USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 553 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 6 TYR OH : rot 180:sc= 0.691 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 147:sc= 0.764 (180deg=0) USER MOD Set 2.1: A 14 HIS :FLIP no HD1:sc= -0.0922 F(o=-2.6,f=-0.39) USER MOD Set 2.2: A 15 CYS SG : rot -9:sc= -0.294 USER MOD Set 2.3: A 59 TYR OH : rot 15:sc= 0 USER MOD Set 3.1: A 1 MET CE :methyl 167:sc=-0.000618 (180deg=-0.167) USER MOD Set 3.2: A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 132:sc= 1.52 (180deg=0.108) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -137:sc= 0.786 (180deg=-0.0626) USER MOD Single : A 17 MET CE :methyl 179:sc= 0 (180deg=-0.00128) USER MOD Single : A 20 SER OG : rot 180:sc= -0.26 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0248) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.757 2.502 3.298 1.00 0.00 N ATOM 2 CA MET A 1 12.978 3.584 2.677 1.00 0.00 C ATOM 3 C MET A 1 11.510 3.275 2.895 1.00 0.00 C ATOM 4 O MET A 1 11.165 2.097 3.033 1.00 0.00 O ATOM 5 CB MET A 1 13.263 3.759 1.178 1.00 0.00 C ATOM 6 CG MET A 1 14.736 4.019 0.847 1.00 0.00 C ATOM 7 SD MET A 1 15.853 2.598 1.030 1.00 0.00 S ATOM 8 CE MET A 1 15.273 1.522 -0.311 1.00 0.00 C ATOM 0 H1 MET A 1 14.482 2.169 2.631 1.00 0.00 H new ATOM 0 H2 MET A 1 14.217 2.856 4.161 1.00 0.00 H new ATOM 0 H3 MET A 1 13.124 1.714 3.542 1.00 0.00 H new ATOM 0 HA MET A 1 13.267 4.525 3.144 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.936 2.863 0.650 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.665 4.588 0.800 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.800 4.377 -0.181 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.096 4.824 1.488 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.997 0.724 -0.476 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.311 1.088 -0.039 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.162 2.106 -1.224 1.00 0.00 H new ATOM 18 N ARG A 2 10.631 4.281 2.879 1.00 0.00 N ATOM 19 CA ARG A 2 9.195 4.041 2.823 1.00 0.00 C ATOM 20 C ARG A 2 8.583 4.871 1.702 1.00 0.00 C ATOM 21 O ARG A 2 9.225 5.793 1.200 1.00 0.00 O ATOM 22 CB ARG A 2 8.534 4.252 4.199 1.00 0.00 C ATOM 23 CG ARG A 2 8.541 5.699 4.694 1.00 0.00 C ATOM 24 CD ARG A 2 9.502 6.044 5.829 1.00 0.00 C ATOM 25 NE ARG A 2 9.154 5.421 7.112 1.00 0.00 N ATOM 26 CZ ARG A 2 9.360 5.941 8.328 1.00 0.00 C ATOM 27 NH1 ARG A 2 9.759 7.201 8.479 1.00 0.00 N ATOM 28 NH2 ARG A 2 9.151 5.173 9.386 1.00 0.00 N ATOM 0 H ARG A 2 10.893 5.266 2.904 1.00 0.00 H new ATOM 0 HA ARG A 2 9.004 2.995 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.502 3.904 4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.045 3.629 4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.773 6.345 3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.531 5.950 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.508 5.734 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.525 7.126 5.956 1.00 0.00 H new ATOM 0 HE ARG A 2 8.712 4.502 7.073 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.913 7.789 7.660 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.911 7.579 9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.840 4.209 9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.301 5.545 10.324 1.00 0.00 H new ATOM 42 N TYR A 3 7.361 4.530 1.300 1.00 0.00 N ATOM 43 CA TYR A 3 6.754 5.056 0.086 1.00 0.00 C ATOM 44 C TYR A 3 5.267 5.313 0.317 1.00 0.00 C ATOM 45 O TYR A 3 4.533 4.364 0.585 1.00 0.00 O ATOM 46 CB TYR A 3 6.974 4.074 -1.071 1.00 0.00 C ATOM 47 CG TYR A 3 8.428 3.724 -1.334 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.207 4.543 -2.174 1.00 0.00 C ATOM 49 CD2 TYR A 3 8.996 2.577 -0.739 1.00 0.00 C ATOM 50 CE1 TYR A 3 10.537 4.180 -2.455 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.338 2.236 -0.987 1.00 0.00 C ATOM 52 CZ TYR A 3 11.113 3.033 -1.862 1.00 0.00 C ATOM 53 OH TYR A 3 12.401 2.692 -2.153 1.00 0.00 