ATOM 0 H THR A 71 63.430 8.067 7.509 1.00 1.12 H new ATOM 0 HA THR A 71 61.830 6.609 5.411 1.00 0.98 H new ATOM 0 HB THR A 71 62.573 8.744 4.030 1.00 1.11 H new ATOM 0 HG1 THR A 71 62.674 10.624 5.396 1.00 1.83 H new ATOM 0 HG21 THR A 71 60.485 9.921 4.651 1.00 1.34 H new ATOM 0 HG22 THR A 71 60.219 8.165 4.534 1.00 1.34 H new ATOM 0 HG23 THR A 71 60.370 8.938 6.130 1.00 1.34 H new ATOM 1075 N VAL A 72 63.978 6.230 4.086 1.00 0.83 N ATOM 1076 CA VAL A 72 65.288 5.727 3.579 1.00 0.76 C ATOM 1077 C VAL A 72 65.796 6.637 2.459 1.00 0.68 C ATOM 1078 O VAL A 72 65.090 6.928 1.513 1.00 0.72 O ATOM 1079 CB VAL A 72 65.014 4.318 3.038 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.314 3.512 3.048 1.00 0.87 C ATOM 1081 CG2 VAL A 72 63.977 3.609 3.916 1.00 1.02 C ATOM 0 H VAL A 72 63.174 6.027 3.492 1.00 0.83 H new ATOM 0 HA VAL A 72 66.048 5.713 4.360 1.00 0.76 H new ATOM 0 HB VAL A 72 64.630 4.395 2.021 1.00 0.79 H new ATOM 0 HG11 VAL A 72 66.124 2.510 2.664 1.00 0.87 H new ATOM 0 HG12 VAL A 72 67.054 4.007 2.419 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.692 3.444 4.068 1.00 0.87 H new ATOM 0 HG21 VAL A 72 63.790 2.610 3.523 1.00 1.02 H new ATOM 0 HG22 VAL A 72 64.354 3.533 4.936 1.00 1.02 H new ATOM 0 HG23 VAL A 72 63.048 4.179 3.914 1.00 1.02 H new ATOM 1091 N ASP A 73 67.018 7.083 2.552 1.00 0.72 N ATOM 1092 CA ASP A 73 67.568 7.968 1.485 1.00 0.76 C ATOM 1093 C ASP A 73 68.629 7.214 0.673 1.00 0.83 C ATOM 1094 O ASP A 73 68.317 6.534 -0.284 1.00 1.49 O ATOM 1095 CB ASP A 73 68.180 9.179 2.210 1.00 0.98 C ATOM 1096 CG ASP A 73 68.832 8.746 3.526 1.00 1.30 C ATOM 1097 OD1 ASP A 73 68.105 8.351 4.423 1.00 1.89 O ATOM 1098 OD2 ASP A 73 70.046 8.821 3.615 1.00 1.99 O ATOM 0 H ASP A 73 67.659 6.874 3.318 1.00 0.72 H new ATOM 0 HA ASP A 73 66.798 8.286 0.782 1.00 0.76 H new ATOM 0 HB2 ASP A 73 68.922 9.656 1.570 1.00 0.98 H new ATOM 0 HB3 ASP A 73 67.406 9.920 2.408 1.00 0.98 H new ATOM 1103 N PHE A 74 69.876 7.324 1.042 1.00 0.67 N ATOM 1104 CA PHE A 74 70.938 6.604 0.280 1.00 0.64 C ATOM 1105 C PHE A 74 71.860 5.841 1.237 1.00 0.73 C ATOM 1106 O PHE A 74 72.224 4.709 0.989 1.00 0.87 O ATOM 1107 CB PHE A 74 71.712 7.701 -0.450 1.00 0.79 C ATOM 1108 CG PHE A 74 72.382 7.116 -1.671 1.00 0.86 C ATOM 1109 CD1 PHE A 74 73.313 6.079 -1.530 1.00 1.33 C ATOM 1110 CD2 PHE A 74 72.073 7.610 -2.943 1.00 1.68 C ATOM 1111 