USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 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 Single : A 78 SER OG : rot 42:sc= 0.441 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.15 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.11) USER MOD Single : A 105 MET CE :methyl -127:sc= -1.42 (180deg=-2.23) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0315 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -109:sc= 2.36 USER MOD Single : A 131 ASN : amide:sc= -3.18! C(o=-3.2!,f=-5.9!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 78 17.758 1.545 6.045 1.00 0.00 N ATOM 2 CA SER A 78 17.927 2.011 4.640 1.00 0.00 C ATOM 3 C SER A 78 17.515 0.909 3.664 1.00 0.00 C ATOM 4 O SER A 78 17.547 -0.264 3.986 1.00 0.00 O ATOM 5 CB SER A 78 19.415 2.320 4.501 1.00 0.00 C ATOM 6 OG SER A 78 19.828 3.139 5.588 1.00 0.00 O ATOM 0 HA SER A 78 17.308 2.880 4.417 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.991 1.395 4.489 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.606 2.827 3.555 1.00 0.00 H new ATOM 0 HG SER A 78 19.422 2.811 6.417 1.00 0.00 H new ATOM 12 N GLU A 79 17.124 1.279 2.469 1.00 0.00 N ATOM 13 CA GLU A 79 16.698 0.267 1.448 1.00 0.00 C ATOM 14 C GLU A 79 15.599 -0.644 2.011 1.00 0.00 C ATOM 15 O GLU A 79 15.871 -1.596 2.720 1.00 0.00 O ATOM 16 CB GLU A 79 17.959 -0.541 1.117 1.00 0.00 C ATOM 17 CG GLU A 79 17.823 -1.160 -0.279 1.00 0.00 C ATOM 18 CD GLU A 79 19.155 -1.057 -1.025 1.00 0.00 C ATOM 19 OE1 GLU A 79 19.646 0.051 -1.170 1.00 0.00 O ATOM 20 OE2 GLU A 79 19.659 -2.086 -1.440 1.00 0.00 O ATOM 0 H GLU A 79 17.081 2.248 2.153 1.00 0.00 H new ATOM 0 HA GLU A 79 16.282 0.743 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.837 0.104 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 79 18.106 -1.325 1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.522 -2.204 -0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.041 -0.647 -0.839 1.00 0.00 H new ATOM 27 N ASP A 80 14.360 -0.357 1.695 1.00 0.00 N ATOM 28 CA ASP A 80 13.233 -1.198 2.202 1.00 0.00 C ATOM 29 C ASP A 80 12.153 -1.291 1.121 1.00 0.00 C ATOM 30 O ASP A 80 12.402 -0.978 -0.029 1.00 0.00 O ATOM 31 CB ASP A 80 12.711 -0.455 3.439 1.00 0.00 C ATOM 32 CG ASP A 80 13.641 -0.714 4.628 1.00 0.00 C ATOM 33 OD1 ASP A 80 14.215 -1.790 4.685 1.00 0.00 O ATOM 34 OD2 ASP A 80 13.760 0.167 5.465 1.00 0.00 O ATOM 0 H ASP A 80 14.080 0.427 1.105 1.00 0.00 H new ATOM 0 HA ASP A 80 13.534 -2.216 2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.654 0.614 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.701 -0.788 3.676 1.00 0.00 H new ATOM 39 N ILE A 81 10.958 -1.707 1.470 1.00 0.00 N ATOM 40 CA ILE A 81 9.877 -1.794 0.442 1.00 0.00 C ATOM 41 C ILE A 81 8.684 -0.916 0.834 1.00 0.00 C ATOM 42 O ILE A 81 7.567 -1.378 0.890 1.00 0.00 O ATOM 43 CB ILE A 81 9.471 -3.272 0.352 1.00 0.00 C ATOM 44 CG1 ILE A 81 8.898 -3.769 1.705 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.674 -4.116 -0.101 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.989 -4.305 2.652 1.00 0.00 C ATOM 0 H ILE A 81 10.688 -1.987 2.413 1.00 0.00 H new ATOM 0 HA ILE A 81 10.226 -1.432 -0.525 1.00 0.00 H new ATOM 0 HB ILE A 81 8.681 -3.381 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.369 -2.951 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.166 -4.555 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.380 -5.164 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.010 -3.775 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.485 -4.009 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.531 -4.639 3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.502 -5.143 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.707 -3.513 2.865 1.00 0.00 H new ATOM 58 N ILE A 82 8.899 0.355 1.090 1.00 0.00 N ATOM 59 CA ILE A 82 7.744 1.232 1.461 1.00 0.00 C ATOM 60 C ILE A 82 7.271 2.010 0.240 1.00 0.00 C ATOM 61 O ILE A 82 8.056 2.390 -0.597 1.00 0.00 O ATOM 62 CB ILE A 82 8.252 2.180 2.552 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.806 1.367 3.728 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.093 3.057 3.043 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.484 2.308 4.728 1.00 0.00 C ATOM 0 H ILE A 82 9.809 0.815 1.059 1.00 0.00 H new ATOM 0 HA ILE A 82 6.896 0.650 1.822 1.00 0.00 H new ATOM 0 HB ILE A 82 9.043 2.809 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.000 0.820 4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.521 0.627 3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.452 3.733 3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.698 3.639 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.304 2.424 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.877 1.729 5.563 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.301 2.835 4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.757 3.031 5.098 1.00 0.00 H new ATOM 77 N VAL A 83 5.990 2.236 0.132 1.00 0.00 N ATOM 78 CA VAL A 83 5.447 2.982 -1.040 1.00 0.00 C ATOM 79 C VAL A 83 4.568 4.151 -0.581 1.00 0.00 C ATOM 80 O VAL A 83 4.288 4.310 0.594 1.00 0.00 O ATOM 81 CB VAL A 83 4.603 1.955 -1.816 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.495 0.818 -2.337 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.514 1.375 -0.900 1.00 0.00 C ATOM 0 H VAL A 83 5.291 1.934 0.810 1.00 0.00 H new ATOM 0 HA VAL A 83 6.243 3.407 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 83 4.135 2.456 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.885 0.099 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.256 1.228 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.977 0.320 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.920 0.649 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.980 0.885 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.868 2.179 -0.549 1.00 0.00 H new ATOM 93 N VAL A 84 4.115 4.955 -1.508 1.00 0.00 N ATOM 94 CA VAL A 84 3.236 6.102 -1.150 1.00 0.00 C ATOM 95 C VAL A 84 1.999 6.090 -2.058 1.00 0.00 C ATOM 96 O VAL A 84 2.114 6.055 -3.272 1.00 0.00 O ATOM 97 CB VAL A 84 4.102 7.370 -1.350 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.232 7.727 -2.838 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.458 8.547 -0.613 1.00 0.00 C ATOM 0 H VAL A 84 4.319 4.863 -2.503 1.00 0.00 H new ATOM 0 HA VAL A 84 2.869 6.059 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 84 5.096 7.167 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.846 8.621 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.700 6.900 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.242 7.914 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.066 9.441 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.459 8.723 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.390 8.317 0.450 1.00 0.00 H new ATOM 109 N ALA A 85 0.825 6.108 -1.485 1.00 0.00 N ATOM 110 CA ALA A 85 -0.407 6.099 -2.321 1.00 0.00 C ATOM 111 C ALA A 85 -0.523 7.434 -3.036 1.00 0.00 C ATOM 112 O ALA A 85 -0.584 8.474 -2.401 1.00 0.00 O ATOM 113 CB ALA A 85 -1.570 5.925 -1.350 1.00 0.00 C ATOM 0 H ALA A 85 0.668 6.128 -0.477 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.395 5.306 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.508 5.910 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.454 4.986 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.580 