O ATOM 0 H TYR A 3 6.764 3.879 1.811 1.00 0.00 H new ATOM 0 HA TYR A 3 7.224 6.004 -0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.425 3.156 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.546 4.500 -1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.787 5.443 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.396 1.957 -0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.124 4.784 -3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.775 1.370 -0.512 1.00 0.00 H new ATOM 0 HH TYR A 3 12.643 1.879 -1.662 1.00 0.00 H new ATOM 63 N VAL A 4 4.815 6.569 0.246 1.00 0.00 N ATOM 64 CA VAL A 4 3.413 6.972 0.398 1.00 0.00 C ATOM 65 C VAL A 4 2.667 6.697 -0.914 1.00 0.00 C ATOM 66 O VAL A 4 2.597 7.561 -1.794 1.00 0.00 O ATOM 67 CB VAL A 4 3.290 8.461 0.823 1.00 0.00 C ATOM 68 CG1 VAL A 4 1.896 8.750 1.393 1.00 0.00 C ATOM 69 CG2 VAL A 4 4.331 8.907 1.850 1.00 0.00 C ATOM 0 H VAL A 4 5.436 7.360 0.075 1.00 0.00 H new ATOM 0 HA VAL A 4 2.958 6.385 1.196 1.00 0.00 H new ATOM 0 HB VAL A 4 3.467 9.029 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.832 9.798 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.142 8.537 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.722 8.120 2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.176 9.958 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.230 8.307 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.331 8.774 1.436 1.00 0.00 H new ATOM 79 N LEU A 5 2.144 5.483 -1.079 1.00 0.00 N ATOM 80 CA LEU A 5 1.371 5.101 -2.259 1.00 0.00 C ATOM 81 C LEU A 5 -0.049 5.654 -2.124 1.00 0.00 C ATOM 82 O LEU A 5 -0.735 5.350 -1.141 1.00 0.00 O ATOM 83 CB LEU A 5 1.264 3.579 -2.422 1.00 0.00 C ATOM 84 CG LEU A 5 2.456 2.696 -2.041 1.00 0.00 C ATOM 85 CD1 LEU A 5 2.010 1.238 -2.202 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.690 2.976 -2.897 1.00 0.00 C ATOM 0 H LEU A 5 2.245 4.734 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 5 1.888 5.507 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.409 3.246 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.029 3.378 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 5 2.750 2.911 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.834 0.574 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.163 1.042 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.716 1.060 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.505 2.323 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.456 2.789 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.991 4.016 -2.773 1.00 0.00 H new ATOM 98 N TYR A 6 -0.510 6.414 -3.113 1.00 0.00 N ATOM 99 CA TYR A 6 -1.904 6.778 -3.285 1.00 0.00 C ATOM 100 C TYR A 6 -2.632 5.620 -3.956 1.00 0.00 C ATOM 101 O TYR A 6 -2.426 5.339 -5.139 1.00 0.00 O ATOM 102 CB TYR A 6 -2.019 8.089 -4.067 1.00 0.00 C ATOM 103 CG TYR A 6 -3.411 8.698 -4.122 1.00 0.00 C ATOM 104 CD1 TYR A 6 -4.256 8.710 -2.991 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.853 9.308 -5.308 1.00 0.00 C ATOM 106 CE1 TYR A 6 -5.527 9.304 -3.047 1.00 0.00 C ATOM 107 CE2 TYR A 6 -5.119 9.907 -5.367 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.972 9.902 -4.245 1.00 0.00 C ATOM 109 OH TYR A 6 -7.211 10.467 -4.323 1.00 0.00 O ATOM 0 H TYR A 6 0.097 6.802 -3.835 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.377 6.957 -2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.340 8.817 -3.623 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.677 7.915 -5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.920 8.256 -2.070 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.214 9.315 -6.179 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.163 9.303 -2.174 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.445 10.378 -6.283 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.348 10.832 -5.222 1.00 0.00 H new ATOM 119 N VAL A 7 -3.466 4.935 -3.181 1.00 0.00 N ATOM 120 CA VAL A 7 -4.249 3.784 -3.597 1.00 0.00 C ATOM 