CE1 PHE A 74 73.934 5.538 -2.662 1.00 1.45 C ATOM 1112 CE2 PHE A 74 72.695 7.069 -4.075 1.00 1.78 C ATOM 1113 CZ PHE A 74 73.625 6.033 -3.934 1.00 1.20 C ATOM 0 H PHE A 74 70.205 7.877 1.833 1.00 0.67 H new ATOM 0 HA PHE A 74 70.523 5.868 -0.409 1.00 0.64 H new ATOM 0 HB2 PHE A 74 71.036 8.505 -0.743 1.00 0.79 H new ATOM 0 HB3 PHE A 74 72.458 8.138 0.214 1.00 0.79 H new ATOM 0 HD1 PHE A 74 73.552 5.697 -0.548 1.00 1.33 H new ATOM 0 HD2 PHE A 74 71.354 8.409 -3.052 1.00 1.68 H new ATOM 0 HE1 PHE A 74 74.652 4.738 -2.554 1.00 1.45 H new ATOM 0 HE2 PHE A 74 72.457 7.451 -5.057 1.00 1.78 H new ATOM 0 HZ PHE A 74 74.104 5.615 -4.807 1.00 1.20 H new ATOM 1123 N ASP A 75 72.241 6.452 2.326 1.00 0.94 N ATOM 1124 CA ASP A 75 73.141 5.758 3.293 1.00 1.11 C ATOM 1125 C ASP A 75 72.431 4.545 3.904 1.00 0.90 C ATOM 1126 O ASP A 75 73.022 3.501 4.095 1.00 0.94 O ATOM 1127 CB ASP A 75 73.448 6.799 4.370 1.00 1.45 C ATOM 1128 CG ASP A 75 72.208 7.015 5.239 1.00 2.16 C ATOM 1129 OD1 ASP A 75 71.122 7.056 4.686 1.00 2.78 O ATOM 1130 OD2 ASP A 75 72.366 7.134 6.443 1.00 2.66 O ATOM 0 H ASP A 75 71.969 7.400 2.588 1.00 0.94 H new ATOM 0 HA ASP A 75 74.048 5.387 2.816 1.00 1.11 H new ATOM 0 HB2 ASP A 75 74.283 6.465 4.986 1.00 1.45 H new ATOM 0 HB3 ASP A 75 73.749 7.739 3.907 1.00 1.45 H new ATOM 1135 N GLU A 76 71.169 4.674 4.211 1.00 0.81 N ATOM 1136 CA GLU A 76 70.428 3.526 4.808 1.00 0.76 C ATOM 1137 C GLU A 76 69.871 2.628 3.701 1.00 0.62 C ATOM 1138 O GLU A 76 69.960 1.418 3.766 1.00 0.61 O ATOM 1139 CB GLU A 76 69.291 4.158 5.608 1.00 0.93 C ATOM 1140 CG GLU A 76 69.861 5.211 6.561 1.00 1.09 C ATOM 1141 CD GLU A 76 69.090 6.521 6.394 1.00 1.59 C ATOM 1142 OE1 GLU A 76 68.011 6.482 5.828 1.00 2.25 O ATOM 1143 OE2 GLU A 76 69.593 7.541 6.836 1.00 1.93 O ATOM 0 H GLU A 76 70.620 5.523 4.075 1.00 0.81 H new ATOM 0 HA GLU A 76 71.066 2.903 5.434 1.00 0.76 H new ATOM 0 HB2 GLU A 76 68.568 4.616 4.933 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.759 3.392 6.172 1.00 0.93 H new ATOM 0 HG2 GLU A 76 69.788 4.862 7.591 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.919 5.370 6.353 1.00 1.09 H new ATOM 1150 N PHE A 77 69.297 3.210 2.683 1.00 0.59 N ATOM 1151 CA PHE A 77 68.740 2.386 1.573 1.00 0.57 C ATOM 1152 C PHE A 77 69.738 1.295 1.180 1.00 0.59 C ATOM 1153 O PHE A 77 69.366 0.181 0.869 1.00 0.71 O ATOM 1154 CB PHE A 77 68.532 