6.754 -0.642 1.00 0.00 H new ATOM 119 N LEU A 86 -0.557 7.405 -4.345 1.00 0.00 N ATOM 120 CA LEU A 86 -0.664 8.668 -5.133 1.00 0.00 C ATOM 121 C LEU A 86 -2.125 8.972 -5.474 1.00 0.00 C ATOM 122 O LEU A 86 -2.409 9.940 -6.149 1.00 0.00 O ATOM 123 CB LEU A 86 0.116 8.405 -6.426 1.00 0.00 C ATOM 124 CG LEU A 86 1.567 8.047 -6.097 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.281 7.552 -7.364 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.282 9.285 -5.552 1.00 0.00 C ATOM 0 H LEU A 86 -0.515 6.553 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.276 9.519 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.350 7.593 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.086 9.288 -7.065 1.00 0.00 H new ATOM 0 HG LEU A 86 1.585 7.256 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.314 7.299 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.770 6.669 -7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.266 8.337 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.316 9.034 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.262 10.076 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.777 9.629 -4.649 1.00 0.00 H new ATOM 138 N TYR A 87 -3.055 8.155 -5.026 1.00 0.00 N ATOM 139 CA TYR A 87 -4.501 8.410 -5.328 1.00 0.00 C ATOM 140 C TYR A 87 -5.354 7.806 -4.212 1.00 0.00 C ATOM 141 O TYR A 87 -4.962 6.849 -3.570 1.00 0.00 O ATOM 142 CB TYR A 87 -4.798 7.718 -6.665 1.00 0.00 C ATOM 143 CG TYR A 87 -3.838 8.205 -7.724 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.041 9.443 -8.341 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.730 7.422 -8.068 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.136 9.897 -9.307 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.823 7.876 -9.031 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.025 9.113 -9.653 1.00 0.00 C ATOM 149 OH TYR A 87 -1.123 9.560 -10.602 1.00 0.00 O ATOM 0 H TYR A 87 -2.873 7.323 -4.464 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.724 9.475 -5.391 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.710 6.637 -6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.824 7.924 -6.970 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.895 10.048 -8.073 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.575 6.466 -7.589 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.293 10.852 -9.787 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.967 7.272 -9.294 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.414 8.894 -10.719 1.00 0.00 H new ATOM 159 N ASP A 88 -6.503 8.373 -3.960 1.00 0.00 N ATOM 160 CA ASP A 88 -7.378 7.847 -2.869 1.00 0.00 C ATOM 161 C ASP A 88 -7.896 6.453 -3.241 1.00 0.00 C ATOM 162 O ASP A 88 -8.107 6.161 -4.403 1.00 0.00 O ATOM 163 CB ASP A 88 -8.537 8.841 -2.760 1.00 0.00 C ATOM 164 CG ASP A 88 -8.063 10.107 -2.042 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.389 9.976 -1.034 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.382 11.187 -2.512 1.00 0.00 O ATOM 0 H ASP A 88 -6.875 9.179 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.844 7.751 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.909 9.092 -3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.366 8.390 -2.214 1.00 0.00 H new ATOM 171 N TYR A 89 -8.105 5.591 -2.270 1.00 0.00 N ATOM 172 CA TYR A 89 -8.617 4.215 -2.595 1.00 0.00 C ATOM 173 C TYR A 89 -9.387 3.601 -1.417 1.00 0.00 C ATOM 174 O TYR A 89 -9.070 3.829 -0.266 1.00 0.00 O ATOM 175 CB TYR A 89 -7.374 3.379 -2.905 1.00 0.00 C ATOM 176 CG TYR A 89 -7.810 2.040 -3.454 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.414 1.964 -4.718 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.634 0.876 -2.692 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.838 0.724 -5.221 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.061 -0.363 -3.194 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.663 -0.439 -4.457 1.00 0.00 C ATOM 182 OH TYR A 89 -9.081 -1.659 -4.951 1.00 0.00 O ATOM 0 H TYR A 89 -7.946 5.776 -1.280 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.315 4.249 -3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.743 3.896 -3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.778 3.241 -2.003 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.553 2.860 -5.304 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.170 0.933 -1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.299 0.666 -6.196 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.925 -1.259 -2.606 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.884 -2.362 -4.297 1.00 0.00 H new ATOM 192 N GLU A 90 -10.399 2.816 -1.711 1.00 0.00 N ATOM 193 CA GLU A 90 -11.210 2.167 -0.628 1.00 0.00 C ATOM 194 C GLU A 90 -11.122 0.631 -0.720 1.00 0.00 C ATOM 195 O GLU A 90 -11.576 0.024 -1.670 1.00 0.00 O ATOM 196 CB GLU A 90 -12.654 2.646 -0.846 1.00 0.00 C ATOM 197 CG GLU A 90 -13.111 2.370 -2.289 1.00 0.00 C ATOM 198 CD GLU A 90 -13.285 3.693 -3.042 1.00 0.00 C ATOM 199 OE1 GLU A 90 -13.901 4.590 -2.491 1.00 0.00 O ATOM 200 OE2 GLU A 90 -12.799 3.786 -4.158 1.00 0.00 O ATOM 0 H GLU A 90 -10.700 2.596 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.843 2.438 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.319 2.140 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.723 3.713 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.378 1.745 -2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.051 1.818 -2.283 1.00 0.00 H new ATOM 207 N ALA A 91 -10.538 0.006 0.274 1.00 0.00 N ATOM 208 CA ALA A 91 -10.394 -1.492 0.283 1.00 0.00 C ATOM 209 C ALA A 91 -11.720 -2.204 -0.052 1.00 0.00 C ATOM 210 O ALA A 91 -12.770 -1.595 -0.083 1.00 0.00 O ATOM 211 CB ALA A 91 -9.963 -1.828 1.716 1.00 0.00 C ATOM 0 H ALA A 91 -10.148 0.473 1.093 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.680 -1.825 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.834 -2.906 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.021 -1.328 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.728 -1.489 2.415 1.00 0.00 H new ATOM 217 N ILE A 92 -11.662 -3.493 -0.312 1.00 0.00 N ATOM 218 CA ILE A 92 -12.901 -4.270 -0.648 1.00 0.00 C ATOM 219 C ILE A 92 -12.791 -5.713 -0.099 1.00 0.00 C ATOM 220 O ILE A 92 -13.620 -6.156 0.672 1.00 0.00 O ATOM 221 CB ILE A 92 -12.967 -4.283 -2.192 1.00 0.00 C ATOM 222 CG1 ILE A 92 -13.237 -2.865 -2.727 1.00 0.00 C ATOM 223 CG2 ILE A 92 -14.089 -5.220 -2.672 1.00 0.00 C ATOM 224 CD1 ILE A 92 -14.581 -2.338 -2.202 1.00 0.00 C ATOM 0 H ILE A 92 -10.803 -4.042 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 92 -13.795 -3.827 -0.208 1.00 0.00 H new ATOM 0 HB ILE A 92 -12.009 -4.639 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -12.433 -2.196 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -13.245 -2.877 -3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -14.123 -5.219 -3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -13.895 -6.232 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -15.045 -4.874 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -14.755 -1.335 -2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -15.384 -2.998 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -14.559 -2.307 -1.113 1.00 0.00 H new ATOM 236 N HIS A 93 -11.787 -6.449 -0.516 1.00 0.00 N ATOM 237 CA HIS A 93 -11.632 -7.876 -0.058 1.00 0.00 C ATOM 238 C HIS A 93 -11.378 -7.969 1.457 1.00 0.00 C ATOM 239 O HIS A 93 -11.443 -6.988 2.167 1.00 0.00 O ATOM 240 CB HIS A 93 -10.425 -8.411 -0.838 1.00 0.00 C ATOM 241 CG HIS A 93 -10.910 -9.120 -2.073 1.00 0.00 C ATOM 242 ND1 HIS A 93 -10.715 -10.477 -2.275 1.00 0.00 N ATOM 243 CD2 HIS A 93 -11.608 -8.675 -3.168 1.00 0.00 C ATOM 244 CE1 HIS A 93 -11.288 -10.799 -3.449 1.00 0.00 C ATOM 245 NE2 HIS A 93 -11.847 -9.736 -4.035 1.00 0.00 N ATOM 0 H HIS A 93 -11.063 -6.125 -1.157 1.00 0.00 H new ATOM 0 HA HIS A 93 -12.540 -8.451 -0.242 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.761 -7.591 -1.112 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -9.848 -9.094 -0.215 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -11.924 -7.655 -3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -11.295 -11.795 -3.867 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -12.342 -9.709 -4.926 1.00 0.00 H new ATOM 253 N HIS A 94 -11.096 -9.157 1.949 1.00 0.00 N ATOM 254 CA HIS A 94 -10.846 -9.338 3.419 1.00 0.00 C ATOM 255 C HIS A 94 -9.587 -8.574 3.837 1.00 0.00 C ATOM 256 O HIS A 94 -9.675 -7.472 4.348 1.00 0.00 O ATOM 257 CB HIS A 94 -10.653 -10.848 3.616 1.00 0.00 C ATOM 258 CG HIS A 94 -11.927 -11.466 4.117 1.00 0.00 C ATOM 259 ND1 HIS A 94 -13.068 -11.531 3.337 1.00 0.00 N ATOM 260 CD2 HIS A 94 -12.257 -12.053 5.314 1.00 0.00 C ATOM 261 CE1 HIS A 94 -14.024 -12.138 4.065 1.00 0.00 C ATOM 262 NE2 HIS A 94 -13.582 -12.477 5.278 1.00 0.00 N ATOM 0 H HIS A 94 -11.028 -10.010 1.394 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.667 -8.956 4.025 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -10.360 -11.312 2.674 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.846 -11.031 4.326 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.590 -12.168 6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.026 -12.328 3.711 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -14.103 -12.946 6.019 1.00 0.00 H new ATOM 270 N GLU A 95 -8.417 -9.130 3.613 1.00 0.00 N ATOM 271 CA GLU A 95 -7.163 -8.408 3.982 1.00 0.00 C ATOM 272 C GLU A 95 -6.932 -7.294 2.963 1.00 0.00 C ATOM 273 O GLU A 95 -5.964 -7.292 2.230 1.00 0.00 O ATOM 274 CB GLU A 95 -6.044 -9.462 3.924 1.00 0.00 C ATOM 275 CG GLU A 95 -4.872 -9.069 4.846 1.00 0.00 C ATOM 276 CD GLU A 95 -5.362 -8.906 6.289 1.00 0.00 C ATOM 277 OE1 GLU A 95 -6.165 -9.720 6.718 1.00 0.00 O ATOM 278 OE2 GLU A 95 -4.924 -7.971 6.939 1.00 0.00 O ATOM 0 H GLU A 95 -8.281 -10.049 3.192 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.203 -7.952 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.438 -10.433 4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.688 -9.564 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.095 -9.832 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.424 -8.138 4.499 1.00 0.00 H new ATOM 285 N ASP A 96 -7.836 -6.352 2.920 1.00 0.00 N ATOM 286 CA ASP A 96 -7.722 -5.220 1.968 1.00 0.00 C ATOM 287 C ASP A 96 -7.203 -3.995 2.725 1.00 0.00 C ATOM 288 O ASP A 96 -7.254 -3.958 3.942 1.00 0.00 O ATOM 289 CB ASP A 96 -9.148 -5.013 1.452 1.00 0.00 C ATOM 290 CG ASP A 96 -10.108 -4.665 2.604 1.00 0.00 C ATOM 291 OD1 ASP A 96 -9.665 -4.635 3.744 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.276 -4.448 2.325 1.00 0.00 O ATOM 0 H ASP A 96 -8.662 -6.323 3.518 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.031 -5.398 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.158 -4.213 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.491 -5.917 0.949 1.00 0.00 H new ATOM 297 N LEU A 97 -6.687 -3.007 2.036 1.00 0.00 N ATOM 298 CA LEU A 97 -6.156 -1.810 2.757 1.00 0.00 C ATOM 299 C LEU A 97 -6.529 -0.510 2.041 1.00 0.00 C ATOM 300 O LEU A 97 -6.240 -0.324 0.873 1.00 0.00 O ATOM 301 CB LEU A 97 -4.637 -2.001 2.771 1.00 0.00 C ATOM 302 CG LEU A 97 -3.980 -0.909 3.623 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.489 -0.997 5.066 1.00 0.00 C ATOM 304 CD2 LEU A 97 -2.463 -1.107 3.612 1.00 0.00 C ATOM 0 H LEU A 97 -6.611 -2.977 1.019 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.575 -1.729 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.389 -2.984 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.248 -1.964 1.753 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.231 0.069 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.018 -0.218 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.570 -0.861 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.241 -1.974 5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.991 -0.333 4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.221 -2.087 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.095 -1.043 2.588 1.00 0.00 H new ATOM 316 N SER A 98 -7.148 0.396 2.753 1.00 0.00 N ATOM 317 CA SER A 98 -7.534 1.700 2.153 1.00 0.00 C ATOM 318 C SER A 98 -6.444 2.731 2.426 1.00 0.00 C ATOM 319 O SER A 98 -5.647 2.583 3.334 1.00 0.00 O ATOM 320 CB SER A 98 -8.819 2.108 2.876 1.00 0.00 C ATOM 321 OG SER A 98 -9.942 1.591 2.181 1.00 0.00 O ATOM 0 H SER A 98 -7.403 0.283 3.734 1.00 0.00 H new ATOM 0 HA SER A 98 -7.672 1.633 1.074 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.807 1.732 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.885 3.194 2.936 1.00 0.00 H new ATOM 0 HG SER A 98 -10.764 1.852 2.647 1.00 0.00 H new ATOM 327 N PHE A 99 -6.415 3.779 1.654 1.00 0.00 N ATOM 328 CA PHE A 99 -5.393 4.847 1.864 1.00 0.00 C ATOM 329 C PHE A 99 -5.819 6.117 1.129 1.00 0.00 C ATOM 330 O PHE A 99 -6.944 6.224 0.667 1.00 0.00 O ATOM 331 CB PHE A 99 -4.057 4.300 1.333 1.00 0.00 C ATOM 332 CG PHE A 99 -4.216 3.702 -0.048 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.275 4.534 -1.169 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.287 2.313 -0.203 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.406 3.979 -2.447 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.420 1.756 -1.479 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.479 2.591 -2.604 1.00 0.00 C ATOM 0 H PHE A 99 -7.059 3.945 0.880 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.290 5.108 2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.320 5.103 1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.674 3.543 2.017 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.219 5.606 -1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.239 1.670 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.451 4.623 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.477 0.684 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.581 2.163 -3.590 1.00 0.00 H new ATOM 347 N GLN A 100 -4.951 7.091 1.046 1.00 0.00 N ATOM 348 CA GLN A 100 -5.334 8.368 0.379 1.00 0.00 C ATOM 349 C GLN A 100 -4.388 8.725 -0.773 1.00 0.00 C ATOM 350 O GLN A 100 -3.495 7.983 -1.130 1.00 0.00 O ATOM 351 CB GLN A 100 -5.273 9.429 1.488 1.00 0.00 C ATOM 352 CG GLN A 100 -6.641 10.104 1.629 1.00 0.00 C ATOM 353 CD GLN A 100 -6.906 10.430 3.100 1.00 0.00 C ATOM 354 OE1 GLN A 100 -7.487 9.639 3.815 1.00 0.00 O ATOM 355 NE2 GLN A 100 -6.499 11.572 3.586 1.00 0.00 N ATOM 0 H GLN A 100 -3.999 7.057 1.409 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.323 8.295 -0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.985 8.967 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.512 10.173 1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.670 11.016 1.033 