121 C VAL A 7 -5.717 4.182 -3.385 1.00 0.00 C ATOM 122 O VAL A 7 -6.267 3.922 -2.311 1.00 0.00 O ATOM 123 CB VAL A 7 -3.811 2.540 -2.799 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.500 1.268 -3.314 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.291 2.323 -2.862 1.00 0.00 C ATOM 0 H VAL A 7 -3.619 5.180 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.102 3.513 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.107 2.728 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.167 0.411 -2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.580 1.375 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.242 1.113 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.026 1.436 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.986 2.187 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.782 3.192 -2.445 1.00 0.00 H new ATOM 135 N PRO A 8 -6.352 4.864 -4.358 1.00 0.00 N ATOM 136 CA PRO A 8 -7.661 5.482 -4.167 1.00 0.00 C ATOM 137 C PRO A 8 -8.736 4.459 -3.784 1.00 0.00 C ATOM 138 O PRO A 8 -9.638 4.785 -3.015 1.00 0.00 O ATOM 139 CB PRO A 8 -7.972 6.223 -5.471 1.00 0.00 C ATOM 140 CG PRO A 8 -7.092 5.532 -6.509 1.00 0.00 C ATOM 141 CD PRO A 8 -5.863 5.117 -5.707 1.00 0.00 C ATOM 0 HA PRO A 8 -7.652 6.178 -3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.028 6.148 -5.730 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.737 7.285 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.593 4.671 -6.952 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.831 6.204 -7.326 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.399 4.226 -6.131 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.107 5.902 -5.711 1.00 0.00 H new ATOM 149 N ASP A 9 -8.590 3.210 -4.233 1.00 0.00 N ATOM 150 CA ASP A 9 -9.477 2.085 -3.956 1.00 0.00 C ATOM 151 C ASP A 9 -9.636 1.777 -2.469 1.00 0.00 C ATOM 152 O ASP A 9 -10.554 1.056 -2.084 1.00 0.00 O ATOM 153 CB ASP A 9 -8.926 0.846 -4.674 1.00 0.00 C ATOM 154 CG ASP A 9 -8.972 0.990 -6.191 1.00 0.00 C ATOM 155 OD1 ASP A 9 -10.010 0.638 -6.785 1.00 0.00 O ATOM 156 OD2 ASP A 9 -7.981 1.502 -6.780 1.00 0.00 O ATOM 0 H ASP A 9 -7.807 2.946 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.468 2.359 -4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.897 0.673 -4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.502 -0.030 -4.376 1.00 0.00 H new ATOM 161 N ILE A 10 -8.804 2.337 -1.591 1.00 0.00 N ATOM 162 CA ILE A 10 -8.898 2.126 -0.146 1.00 0.00 C ATOM 163 C ILE A 10 -10.072 2.923 0.455 1.00 0.00 C ATOM 164 O ILE A 10 -10.274 2.919 1.663 1.00 0.00 O ATOM 165 CB ILE A 10 -7.521 2.379 0.509 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.569 1.355 -0.130 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.472 2.182 2.041 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.149 1.447 0.388 1.00 0.00 C ATOM 0 H ILE A 10 -8.040 2.955 -1.864 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.142 1.086 0.073 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.259 3.424 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.951 0.351 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.564 1.500 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.463 2.384 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.172 2.868 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.746 1.156 2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.532 0.696 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.749 2.439 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.142 1.272 1.464 1.00 0.00 H new ATOM 180 N SER A 11 -10.897 3.573 -0.364 1.00 0.00 N ATOM 181 CA SER A 11 -12.004 4.413 0.056 1.00 0.00 C ATOM 182 C SER A 11 -13.097 3.671 0.845 1.00 0.00 C ATOM 183 O SER A 11 -14.074 4.305 1.250 1.00 0.00 O ATOM 184 CB SER A 11 -12.585 5.097 -1.185 1.00 0.00 C ATOM 185 OG SER A 11 -13.057 6.394 -0.878 1.00 0.00 O ATOM 0 H SER A 11 -10.804 3.523 -1.379 1.00 0.00 H new ATOM 0 HA SER A 11 -11.612 