3.363 0.416 1.00 0.62 C ATOM 1155 CG PHE A 77 67.899 2.638 -0.748 1.00 0.72 C ATOM 1156 CD1 PHE A 77 66.505 2.567 -0.852 1.00 1.42 C ATOM 1157 CD2 PHE A 77 68.706 2.039 -1.723 1.00 1.51 C ATOM 1158 CE1 PHE A 77 65.917 1.896 -1.930 1.00 1.60 C ATOM 1159 CE2 PHE A 77 68.117 1.366 -2.801 1.00 1.76 C ATOM 1160 CZ PHE A 77 66.723 1.295 -2.905 1.00 1.37 C ATOM 0 H PHE A 77 69.190 4.218 2.572 1.00 0.59 H new ATOM 0 HA PHE A 77 67.812 1.887 1.853 1.00 0.57 H new ATOM 0 HB2 PHE A 77 67.895 4.189 0.733 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.486 3.794 0.114 1.00 0.62 H new ATOM 0 HD1 PHE A 77 65.883 3.030 -0.100 1.00 1.42 H new ATOM 0 HD2 PHE A 77 69.782 2.096 -1.644 1.00 1.51 H new ATOM 0 HE1 PHE A 77 64.841 1.842 -2.010 1.00 1.60 H new ATOM 0 HE2 PHE A 77 68.739 0.902 -3.552 1.00 1.76 H new ATOM 0 HZ PHE A 77 66.269 0.777 -3.737 1.00 1.37 H new ATOM 1170 N LEU A 78 71.007 1.607 1.196 1.00 0.57 N ATOM 1171 CA LEU A 78 72.032 0.589 0.826 1.00 0.62 C ATOM 1172 C LEU A 78 72.194 -0.426 1.961 1.00 0.61 C ATOM 1173 O LEU A 78 72.163 -1.622 1.744 1.00 0.68 O ATOM 1174 CB LEU A 78 73.326 1.380 0.621 1.00 0.66 C ATOM 1175 CG LEU A 78 73.457 1.772 -0.851 1.00 0.73 C ATOM 1176 CD1 LEU A 78 74.787 2.495 -1.074 1.00 1.10 C ATOM 1177 CD2 LEU A 78 73.412 0.512 -1.719 1.00 1.34 C ATOM 0 H LEU A 78 71.377 2.523 1.449 1.00 0.57 H new ATOM 0 HA LEU A 78 71.756 0.029 -0.067 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.322 2.272 1.247 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.183 0.780 0.926 1.00 0.66 H new ATOM 0 HG LEU A 78 72.635 2.434 -1.124 1.00 0.73 H new ATOM 0 HD11 LEU A 78 74.878 2.773 -2.124 1.00 1.10 H new ATOM 0 HD12 LEU A 78 74.821 3.392 -0.456 1.00 1.10 H new ATOM 0 HD13 LEU A 78 75.610 1.835 -0.801 1.00 1.10 H new ATOM 0 HD21 LEU A 78 73.505 0.790 -2.769 1.00 1.34 H new ATOM 0 HD22 LEU A 78 74.234 -0.149 -1.444 1.00 1.34 H new ATOM 0 HD23 LEU A 78 72.464 -0.004 -1.563 1.00 1.34 H new ATOM 1189 N VAL A 79 72.364 0.037 3.169 1.00 0.64 N ATOM 1190 CA VAL A 79 72.520 -0.911 4.309 1.00 0.68 C ATOM 1191 C VAL A 79 71.427 -1.979 4.242 1.00 0.78 C ATOM 1192 O VAL A 79 71.645 -3.127 4.571 1.00 0.92 O ATOM 1193 CB VAL A 79 72.364 -0.057 5.569 1.00 0.73 C ATOM 1194 CG1 VAL A 79 72.674 -0.906 6.803 1.00 1.15 C ATOM 1195 CG2 VAL A 79 73.337 1.123 5.511 1.00 0.91 C ATOM 0 H VAL A 79 72.402 1.026 3.416 1.00 0.64 