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.422 9.448 1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.011 12.237 2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.669 11.799 4.566 1.00 0.00 H new ATOM 364 N LYS A 101 -4.644 9.851 -1.377 1.00 0.00 N ATOM 365 CA LYS A 101 -3.848 10.322 -2.556 1.00 0.00 C ATOM 366 C LYS A 101 -2.363 10.548 -2.287 1.00 0.00 C ATOM 367 O LYS A 101 -1.567 10.584 -3.205 1.00 0.00 O ATOM 368 CB LYS A 101 -4.497 11.632 -2.953 1.00 0.00 C ATOM 369 CG LYS A 101 -3.953 12.065 -4.304 1.00 0.00 C ATOM 370 CD LYS A 101 -5.059 12.753 -5.094 1.00 0.00 C ATOM 371 CE LYS A 101 -6.095 11.713 -5.536 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.322 12.502 -5.837 1.00 0.00 N ATOM 0 H LYS A 101 -5.392 10.485 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.863 9.553 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.580 11.516 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.293 12.396 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.110 12.743 -4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.581 11.200 -4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.535 13.519 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.639 13.257 -5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.754 11.163 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.279 10.980 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.080 11.861 -6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.627 13.010 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.118 13.187 -6.592 1.00 0.00 H new ATOM 386 N GLY A 102 -1.995 10.735 -1.071 1.00 0.00 N ATOM 387 CA GLY A 102 -0.556 10.990 -0.749 1.00 0.00 C ATOM 388 C GLY A 102 -0.213 10.303 0.563 1.00 0.00 C ATOM 389 O GLY A 102 0.450 10.860 1.418 1.00 0.00 O ATOM 0 H GLY A 102 -2.623 10.725 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.081 10.613 -1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.372 12.062 -0.672 1.00 0.00 H new ATOM 393 N ASP A 103 -0.672 9.095 0.724 1.00 0.00 N ATOM 394 CA ASP A 103 -0.389 8.347 1.998 1.00 0.00 C ATOM 395 C ASP A 103 0.896 7.521 1.901 1.00 0.00 C ATOM 396 O ASP A 103 1.470 7.373 0.847 1.00 0.00 O ATOM 397 CB ASP A 103 -1.597 7.438 2.220 1.00 0.00 C ATOM 398 CG ASP A 103 -2.640 8.179 3.064 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.734 9.388 2.929 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.329 7.522 3.827 1.00 0.00 O ATOM 0 H ASP A 103 -1.229 8.587 0.037 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.238 9.038 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.028 7.146 1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.289 6.522 2.724 1.00 0.00 H new ATOM 405 N GLN A 104 1.329 6.963 3.004 1.00 0.00 N ATOM 406 CA GLN A 104 2.554 6.119 3.001 1.00 0.00 C ATOM 407 C GLN A 104 2.234 4.740 3.584 1.00 0.00 C ATOM 408 O GLN A 104 1.558 4.624 4.589 1.00 0.00 O ATOM 409 CB GLN A 104 3.561 6.853 3.889 1.00 0.00 C ATOM 410 CG GLN A 104 4.396 7.809 3.033 1.00 0.00 C ATOM 411 CD GLN A 104 5.845 7.810 3.530 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.420 8.856 3.760 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.464 6.673 3.707 1.00 0.00 N ATOM 0 H GLN A 104 0.878 7.060 3.914 1.00 0.00 H new ATOM 0 HA GLN A 104 2.945 5.966 1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.038 7.408 4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.211 6.135 4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.360 7.503 1.987 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.982 8.816 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.982 5.795 3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.429 6.664 4.038 1.00 0.00 H new ATOM 422 N MET A 105 2.716 3.704 2.959 1.00 0.00 N ATOM 423 CA MET A 105 2.453 2.320 3.455 1.00 0.00 C ATOM 424 C MET A 105 3.692 1.464 3.228 1.00 0.00 C ATOM 425 O MET A 105 4.483 1.738 2.349 1.00 0.00 O ATOM 426 CB MET A 105 1.282 1.805 2.610 1.00 0.00 C ATOM 427 CG MET A 105 0.067 2.713 2.812 1.00 0.00 C ATOM 428 SD MET A 105 -1.374 1.990 1.982 1.00 0.00 S ATOM 429 CE MET A 105 -0.875 2.363 0.283 1.00 0.00 C ATOM 0 H MET A 105 3.288 3.755 2.116 1.00 0.00 H new ATOM 0 HA MET A 105 2.220 2.290 4.519 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.562 1.783 1.557 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.036 0.782 2.895 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.136 2.835 3.876 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.271 3.706 2.411 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.680 2.895 -0.224 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.020 2.985 0.295 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.664 1.434 -0.246 1.00 0.00 H new ATOM 439 N VAL A 106 3.866 0.434 4.006 1.00 0.00 N ATOM 440 CA VAL A 106 5.054 -0.442 3.817 1.00 0.00 C ATOM 441 C VAL A 106 4.607 -1.693 3.078 1.00 0.00 C ATOM 442 O VAL A 106 3.477 -2.110 3.190 1.00 0.00 O ATOM 443 CB VAL A 106 5.559 -0.792 5.216 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.853 -1.598 5.109 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.828 0.492 6.012 1.00 0.00 C ATOM 0 H VAL A 106 3.239 0.161 4.763 1.00 0.00 H new ATOM 0 HA VAL A 106 5.844 0.038 3.240 1.00 0.00 H new ATOM 0 HB VAL A 106 4.800 -1.383 5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.211 -1.846 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.665 -2.516 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.608 -1.007 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.188 0.234 7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.582 1.088 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.906 1.067 6.097 1.00 0.00 H new ATOM 455 N VAL A 107 5.472 -2.292 2.324 1.00 0.00 N ATOM 456 CA VAL A 107 5.073 -3.518 1.568 1.00 0.00 C ATOM 457 C VAL A 107 5.456 -4.776 2.346 1.00 0.00 C ATOM 458 O VAL A 107 6.530 -4.883 2.906 1.00 0.00 O ATOM 459 CB VAL A 107 5.807 -3.457 0.221 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.419 -4.669 -0.631 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.402 -2.180 -0.521 1.00 0.00 C ATOM 0 H VAL A 107 6.438 -1.994 2.193 1.00 0.00 H new ATOM 0 HA VAL A 107 3.994 -3.558 1.419 1.00 0.00 H new ATOM 0 HB VAL A 107 6.883 -3.460 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 107 5.941 -4.624 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.696 -5.585 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.343 -4.662 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.922 -2.135 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.326 -2.185 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.670 -1.310 0.079 1.00 0.00 H new ATOM 471 N LEU A 108 4.581 -5.732 2.356 1.00 0.00 N ATOM 472 CA LEU A 108 4.847 -7.016 3.056 1.00 0.00 C ATOM 473 C LEU A 108 5.307 -8.056 2.024 1.00 0.00 C ATOM 474 O LEU A 108 6.009 -8.997 2.343 1.00 0.00 O ATOM 475 CB LEU A 108 3.492 -7.430 3.646 1.00 0.00 C ATOM 476 CG LEU A 108 3.139 -6.566 4.865 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.265 -5.396 4.426 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.362 -7.415 5.881 1.00 0.00 C ATOM 0 H LEU A 108 3.671 -5.679 1.899 1.00 0.00 H new ATOM 0 HA LEU A 108 5.617 -6.932 3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.715 -7.331 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.523 -8.480 3.936 1.00 0.00 H new ATOM 0 HG LEU A 108 4.056 -6.190 