5.148 0.759 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.822 5.159 -1.961 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.400 4.496 -1.587 1.00 0.00 H new ATOM 0 HG SER A 11 -13.421 6.810 -1.687 1.00 0.00 H new ATOM 191 N CYS A 12 -12.995 2.358 1.064 1.00 0.00 N ATOM 192 CA CYS A 12 -13.837 1.627 2.008 1.00 0.00 C ATOM 193 C CYS A 12 -12.956 0.964 3.070 1.00 0.00 C ATOM 194 O CYS A 12 -11.833 0.548 2.801 1.00 0.00 O ATOM 195 CB CYS A 12 -14.699 0.607 1.236 1.00 0.00 C ATOM 196 SG CYS A 12 -16.481 0.951 1.359 1.00 0.00 S ATOM 0 H CYS A 12 -12.316 1.767 0.584 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.515 2.306 2.526 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.405 0.611 0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -14.500 -0.394 1.619 1.00 0.00 H new ATOM 0 HG CYS A 12 -17.143 0.057 0.686 1.00 0.00 H new ATOM 202 N ASN A 13 -13.469 0.828 4.291 1.00 0.00 N ATOM 203 CA ASN A 13 -12.695 0.346 5.430 1.00 0.00 C ATOM 204 C ASN A 13 -12.222 -1.089 5.190 1.00 0.00 C ATOM 205 O ASN A 13 -11.062 -1.374 5.480 1.00 0.00 O ATOM 206 CB ASN A 13 -13.515 0.517 6.728 1.00 0.00 C ATOM 207 CG ASN A 13 -12.670 1.089 7.861 1.00 0.00 C ATOM 208 OD1 ASN A 13 -11.776 0.425 8.372 1.00 0.00 O ATOM 209 ND2 ASN A 13 -12.927 2.311 8.302 1.00 0.00 N ATOM 0 H ASN A 13 -14.438 1.051 4.518 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.791 0.943 5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.362 1.176 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.923 -0.448 7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.380 2.702 9.069 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.672 2.861 7.875 1.00 0.00 H new ATOM 216 N HIS A 14 -13.044 -1.967 4.590 1.00 0.00 N ATOM 217 CA HIS A 14 -12.622 -3.338 4.267 1.00 0.00 C ATOM 218 C HIS A 14 -11.465 -3.374 3.261 1.00 0.00 C ATOM 219 O HIS A 14 -10.679 -4.332 3.251 1.00 0.00 O ATOM 220 CB HIS A 14 -13.800 -4.185 3.748 1.00 0.00 C ATOM 221 CG HIS A 14 -13.922 -4.248 2.239 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.187 -5.074 1.431 1.00 0.00 N flip ATOM 223 CD2 HIS A 14 -14.653 -3.426 1.415 1.00 0.00 C flip ATOM 224 CE1 HIS A 14 -13.445 -4.742 0.104 1.00 0.00 C flip ATOM 225 NE2 HIS A 14 -14.342 -3.747 0.143 1.00 0.00 N flip ATOM 0 H HIS A 14 -14.003 -1.750 4.320 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.263 -3.772 5.200 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -13.697 -5.200 4.133 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.727 -3.782 4.157 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -15.349 -2.662 1.729 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.011 -5.193 -0.776 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.737 -3.293 -0.680 1.00 0.00 H new ATOM 233 N CYS A 15 -11.386 -2.363 2.386 1.00 0.00 N ATOM 234 CA CYS A 15 -10.376 -2.258 1.349 1.00 0.00 C ATOM 235 C CYS A 15 -9.003 -2.158 2.001 1.00 0.00 C ATOM 236 O CYS A 15 -8.041 -2.720 1.489 1.00 0.00 O ATOM 237 CB CYS A 15 -10.637 -1.042 0.464 1.00 0.00 C ATOM 238 SG CYS A 15 -12.312 -1.156 -0.217 1.00 0.00 S ATOM 0 H CYS A 15 -12.042 -1.582 2.388 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.415 -3.145 0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.528 -0.125 1.043 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.905 -0.999 -0.342 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.811 -2.326 0.051 1.00 0.00 H new ATOM 244 N LYS A 16 -8.917 -1.527 3.177 1.00 0.00 N ATOM 245 CA LYS A 16 -7.683 -1.411 3.934 1.00 0.00 C ATOM 246 C LYS A 16 -7.092 -2.796 4.193 1.00 0.00 C ATOM 247 O LYS A 16 -5.921 -3.018 3.885 1.00 0.00 O ATOM 248 CB LYS A 16 -7.947 -0.595 5.205 1.00 0.00 C ATOM 249 CG LYS A 16 -6.635 -0.128 5.833 1.00 0.00 C ATOM 250 CD LYS A 16 -6.671 0.603 7.182 1.00 0.00 C ATOM 251 CE LYS A 16 -6.766 2.120 7.258 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.433 2.604 8.613 1.00 0.00 N ATOM 0 H LYS A 16 -9.715 -1.080 3.628 