H new ATOM 0 HA VAL A 79 73.480 -1.428 4.293 1.00 0.68 H new ATOM 0 HB VAL A 79 71.341 0.315 5.628 1.00 0.73 H new ATOM 0 HG11 VAL A 79 72.563 -0.298 7.701 1.00 1.15 H new ATOM 0 HG12 VAL A 79 71.984 -1.748 6.848 1.00 1.15 H new ATOM 0 HG13 VAL A 79 73.697 -1.278 6.741 1.00 1.15 H new ATOM 0 HG21 VAL A 79 73.225 1.731 6.409 1.00 0.91 H new ATOM 0 HG22 VAL A 79 74.359 0.749 5.451 1.00 0.91 H new ATOM 0 HG23 VAL A 79 73.120 1.730 4.632 1.00 0.91 H new ATOM 1205 N MET A 80 70.253 -1.610 3.807 1.00 0.82 N ATOM 1206 CA MET A 80 69.149 -2.604 3.705 1.00 0.93 C ATOM 1207 C MET A 80 69.461 -3.605 2.591 1.00 0.92 C ATOM 1208 O MET A 80 69.126 -4.769 2.673 1.00 0.99 O ATOM 1209 CB MET A 80 67.907 -1.785 3.354 1.00 1.04 C ATOM 1210 CG MET A 80 66.916 -1.830 4.518 1.00 1.05 C ATOM 1211 SD MET A 80 65.717 -0.487 4.340 1.00 1.64 S ATOM 1212 CE MET A 80 65.368 -0.725 2.582 1.00 1.27 C ATOM 0 H MET A 80 70.011 -0.662 3.518 1.00 0.82 H new ATOM 0 HA MET A 80 69.012 -3.172 4.625 1.00 0.93 H new ATOM 0 HB2 MET A 80 68.188 -0.753 3.142 1.00 1.04 H new ATOM 0 HB3 MET A 80 67.441 -2.181 2.451 1.00 1.04 H new ATOM 0 HG2 MET A 80 66.402 -2.791 4.535 1.00 1.05 H new ATOM 0 HG3 MET A 80 67.447 -1.735 5.465 1.00 1.05 H new ATOM 0 HE1 MET A 80 64.443 -0.211 2.322 1.00 1.27 H new ATOM 0 HE2 MET A 80 66.188 -0.319 1.990 1.00 1.27 H new ATOM 0 HE3 MET A 80 65.262 -1.790 2.373 1.00 1.27 H new ATOM 1222 N MET A 81 70.108 -3.155 1.550 1.00 0.86 N ATOM 1223 CA MET A 81 70.453 -4.074 0.428 1.00 0.88 C ATOM 1224 C MET A 81 71.619 -4.977 0.832 1.00 0.90 C ATOM 1225 O MET A 81 71.518 -6.188 0.812 1.00 1.04 O ATOM 1226 CB MET A 81 70.863 -3.156 -0.725 1.00 0.86 C ATOM 1227 CG MET A 81 69.614 -2.573 -1.387 1.00 0.97 C ATOM 1228 SD MET A 81 69.163 -3.581 -2.820 1.00 1.31 S ATOM 1229 CE MET A 81 68.165 -2.335 -3.671 1.00 0.93 C ATOM 0 H MET A 81 70.413 -2.189 1.428 1.00 0.86 H new ATOM 0 HA MET A 81 69.622 -4.725 0.155 1.00 0.88 H new ATOM 0 HB2 MET A 81 71.499 -2.352 -0.354 1.00 0.86 H new ATOM 0 HB3 MET A 81 71.448 -3.714 -1.457 1.00 0.86 H new ATOM 0 HG2 MET A 81 68.790 -2.547 -0.674 1.00 0.97 H new ATOM 0 HG3 MET A 81 69.800 -1.545 -1.697 1.00 0.97 H new ATOM 0 HE1 MET A 81 67.258 -2.798 -4.059 1.00 0.93 H new ATOM 0 HE2 MET A 81 67.898 -1.543 -2.971 1.00 0.93 H new ATOM 0 HE3 MET A 81 68.738 -1.912 -4.496 1.00 0.93 H new ATOM 1239 N VAL A 82 72.727 -4.396 