5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.015 -4.783 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.805 -4.791 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.349 -5.776 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.110 -6.804 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.447 -7.787 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.977 -8.258 6.197 1.00 0.00 H new ATOM 490 N GLU A 109 4.909 -7.882 0.784 1.00 0.00 N ATOM 491 CA GLU A 109 5.308 -8.840 -0.290 1.00 0.00 C ATOM 492 C GLU A 109 5.244 -8.154 -1.663 1.00 0.00 C ATOM 493 O GLU A 109 4.409 -7.301 -1.896 1.00 0.00 O ATOM 494 CB GLU A 109 4.278 -9.968 -0.215 1.00 0.00 C ATOM 495 CG GLU A 109 4.715 -10.996 0.831 1.00 0.00 C ATOM 496 CD GLU A 109 4.262 -12.391 0.394 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.622 -12.793 -0.700 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.564 -13.032 1.162 1.00 0.00 O ATOM 0 H GLU A 109 4.320 -7.110 0.471 1.00 0.00 H new ATOM 0 HA GLU A 109 6.327 -9.204 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.300 -9.564 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.177 -10.446 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.798 -10.974 0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.284 -10.749 1.801 1.00 0.00 H new ATOM 505 N GLU A 110 6.102 -8.534 -2.577 1.00 0.00 N ATOM 506 CA GLU A 110 6.074 -7.924 -3.945 1.00 0.00 C ATOM 507 C GLU A 110 5.375 -8.885 -4.912 1.00 0.00 C ATOM 508 O GLU A 110 5.488 -10.090 -4.777 1.00 0.00 O ATOM 509 CB GLU A 110 7.541 -7.750 -4.339 1.00 0.00 C ATOM 510 CG GLU A 110 8.196 -6.697 -3.444 1.00 0.00 C ATOM 511 CD GLU A 110 9.648 -7.093 -3.176 1.00 0.00 C ATOM 512 OE1 GLU A 110 10.410 -7.153 -4.127 1.00 0.00 O ATOM 513 OE2 GLU A 110 9.974 -7.331 -2.025 1.00 0.00 O ATOM 0 H GLU A 110 6.823 -9.242 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 110 5.537 -6.976 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.068 -8.700 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.613 -7.448 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 110 8.157 -5.719 -3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.651 -6.612 -2.504 1.00 0.00 H new ATOM 520 N SER A 111 4.649 -8.375 -5.875 1.00 0.00 N ATOM 521 CA SER A 111 3.945 -9.278 -6.839 1.00 0.00 C ATOM 522 C SER A 111 3.974 -8.691 -8.253 1.00 0.00 C ATOM 523 O SER A 111 4.671 -9.186 -9.122 1.00 0.00 O ATOM 524 CB SER A 111 2.513 -9.372 -6.319 1.00 0.00 C ATOM 525 OG SER A 111 1.749 -10.191 -7.193 1.00 0.00 O ATOM 0 H SER A 111 4.513 -7.377 -6.036 1.00 0.00 H new ATOM 0 HA SER A 111 4.420 -10.257 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.506 -9.789 -5.312 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.071 -8.378 -6.255 1.00 0.00 H new ATOM 0 HG SER A 111 0.829 -10.255 -6.861 1.00 0.00 H new ATOM 531 N GLY A 112 3.228 -7.641 -8.494 1.00 0.00 N ATOM 532 CA GLY A 112 3.215 -7.025 -9.855 1.00 0.00 C ATOM 533 C GLY A 112 2.029 -6.067 -9.988 1.00 0.00 C ATOM 534 O GLY A 112 2.182 -4.862 -9.920 1.00 0.00 O ATOM 0 H GLY A 112 2.628 -7.185 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.147 -6.488 -10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.150 -7.804 -10.615 1.00 0.00 H new ATOM 538 N GLU A 113 0.848 -6.596 -10.186 1.00 0.00 N ATOM 539 CA GLU A 113 -0.357 -5.725 -10.330 1.00 0.00 C ATOM 540 C GLU A 113 -1.085 -5.571 -8.985 1.00 0.00 C ATOM 541 O GLU A 113 -1.987 -4.764 -8.859 1.00 0.00 O ATOM 542 CB GLU A 113 -1.252 -6.447 -11.348 1.00 0.00 C ATOM 543 CG GLU A 113 -1.705 -5.463 -12.431 1.00 0.00 C ATOM 544 CD GLU A 113 -2.252 -6.239 -13.631 1.00 0.00 C ATOM 545 OE1 GLU A 113 -3.170 -7.019 -13.437 1.00 0.00 O ATOM 546 OE2 GLU A 113 -1.742 -6.040 -14.721 1.00 0.00 O ATOM 0 H GLU A 113 0.666 -7.597 -10.254 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.093 -4.719 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.708 -7.275 -11.801 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.120 -6.873 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.472 -4.798 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.869 -4.836 -12.741 1.00 0.00 H new ATOM 553 N TRP A 114 -0.715 -6.342 -7.987 1.00 0.00 N ATOM 554 CA TRP A 114 -1.401 -6.242 -6.661 1.00 0.00 C ATOM 555 C TRP A 114 -0.421 -6.547 -5.523 1.00 0.00 C ATOM 556 O TRP A 114 -0.042 -7.685 -5.318 1.00 0.00 O ATOM 557 CB TRP A 114 -2.498 -7.306 -6.712 1.00 0.00 C ATOM 558 CG TRP A 114 -3.632 -6.807 -7.544 1.00 0.00 C ATOM 559 CD1 TRP A 114 -3.987 -7.302 -8.753 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.561 -5.724 -7.256 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.075 -6.590 -9.224 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.466 -5.607 -8.337 1.00 0.00 C ATOM 563 CE3 TRP A 114 -4.705 -4.841 -6.172 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.478 -4.647 -8.342 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -5.721 -3.873 -6.173 1.00 0.00 C ATOM 566 CH2 TRP A 114 -6.606 -3.777 -7.257 1.00 0.00 C ATOM 0 H TRP A 114 0.032 -7.035 -8.036 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.796 -5.243 -6.477 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.104 -8.231 -7.132 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.845 -7.536 -5.704 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.500 -8.119 -9.265 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.533 -6.769 -10.118 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -4.029 -4.908 -5.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.157 -4.577 -9.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -5.822 -3.199 -5.335 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.386 -3.030 -7.253 1.00 0.00 H new ATOM 577 N TRP A 115 -0.011 -5.545 -4.782 1.00 0.00 N ATOM 578 CA TRP A 115 0.947 -5.791 -3.656 1.00 0.00 C ATOM 579 C TRP A 115 0.219 -5.738 -2.316 1.00 0.00 C ATOM 580 O TRP A 115 -0.802 -5.086 -2.173 1.00 0.00 O ATOM 581 CB TRP A 115 1.983 -4.655 -3.699 1.00 0.00 C ATOM 582 CG TRP A 115 2.550 -4.472 -5.075 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.664 -5.434 -6.023 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.087 -3.255 -5.662 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.231 -4.878 -7.156 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.510 -3.537 -6.983 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.244 -1.945 -5.179 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.069 -2.550 -7.794 1.00 0.00 C ATOM 589 CZ3 TRP A 115 3.807 -0.950 -5.992 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.218 -1.252 -7.298 1.00 0.00 C ATOM 0 H TRP A 115 -0.296 -4.573 -4.906 1.00 0.00 H new ATOM 0 HA TRP A 115 1.410 -6.772 -3.760 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.518 -3.726 -3.371 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.790 -4.872 -2.999 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.362 -6.465 -5.912 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.420 -5.396 -8.014 1.00 0.00 H new ATOM 0 HE3 TRP A 115 2.929 -1.702 -4.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.385 -2.787 -8.