1.203 1.00 0.81 N ATOM 1240 CA VAL A 82 73.901 -5.218 1.613 1.00 0.87 C ATOM 1241 C VAL A 82 73.487 -6.228 2.687 1.00 0.93 C ATOM 1242 O VAL A 82 74.083 -7.277 2.828 1.00 1.06 O ATOM 1243 CB VAL A 82 74.905 -4.214 2.178 1.00 0.86 C ATOM 1244 CG1 VAL A 82 74.211 -3.326 3.213 1.00 1.12 C ATOM 1245 CG2 VAL A 82 76.057 -4.965 2.846 1.00 1.38 C ATOM 0 H VAL A 82 72.870 -3.387 1.240 1.00 0.81 H new ATOM 0 HA VAL A 82 74.318 -5.790 0.784 1.00 0.87 H new ATOM 0 HB VAL A 82 75.294 -3.596 1.369 1.00 0.86 H new ATOM 0 HG11 VAL A 82 74.927 -2.610 3.616 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.389 -2.790 2.739 1.00 1.12 H new ATOM 0 HG13 VAL A 82 73.823 -3.945 4.022 1.00 1.12 H new ATOM 0 HG21 VAL A 82 76.773 -4.249 3.249 1.00 1.38 H new ATOM 0 HG22 VAL A 82 75.668 -5.583 3.655 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.553 -5.599 2.111 1.00 1.38 H new ATOM 1255 N ARG A 83 72.470 -5.920 3.444 1.00 0.92 N ATOM 1256 CA ARG A 83 72.019 -6.862 4.507 1.00 1.06 C ATOM 1257 C ARG A 83 71.448 -8.135 3.878 1.00 1.17 C ATOM 1258 O ARG A 83 71.955 -9.221 4.080 1.00 1.35 O ATOM 1259 CB ARG A 83 70.928 -6.106 5.267 1.00 1.12 C ATOM 1260 CG ARG A 83 71.546 -5.386 6.467 1.00 1.21 C ATOM 1261 CD ARG A 83 70.436 -4.751 7.307 1.00 1.42 C ATOM 1262 NE ARG A 83 70.794 -5.065 8.717 1.00 1.54 N ATOM 1263 CZ ARG A 83 69.890 -5.544 9.528 1.00 1.90 C ATOM 1264 NH1 ARG A 83 69.558 -6.804 9.460 1.00 1.93 N ATOM 1265 NH2 ARG A 83 69.321 -4.764 10.405 1.00 2.73 N ATOM 0 H ARG A 83 71.932 -5.057 3.372 1.00 0.92 H new ATOM 0 HA ARG A 83 72.835 -7.169 5.161 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.443 -5.386 4.608 1.00 1.12 H new ATOM 0 HB3 ARG A 83 70.157 -6.800 5.603 1.00 1.12 H new ATOM 0 HG2 ARG A 83 72.118 -6.090 7.072 1.00 1.21 H new ATOM 0 HG3 ARG A 83 72.242 -4.620 6.126 1.00 1.21 H new ATOM 0 HD2 ARG A 83 70.384 -3.675 7.143 1.00 1.42 H new ATOM 0 HD3 ARG A 83 69.460 -5.161 7.047 1.00 1.42 H new ATOM 0 HE ARG A 83 71.745 -4.906 9.050 1.00 1.54 H new ATOM 0 HH11 ARG A 83 70.005 -7.413 8.774 1.00 1.93 H new ATOM 0 HH12 ARG A 83 68.852 -7.180 10.093 1.00 1.93 H new ATOM 0 HH21 ARG A 83 69.582 -3.779 10.457 1.00 2.73 H new ATOM 0 HH22 ARG A 83 68.615 -5.139 11.038 1.00 2.73 H new ATOM 1279 N CYS A 84 70.396 -8.010 3.115 1.00 1.21 N ATOM 1280 CA CYS A 84 69.794 -9.213 2.472 1.00 1.46 C ATOM 1281 C CYS A 84 70.701 -9.723 1.349 