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 3.924 0.053 -5.610 1.00 0.00 H new ATOM 0 HH2 TRP A 115 4.649 -0.482 -7.920 1.00 0.00 H new ATOM 601 N LYS A 116 0.766 -6.391 -1.325 1.00 0.00 N ATOM 602 CA LYS A 116 0.143 -6.371 0.034 1.00 0.00 C ATOM 603 C LYS A 116 0.970 -5.455 0.944 1.00 0.00 C ATOM 604 O LYS A 116 2.126 -5.724 1.184 1.00 0.00 O ATOM 605 CB LYS A 116 0.215 -7.820 0.523 1.00 0.00 C ATOM 606 CG LYS A 116 -1.114 -8.208 1.174 1.00 0.00 C ATOM 607 CD LYS A 116 -0.946 -9.534 1.916 1.00 0.00 C ATOM 608 CE LYS A 116 -2.228 -9.853 2.687 1.00 0.00 C ATOM 609 NZ LYS A 116 -2.052 -11.253 3.162 1.00 0.00 N ATOM 0 H LYS A 116 1.622 -6.941 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.882 -6.001 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.431 -8.486 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.029 -7.933 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.434 -7.429 1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.891 -8.299 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.726 -10.333 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.101 -9.474 2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.367 -9.167 3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.106 -9.760 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.892 -11.545 3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.928 -11.884 2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.212 -11.309 3.773 1.00 0.00 H new ATOM 623 N ALA A 117 0.405 -4.373 1.434 1.00 0.00 N ATOM 624 CA ALA A 117 1.206 -3.447 2.298 1.00 0.00 C ATOM 625 C ALA A 117 0.511 -3.137 3.630 1.00 0.00 C ATOM 626 O ALA A 117 -0.648 -3.441 3.836 1.00 0.00 O ATOM 627 CB ALA A 117 1.339 -2.171 1.473 1.00 0.00 C ATOM 0 H ALA A 117 -0.563 -4.095 1.275 1.00 0.00 H new ATOM 0 HA ALA A 117 2.164 -3.895 2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.915 -1.434 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.849 -2.395 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.348 -1.771 1.259 1.00 0.00 H new ATOM 633 N ARG A 118 1.233 -2.512 4.532 1.00 0.00 N ATOM 634 CA ARG A 118 0.667 -2.156 5.849 1.00 0.00 C ATOM 635 C ARG A 118 0.614 -0.629 5.991 1.00 0.00 C ATOM 636 O ARG A 118 1.623 0.047 5.913 1.00 0.00 O ATOM 637 CB ARG A 118 1.641 -2.785 6.859 1.00 0.00 C ATOM 638 CG ARG A 118 1.315 -2.328 8.292 1.00 0.00 C ATOM 639 CD ARG A 118 2.575 -1.753 8.955 1.00 0.00 C ATOM 640 NE ARG A 118 2.192 -1.511 10.385 1.00 0.00 N ATOM 641 CZ ARG A 118 3.069 -1.080 11.271 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.316 -0.833 10.940 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.690 -0.892 12.506 1.00 0.00 N ATOM 0 H ARG A 118 2.205 -2.234 4.397 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.352 -2.514 5.997 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.584 -3.872 6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.664 -2.505 6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.527 -1.575 8.273 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.938 -3.169 8.875 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.410 -2.450 8.884 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.888 -0.829 8.470 1.00 0.00 H new ATOM 0 HE ARG A 118 1.231 -1.684 10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.626 -0.974 9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 118 4.974 -0.500 11.645 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.724 -1.078 12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.359 -0.559 13.200 1.00 0.00 H new ATOM 657 N SER A 119 -0.556 -0.092 6.212 1.00 0.00 N ATOM 658 CA SER A 119 -0.690 1.384 6.374 1.00 0.00 C ATOM 659 C SER A 119 -0.232 1.794 7.773 1.00 0.00 C ATOM 660 O SER A 119 -0.829 1.408 8.768 1.00 0.00 O ATOM 661 CB SER A 119 -2.179 1.678 6.195 1.00 0.00 C ATOM 662 OG SER A 119 -2.383 3.085 6.198 1.00 0.00 O ATOM 0 H SER A 119 -1.428 -0.615 6.288 1.00 0.00 H new ATOM 0 HA SER A 119 -0.082 1.935 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.536 1.249 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.752 1.214 6.998 1.00 0.00 H new ATOM 0 HG SER A 119 -3.337 3.277 6.082 1.00 0.00 H new ATOM 668 N LEU A 120 0.821 2.574 7.850 1.00 0.00 N ATOM 669 CA LEU A 120 1.331 3.024 9.181 1.00 0.00 C ATOM 670 C LEU A 120 0.322 3.972 9.837 1.00 0.00 C ATOM 671 O LEU A 120 0.311 4.136 11.042 1.00 0.00 O ATOM 672 CB LEU A 120 2.644 3.759 8.892 1.00 0.00 C ATOM 673 CG LEU A 120 3.711 2.754 8.453 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.795 3.474 7.649 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.339 2.107 9.690 1.00 0.00 C ATOM 0 H LEU A 120 1.348 2.917 7.047 1.00 0.00 H new ATOM 0 HA LEU A 120 1.481 2.188 9.864 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.490 4.505 8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.977 4.292 9.782 1.00 0.00 H new ATOM 0 HG LEU A 120 3.251 1.985 7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.554 2.756 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.349 3.936 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.256 4.244 8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.100 1.391 9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.798 2.877 10.310 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.568 1.592 10.262 1.00 0.00 H new ATOM 687 N ALA A 121 -0.530 4.594 9.054 1.00 0.00 N ATOM 688 CA ALA A 121 -1.546 5.522 9.639 1.00 0.00 C ATOM 689 C ALA A 121 -2.463 4.748 10.594 1.00 0.00 C ATOM 690 O ALA A 121 -3.040 5.311 11.507 1.00 0.00 O ATOM 691 CB ALA A 121 -2.339 6.061 8.442 1.00 0.00 C ATOM 0 H ALA A 121 -0.564 4.498 8.039 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.091 6.330 10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.106 6.751 8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.664 6.584 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.812 5.232 7.916 1.00 0.00 H new ATOM 697 N THR A 122 -2.592 3.458 10.394 1.00 0.00 N ATOM 698 CA THR A 122 -3.458 2.631 11.288 1.00 0.00 C ATOM 699 C THR A 122 -2.785 1.284 11.612 1.00 0.00 C ATOM 700 O THR A 122 -3.399 0.404 12.185 1.00 0.00 O ATOM 701 CB THR A 122 -4.744 2.404 10.489 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.414 1.900 9.202 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.508 3.723 10.339 1.00 0.00 C ATOM 0 H THR A 122 -2.131 2.941 9.645 1.00 0.00 H new ATOM 0 HA THR A 122 -3.643 3.124 12.243 1.00 0.00 H new ATOM 0 HB THR A 122 -5.372 1.687 11.017 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.235 1.752 8.688 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.421 3.552 9.769 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.763 4.110 11.326 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.884 4.447 9.815 1.00 0.00 H new ATOM 711 N ARG A 123 -1.530 1.109 11.247 1.00 0.00 N ATOM 712 CA ARG A 123 -0.819 -0.186 11.523 1.00 0.00 C ATOM 713 C ARG A 123 -1.619 -1.368 10.970 1.00 0.00 C ATOM 714 O ARG A 123 -1.540 -2.471 11.478 1.00 0.00 O ATOM 715 CB ARG A 123 -0.715 -0.296 13.046 1.00 0.00 C ATOM 716 CG ARG A 123 0.087 0.882 13.599 1.00 0.00 C ATOM 717 CD ARG A 123 0.846 0.431 14.852 1.00 0.00 C ATOM 718 NE ARG A 123 0.723 1.567 15.834 1.00 0.00 N ATOM 719 CZ ARG A 123 1.174 2.777 15.581 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.878 3.033 14.505 1.00 0.00 N ATOM 721 NH2 ARG A 123 0.952 3.730 16.443 1.00 0.00 N ATOM 0 H ARG A 123 -0.967 1.812 10.768 1.00 0.00 H new ATOM 0 HA ARG A 123 0.162 -0.205 11.047 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.712 -0.308 13.487 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.234 -1.235 13.320 