1.00 1.52 C ATOM 1282 O CYS A 84 70.583 -10.848 0.905 1.00 1.97 O ATOM 1283 CB CYS A 84 68.459 -8.732 1.903 1.00 1.72 C ATOM 1284 SG CYS A 84 67.230 -8.655 3.230 1.00 2.58 S ATOM 0 H CYS A 84 69.928 -7.128 2.909 1.00 1.21 H new ATOM 0 HA CYS A 84 69.666 -10.035 3.176 1.00 1.46 H new ATOM 0 HB2 CYS A 84 68.579 -7.750 1.446 1.00 1.72 H new ATOM 0 HB3 CYS A 84 68.121 -9.409 1.118 1.00 1.72 H new ATOM 0 HG CYS A 84 66.703 -7.467 3.265 1.00 2.58 H new ATOM 1290 N MET A 85 71.606 -8.905 0.888 1.00 1.31 N ATOM 1291 CA MET A 85 72.520 -9.342 -0.205 1.00 1.51 C ATOM 1292 C MET A 85 73.289 -10.596 0.219 1.00 1.66 C ATOM 1293 O MET A 85 72.934 -11.261 1.172 1.00 2.46 O ATOM 1294 CB MET A 85 73.479 -8.169 -0.411 1.00 1.47 C ATOM 1295 CG MET A 85 73.110 -7.427 -1.697 1.00 1.57 C ATOM 1296 SD MET A 85 74.519 -6.428 -2.240 1.00 1.89 S ATOM 1297 CE MET A 85 73.643 -4.850 -2.364 1.00 1.57 C ATOM 0 H MET A 85 71.752 -7.952 1.221 1.00 1.31 H new ATOM 0 HA MET A 85 71.981 -9.594 -1.119 1.00 1.51 H new ATOM 0 HB2 MET A 85 73.428 -7.490 0.440 1.00 1.47 H new ATOM 0 HB3 MET A 85 74.506 -8.531 -0.469 1.00 1.47 H new ATOM 0 HG2 MET A 85 72.834 -8.139 -2.475 1.00 1.57 H new ATOM 0 HG3 MET A 85 72.242 -6.790 -1.526 1.00 1.57 H new ATOM 0 HE1 MET A 85 74.238 -4.149 -2.949 1.00 1.57 H new ATOM 0 HE2 MET A 85 72.681 -5.005 -2.852 1.00 1.57 H new ATOM 0 HE3 MET A 85 73.482 -4.444 -1.365 1.00 1.57 H new ATOM 1307 N LYS A 86 74.340 -10.923 -0.482 1.00 1.46 N ATOM 1308 CA LYS A 86 75.133 -12.133 -0.122 1.00 1.86 C ATOM 1309 C LYS A 86 76.510 -12.077 -0.788 1.00 2.10 C ATOM 1310 O LYS A 86 76.991 -11.023 -1.153 1.00 2.77 O ATOM 1311 CB LYS A 86 74.323 -13.313 -0.661 1.00 2.69 C ATOM 1312 CG LYS A 86 74.606 -14.558 0.182 1.00 3.47 C ATOM 1313 CD LYS A 86 74.779 -15.771 -0.735 1.00 4.38 C ATOM 1314 CE LYS A 86 75.803 -16.732 -0.124 1.00 5.10 C ATOM 1315 NZ LYS A 86 75.210 -17.147 1.178 1.00 5.92 N ATOM 0 H LYS A 86 74.684 -10.404 -1.290 1.00 1.46 H new ATOM 0 HA LYS A 86 75.302 -12.213 0.952 1.00 1.86 H new ATOM 0 HB2 LYS A 86 73.259 -13.078 -0.635 1.00 2.69 H new ATOM 0 HB3 LYS A 86 74.583 -13.500 -1.703 1.00 2.69 H new ATOM 0 HG2 LYS A 86 75.506 -14.409 0.778 1.00 3.47 H new ATOM 0 HG3 LYS A 86 73.787 -14.731 0.880 1.00 3.47 H new ATOM 0 HD2 LYS A 86 73.823 -16.278 -0.869 1.00 4.38 H new ATOM 0 HD3 LYS A 86 75.110 -15.449 -1.722 1.00 4.38 H new ATOM 0 HE2 LYS A 86 75.974 -17.592 -0.772 1.00 5.10 H new ATOM 0 HE3 LYS A 86 76.767 -16.244 0.019 1.00 5.10 H new ATOM 0 HZ1 LYS A 86 75.631 -18.049 1.479 1.00 5.92 H new ATOM 0 HZ2 LYS A 86 75.402 -16.419 1.895 1.00 5.92 H new ATOM 0 HZ3 LYS A 86 74.182 -17.264 1.070 1.00 5.92 H new ATOM 1329 N ASP A 87 77.148 -13.204 -0.949 1.00 2.49 N ATOM 1330 CA ASP A 87 78.492 -13.214 -1.595 1.00 3.49 C ATOM 1331 C ASP A 87 79.455 -12.300 -0.834 1.00 4.14 C ATOM 1332 O ASP A 87 79.218 -11.938 0.302 1.00 4.30 O ATOM 1333 CB ASP A 87 78.255 -12.683 -3.008 1.00 4.13 C ATOM 1334 CG ASP A 87 78.350 -13.834 -4.012 1.00 5.17 C ATOM 1335 OD1 ASP A 87 77.347 -14.498 -4.217 1.00 5.90 O ATOM 1336 OD2 ASP A 87 79.423 -14.032 -4.557 1.00 5.51 O ATOM 0 H ASP A 87 76.797 -14.118 -0.662 1.00 2.49 H new ATOM 0 HA ASP A 87 78.938 -14.208 -1.601 1.00 3.49 H new ATOM 0 HB2 ASP A 87 77.274 -12.213 -3.071 1.00 4.13 H new ATOM 0 HB3 ASP A 87 78.992 -11.916 -3.248 1.00 4.13 H new ATOM 1341 N ASP A 88 80.540 -11.923 -1.453 1.00 4.97 N ATOM 1342 CA ASP A 88 81.520 -11.032 -0.769 1.00 5.97 C ATOM 1343 C ASP A 88 80.957 -9.612 -0.662 1.00 6.80 C ATOM 1344 O ASP A 88 79.772 -9.391 -0.815 1.00 7.43 O ATOM 1345 CB ASP A 88 82.761 -11.050 -1.662 1.00 6.65 C ATOM 1346 CG ASP A 88 83.832 -11.940 -1.029 1.00 6.90 C ATOM 1347 OD1 ASP A 88 84.498 -11.475 -0.120 1.00 7.19 O ATOM 1348 OD2 ASP A 88 83.967 -13.071 -1.465 1.00 7.08 O ATOM 0 H ASP A 88 80.791 -12.194 -2.404 1.00 4.97 H new ATOM 0 HA ASP A 88 81.743 -11.363 0.245 1.00 5.97 H new ATOM 0 HB2 ASP A 88 82.503 -11.422 -2.654 1.00 6.65 H new ATOM 0 HB3 ASP A 88 83.144 -10.038 -1.791 1.00 6.65 H new ATOM 1353 N SER A 89 81.797 -8.648 -0.400 1.00 7.04 N ATOM 1354 CA SER A 89 81.306 -7.245 -0.284 1.00 8.10 C ATOM 1355 C SER A 89 80.297 -7.131 0.862 1.00 8.42 C ATOM 1356 O SER A 89 80.728 -6.941 1.987 1.00 8.45 O ATOM 1357 CB SER A 89 80.633 -6.950 -1.624 1.00 8.54 C ATOM 1358 OG SER A 89 80.459 -5.546 -1.763 1.00 8.99 O ATOM 1359 OXT SER A 89 79.112 -7.240 0.594 1.00 8.86 O ATOM 0 H SER A 89 82.800 -8.771 -0.261 1.00 7.04 H new ATOM 0 HA SER A 89 82.110 -6.542 -0.069 1.00 8.10 H new ATOM 0 HB2 SER A 89 81.241 -7.335 -2.442 1.00 8.54 H new ATOM 0 HB3 SER A 89 79.668 -7.455 -1.679 1.00 8.54 H new ATOM 0 HG SER A 89 80.029 -5.353 -2.622 1.00 8.99 H new TER 1365 SER A 89 HETATM 1366 CA CA A 90 66.979 7.507 7.182 1.00 0.00 CA