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.787 1.246 12.847 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.580 1.710 13.841 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.420 -0.486 15.259 1.00 0.00 H new ATOM 0 HD3 ARG A 123 1.891 0.223 14.623 1.00 0.00 H new ATOM 0 HE ARG A 123 0.272 1.391 16.732 1.00 0.00 H new ATOM 0 HH11 ARG A 123 2.087 2.286 13.843 1.00 0.00 H new ATOM 0 HH12 ARG A 123 2.217 3.979 14.330 1.00 0.00 H new ATOM 0 HH21 ARG A 123 0.435 3.532 17.300 1.00 0.00 H new ATOM 0 HH22 ARG A 123 1.295 4.673 16.261 1.00 0.00 H new ATOM 735 N LYS A 124 -2.374 -1.149 9.925 1.00 0.00 N ATOM 736 CA LYS A 124 -3.166 -2.266 9.329 1.00 0.00 C ATOM 737 C LYS A 124 -2.470 -2.741 8.068 1.00 0.00 C ATOM 738 O LYS A 124 -1.509 -2.146 7.648 1.00 0.00 O ATOM 739 CB LYS A 124 -4.524 -1.670 8.979 1.00 0.00 C ATOM 740 CG LYS A 124 -5.196 -1.129 10.241 1.00 0.00 C ATOM 741 CD LYS A 124 -6.684 -0.915 9.966 1.00 0.00 C ATOM 742 CE LYS A 124 -7.404 -0.597 11.277 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.783 -1.132 11.099 1.00 0.00 N ATOM 0 H LYS A 124 -2.476 -0.247 9.459 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.267 -3.113 10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.402 -0.869 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.156 -2.429 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.063 -1.829 11.066 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.731 -0.190 10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.820 -0.099 9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -7.113 -1.808 9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -6.905 -1.066 12.125 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.419 0.476 11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.339 -0.951 11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.236 -0.662 10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.738 -2.156 10.925 1.00 0.00 H new ATOM 757 N GLU A 125 -2.951 -3.787 7.452 1.00 0.00 N ATOM 758 CA GLU A 125 -2.296 -4.271 6.201 1.00 0.00 C ATOM 759 C GLU A 125 -3.270 -5.046 5.329 1.00 0.00 C ATOM 760 O GLU A 125 -4.108 -5.789 5.804 1.00 0.00 O ATOM 761 CB GLU A 125 -1.122 -5.156 6.641 1.00 0.00 C ATOM 762 CG GLU A 125 -1.602 -6.245 7.601 1.00 0.00 C ATOM 763 CD GLU A 125 -1.494 -5.742 9.041 1.00 0.00 C ATOM 764 OE1 GLU A 125 -0.476 -5.151 9.365 1.00 0.00 O ATOM 765 OE2 GLU A 125 -2.427 -5.959 9.797 1.00 0.00 O ATOM 0 H GLU A 125 -3.763 -4.324 7.757 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.950 -3.433 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.656 -5.613 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.361 -4.545 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.634 -6.514 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.002 -7.146 7.474 1.00 0.00 H new ATOM 772 N GLY A 126 -3.146 -4.870 4.046 1.00 0.00 N ATOM 773 CA GLY A 126 -4.033 -5.575 3.092 1.00 0.00 C ATOM 774 C GLY A 126 -3.486 -5.386 1.682 1.00 0.00 C ATOM 775 O GLY A 126 -2.293 -5.300 1.482 1.00 0.00 O ATOM 0 H GLY A 126 -2.455 -4.257 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.085 -6.636 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -5.048 -5.182 3.159 1.00 0.00 H new ATOM 779 N TYR A 127 -4.356 -5.305 0.717 1.00 0.00 N ATOM 780 CA TYR A 127 -3.919 -5.126 -0.697 1.00 0.00 C ATOM 781 C TYR A 127 -3.901 -3.642 -1.049 1.00 0.00 C ATOM 782 O TYR A 127 -4.514 -2.831 -0.383 1.00 0.00 O ATOM 783 CB TYR A 127 -4.990 -5.838 -1.542 1.00 0.00 C ATOM 784 CG TYR A 127 -5.175 -7.266 -1.084 1.00 0.00 C ATOM 785 CD1 TYR A 127 -4.164 -8.210 -1.291 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.363 -7.639 -0.447 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.343 -9.529 -0.862 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.544 -8.955 -0.017 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.532 -9.903 -0.223 1.00 0.00 C ATOM 790 OH TYR A 127 -5.708 -11.204 0.202 1.00 0.00 O ATOM 0 H TYR A 127 -5.366 -5.356 0.848 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.919 -5.525 -0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.936 -5.302 -1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.700 -5.823 -2.592 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.246 -7.921 -1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.142 -6.908 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.564 -10.260 -1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.462 -9.242 0.474 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.587 -11.294 0.626 1.00 0.00 H new ATOM 800 N ILE A 128 -3.203 -3.286 -2.093 1.00 0.00 N ATOM 801 CA ILE A 128 -3.136 -1.851 -2.507 1.00 0.00 C ATOM 802 C ILE A 128 -2.911 -1.756 -4.026 1.00 0.00 C ATOM 803 O ILE A 128 -1.916 -2.248 -4.520 1.00 0.00 O ATOM 804 CB ILE A 128 -1.959 -1.224 -1.737 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.720 -2.134 -1.778 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.375 -1.002 -0.281 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.545 -1.278 -1.689 1.00 0.00 C ATOM 0 H ILE A 128 -2.673 -3.929 -2.681 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.064 -1.325 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.703 -0.275 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.750 -2.844 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.714 -2.716 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.546 -0.558 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.234 -0.332 -0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.641 -1.957 0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.423 -1.923 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.575 -0.585 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.539 -0.715 -0.755 1.00 0.00 H new ATOM 819 N PRO A 129 -3.854 -1.143 -4.736 1.00 0.00 N ATOM 820 CA PRO A 129 -3.747 -1.010 -6.221 1.00 0.00 C ATOM 821 C PRO A 129 -2.320 -0.674 -6.678 1.00 0.00 C ATOM 822 O PRO A 129 -1.888 0.464 -6.635 1.00 0.00 O ATOM 823 CB PRO A 129 -4.693 0.138 -6.546 1.00 0.00 C ATOM 824 CG PRO A 129 -5.709 0.147 -5.447 1.00 0.00 C ATOM 825 CD PRO A 129 -5.097 -0.522 -4.239 1.00 0.00 C ATOM 0 HA PRO A 129 -3.996 -1.941 -6.729 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.157 1.086 -6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -5.167 -0.008 -7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.003 1.169 -5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.611 -0.380 -5.758 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.889 0.201 -3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.770 -1.269 -3.818 1.00 0.00 H new ATOM 833 N SER A 130 -1.601 -1.668 -7.121 1.00 0.00 N ATOM 834 CA SER A 130 -0.200 -1.446 -7.593 1.00 0.00 C ATOM 835 C SER A 130 -0.166 -0.477 -8.784 1.00 0.00 C ATOM 836 O SER A 130 0.865 0.095 -9.089 1.00 0.00 O ATOM 837 CB SER A 130 0.293 -2.829 -8.024 1.00 0.00 C ATOM 838 OG SER A 130 0.246 -3.714 -6.911 1.00 0.00 O ATOM 0 H SER A 130 -1.925 -2.634 -7.178 1.00 0.00 H new ATOM 0 HA SER A 130 0.422 -1.004 -6.815 1.00 0.00 H new ATOM 0 HB2 SER A 130 -0.327 -3.212 -8.834 1.00 0.00 H new ATOM 0 HB3 SER A 130 1.311 -2.762 -8.407 1.00 0.00 H new ATOM 0 HG SER A 130 1.158 -3.917 -6.615 1.00 0.00 H new ATOM 844 N ASN A 131 -1.273 -0.297 -9.465 1.00 0.00 N ATOM 845 CA ASN A 131 -1.282 0.632 -10.639 1.00 0.00 C ATOM 846 C ASN A 131 -1.586 2.080 -10.215 1.00 0.00 C ATOM 847 O ASN A 131 -1.943 2.904 -11.037 1.00 0.00 O ATOM 848 CB ASN A 131 -2.369 0.097 -11.578 1.00 0.00 C ATOM 849 CG ASN A 131 -3.722 0.087 -10.864 1.00 0.00 C ATOM 850 OD1 ASN A 131 -4.176 1.104 -10.387 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.383 -1.033 -10.759 1.00 0.00 N ATOM 0 H ASN A 131 -2.164 -0.749 -9.261 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.306 0.663 -11.123 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.426 0.718 -12.472 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -2.114 -0.911 -11.905 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.281 -1.052 -10.276 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.002 -1.890 -11.160 1.00 0.00 H new ATOM 858 N TYR A 132 -1.441 2.404 -8.948 1.00 0.00 N ATOM 859 CA TYR A 132 -1.697 3.813 -8.488 1.00 0.00 C ATOM 860 C TYR A 132 -0.847 4.118 -7.248 1.00 0.00 C ATOM 861 O TYR A 132 -1.323 4.693 -6.286 1.00 0.00 O ATOM 862 CB TYR A 132 -3.189 3.895 -8.126 1.00 0.00 C ATOM 863 CG TYR A 132 -4.026 4.216 -9.352 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.638 5.233 -10.239 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.198 3.493 -9.600 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.416 5.516 -11.365 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.975 3.777 -10.727 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.585 4.787 -11.609 1.00 0.00 C ATOM 869 OH TYR A 132 -6.351 5.064 -12.723 1.00 0.00 O ATOM 0 H TYR A 132 -1.157 1.756 -8.213 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.438 4.533 -9.264 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.516 2.949 -7.695 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.342 4.661 -7.366 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.737 5.798 -10.051 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.503 2.713 -8.918 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.115 6.298 -12.047 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.878 3.215 -10.916 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.127 4.466 -12.743 1.00 0.00 H new ATOM 879 N VAL A 133 0.406 3.738 -7.266 1.00 0.00 N ATOM 880 CA VAL A 133 1.286 3.996 -6.085 1.00 0.00 C ATOM 881 C VAL A 133 2.758 4.080 -6.504 1.00 0.00 C ATOM 882 O VAL A 133 3.124 3.745 -7.615 1.00 0.00 O ATOM 883 CB VAL A 133 1.045 2.802 -5.148 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.328 1.485 -5.881 1.00 0.00 C ATOM 885 CG2 VAL A 133 1.946 2.894 -3.914 1.00 0.00 C ATOM 0 H VAL A 133 0.857 3.261 -8.046 1.00 0.00 H new ATOM 0 HA VAL A 133 1.058 4.947 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 133 0.002 2.826 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.153 0.648 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.667 1.399 -6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.365 1.471 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.760 2.040 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 133 2.991 2.893 -4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.730 3.816 -3.373 1.00 0.00 H new ATOM 895 N ALA A 134 3.596 4.521 -5.606 1.00 0.00 N ATOM 896 CA ALA A 134 5.058 4.636 -5.917 1.00 0.00 C ATOM 897 C ALA A 134 5.885 3.829 -4.905 1.00 0.00 C ATOM 898 O ALA A 134 5.596 3.823 -3.725 1.00 0.00 O ATOM 899 CB ALA A 134 5.370 6.128 -5.796 1.00 0.00 C ATOM 0 H ALA A 134 3.333 4.809 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 134 5.301 4.245 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.425 6.297 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.762 6.686 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.146 6.466 -4.784 1.00 0.00 H new ATOM 905 N ARG A 135 6.904 3.137 -5.364 1.00 0.00 N ATOM 906 CA ARG A 135 7.737 2.316 -4.448 1.00 0.00 C ATOM 907 C ARG A 135 9.063 3.007 -4.098 1.00 0.00 C ATOM 908 O ARG A 135 9.889 3.274 -4.949 1.00 0.00 O ATOM 909 CB ARG A 135 7.994 1.032 -5.234 1.00 0.00 C ATOM 910 CG ARG A 135 8.859 0.075 -4.413 1.00 0.00 C ATOM 911 CD ARG A 135 8.009 -1.097 -3.903 1.00 0.00 C ATOM 912 NE ARG A 135 8.901 -2.315 -3.963 1.00 0.00 N ATOM 913 CZ ARG A 135 9.450 -2.743 -5.084 1.00 0.00 C ATOM 914 NH1 ARG A 135 9.143 -2.209 -6.240 1.00 0.00 N ATOM 915 NH2 ARG A 135 10.288 -3.743 -5.046 1.00 0.00 N ATOM 0 H ARG A 135 7.190 3.111 -6.343 1.00 0.00 H new ATOM 0 HA ARG A 135 7.239 2.145 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.047 0.554 -5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.491 1.266 -6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.681 -0.300 -5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.304 0.606 -3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 135 7.665 -0.915 -2.885 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.121 -1.233 -4.520 1.00 0.00 H new ATOM 0 HE ARG A 135 9.087 -2.828 -3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 135 8.467 -1.446 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 135 9.580 -2.556 -7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.513 -4.186 -4.155 1.00 0.00 H new ATOM 0 HH22 ARG A 135 10.718 -4.081 -5.907 1.00 0.00 H new ATOM 929 N VAL A 136 9.270 3.247 -2.836 1.00 0.00 N ATOM 930 CA VAL A 136 10.537 3.866 -2.355 1.00 0.00 C ATOM 931 C VAL A 136 11.205 2.923 -1.338 1.00 0.00 C ATOM 932 O VAL A 136 10.538 2.241 -0.576 1.00 0.00 O ATOM 933 CB VAL A 136 10.128 5.182 -1.690 1.00 0.00 C ATOM 934 CG1 VAL A 136 9.539 6.122 -2.742 1.00 0.00 C ATOM 935 CG2 VAL A 136 9.090 4.923 -0.593 1.00 0.00 C ATOM 0 H VAL A 136 8.598 3.035 -2.098 1.00 0.00 H new ATOM 0 HA VAL A 136 11.250 4.041 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 136 11.008 5.640 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.247 7.060 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.285 6.320 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.664 5.657 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.808 5.868 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.207 4.456 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.515 4.261 0.161 1.00 0.00 H new ATOM 945 N ASP A 137 12.513 2.866 -1.333 1.00 0.00 N ATOM 946 CA ASP A 137 13.232 1.978 -0.399 1.00 0.00 C ATOM 947 C ASP A 137 13.888 2.808 0.713 1.00 0.00 C ATOM 948 O ASP A 137 15.046 2.623 1.036 1.00 0.00 O ATOM 949 CB ASP A 137 14.283 1.277 -1.278 1.00 0.00 C ATOM 950 CG ASP A 137 15.237 2.309 -1.896 1.00 0.00 C ATOM 951 OD1 ASP A 137 16.114 2.778 -1.190 1.00 0.00 O ATOM 952 OD2 ASP A 137 15.072 2.609 -3.066 1.00 0.00 O ATOM 0 H ASP A 137 13.114 3.411 -1.951 1.00 0.00 H new ATOM 0 HA ASP A 137 12.582 1.261 0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 137 14.848 0.562 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 137 13.788 0.711 -2.067 1.00 0.00 H new ATOM 957 N SER A 138 13.150 3.714 1.300 1.00 0.00 N ATOM 958 CA SER A 138 13.719 4.558 2.393 1.00 0.00 C ATOM 959 C SER A 138 12.761 4.598 3.586 1.00 0.00 C ATOM 960 O SER A 138 11.866 5.426 3.576 1.00 0.00 O ATOM 961 CB SER A 138 13.868 5.949 1.775 1.00 0.00 C ATOM 962 OG SER A 138 14.746 6.729 2.578 1.00 0.00 O ATOM 0 H SER A 138 12.175 3.906 1.069 1.00 0.00 H new ATOM 0 HA SER A 138 14.668 4.171 2.765 1.00 0.00 H new ATOM 0 HB2 SER A 138 14.259 5.869 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 138 12.894 6.434 1.704 1.00 0.00 H new ATOM 0 HG SER A 138 14.845 7.621 2.184 1.00 0.00 H new TER 968 SER A 138