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.927 -0.870 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.568 0.268 4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.503 -1.199 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.997 -1.004 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.144 0.530 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.520 0.203 7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.771 0.314 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.088 2.567 6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.774 2.439 6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.108 3.344 8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.486 1.814 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.470 2.996 8.615 1.00 0.00 H new ATOM 266 N MET A 17 -7.875 -3.749 4.704 1.00 0.00 N ATOM 267 CA MET A 17 -7.469 -5.116 4.912 1.00 0.00 C ATOM 268 C MET A 17 -7.070 -5.853 3.620 1.00 0.00 C ATOM 269 O MET A 17 -6.263 -6.779 3.697 1.00 0.00 O ATOM 270 CB MET A 17 -8.611 -5.756 5.683 1.00 0.00 C ATOM 271 CG MET A 17 -8.358 -7.210 5.973 1.00 0.00 C ATOM 272 SD MET A 17 -9.398 -7.924 7.271 1.00 0.00 S ATOM 273 CE MET A 17 -11.060 -7.635 6.610 1.00 0.00 C ATOM 0 H MET A 17 -8.838 -3.571 4.989 1.00 0.00 H new ATOM 0 HA MET A 17 -6.542 -5.174 5.482 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.758 -5.221 6.621 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.534 -5.657 5.111 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.507 -7.779 5.055 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.313 -7.332 6.258 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.801 -8.041 7.299 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.223 -6.564 6.491 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.157 -8.127 5.642 1.00 0.00 H new ATOM 283 N ARG A 18 -7.524 -5.424 2.430 1.00 0.00 N ATOM 284 CA ARG A 18 -7.059 -6.025 1.174 1.00 0.00 C ATOM 285 C ARG A 18 -5.562 -5.780 1.027 1.00 0.00 C ATOM 286 O ARG A 18 -4.869 -6.651 0.506 1.00 0.00 O ATOM 287 CB ARG A 18 -7.823 -5.532 -0.062 1.00 0.00 C ATOM 288 CG ARG A 18 -9.312 -5.843 0.128 1.00 0.00 C ATOM 289 CD ARG A 18 -10.196 -6.003 -1.108 1.00 0.00 C ATOM 290 NE ARG A 18 -9.527 -5.829 -2.416 1.00 0.00 N ATOM 291 CZ ARG A 18 -9.792 -6.532 -3.529 1.00 0.00 C ATOM 292 NH1 ARG A 18 -10.627 -7.562 -3.508 1.00 0.00 N ATOM 293 NH2 ARG A 18 -9.236 -6.211 -4.689 1.00 0.00 N ATOM 0 H ARG A 18 -8.204 -4.673 2.314 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.260 -7.095 1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.674 -4.461 -0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.446 -6.021 -0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.385 -6.764 0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.740 -5.048 0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.645 -6.996 -1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.011 -5.283 -1.042 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.802 -5.114 -2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.081 -7.833 -2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.815 -8.083 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.596 -5.419 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.449 -6.756 -5.525 1.00 0.00 H new ATOM 307 N ILE A 19 -5.076 -4.619 1.482 1.00 0.00 N ATOM 308 CA ILE A 19 -3.675 -4.278 1.487 1.00 0.00 C ATOM 309 C ILE A 19 -3.008 -5.067 2.599 1.00 0.00 C ATOM 310 O ILE A 19 -2.126 -5.847 2.273 1.00 0.00 O ATOM 311 CB ILE A 19 -3.485 -2.745 1.561 1.00 0.00 C ATOM 312 CG1 ILE A 19 -3.941 -2.120 0.234 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.028 -2.346 1.786 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.437 -1.867 0.153 1.00 0.00 C ATOM 0 H ILE A 19 -5.671 -3.883 1.863 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.184 -4.560 0.555 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.075 -2.388 2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.415 -1.177 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.649 -2.777 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.951 -1.260 1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.675 -2.773 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.417 -2.720 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.679 -1.425 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.972 -2.810 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.734 -1.184 0.949 1.00 0.00 H new ATOM 326 N SER A 20 -3.366 -4.901 3.879 1.00 0.00 N ATOM 327 CA SER A 20 -2.564 -5.468 4.950 1.00 0.00 C ATOM 328 C SER A 20 -2.383 -6.973 4.800 1.00 0.00 C ATOM 329 O SER A 20 -1.263 -7.458 4.931 1.00 0.00 O ATOM 330 CB SER A 20 -3.140 -5.150 6.323 1.00 0.00 C ATOM 331 OG SER A 20 -4.416 -4.537 6.328 1.00 0.00 O ATOM 0 H SER A 20 -4.192 -4.387 4.186 1.00 0.00 H new ATOM 0 HA SER A 20 -1.584 -4.998 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.200 -6.076 6.894 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.442 -4.497 6.847 1.00 0.00 H new ATOM 0 HG SER A 20 -4.698 -4.376 7.253 1.00 0.00 H new ATOM 337 N LYS A 21 -3.456 -7.703 4.479 1.00 0.00 N ATOM 338 CA LYS A 21 -3.372 -9.147 4.311 1.00 0.00 C ATOM 339 C LYS A 21 -2.386 -9.517 3.194 1.00 0.00 C ATOM 340 O LYS A 21 -1.628 -10.464 3.351 1.00 0.00 O ATOM 341 CB LYS A 21 -4.786 -9.721 4.107 1.00 0.00 C ATOM 342 CG LYS A 21 -4.796 -11.257 4.164 1.00 0.00 C ATOM 343 CD LYS A 21 -6.200 -11.855 4.376 1.00 0.00 C ATOM 344 CE LYS A 21 -7.066 -11.820 3.113 1.00 0.00 C ATOM 345 NZ LYS A 21 -6.778 -12.944 2.197 1.00 0.00 N ATOM 0 H LYS A 21 -4.387 -7.314 4.332 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.967 -9.605 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.452 -9.325 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.176 -9.391 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.379 -11.650 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.143 -11.587 4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.102 -12.887 4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.705 -11.307 5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.118 -11.848 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.902 -10.878 2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.390 -12.874 1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.781 -12.905 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.960 -13.844 2.684 1.00 0.00 H new ATOM 359 N ALA A 22 -2.339 -8.754 2.096 1.00 0.00 N ATOM 360 CA ALA A 22 -1.359 -8.954 1.032 1.00 0.00 C ATOM 361 C ALA A 22 0.051 -8.516 1.450 1.00 0.00 C ATOM 362 O ALA A 22 1.042 -9.094 1.004 1.00 0.00 O ATOM 363 CB ALA A 22 -1.787 -8.164 -0.211 1.00 0.00 C ATOM 0 H ALA A 22 -2.982 -7.981 1.924 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.323 -10.022 0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.056 -8.312 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.764 -8.514 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.846 -7.104 0.034 1.00 0.00 H new ATOM 369 N LEU A 23 0.165 -7.468 2.267 1.00 0.00 N ATOM 370 CA LEU A 23 1.438 -6.906 2.695 1.00 0.00 C ATOM 371 C LEU A 23 2.175 -7.856 3.632 1.00 0.00 C ATOM 372 O LEU A 23 3.384 -8.037 3.500 1.00 0.00 O ATOM 373 CB LEU A 23 1.237 -5.572 3.421 1.00 0.00 C ATOM 374 CG LEU A 23 0.876 -4.339 2.589 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.833 -3.125 3.524 1.00 0.00 C ATOM 376 CD2 LEU A 23 1.890 -4.078 1.475 1.00 0.00 C ATOM 0 H LEU A 23 -0.642 -6.980 2.655 1.00 0.00 H new ATOM 0 HA LEU A 23 2.030 -6.749 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.452 -5.713 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.154 -5.348 3.965 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.091 -4.513 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.577 -2.234 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.082 -3.288 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.809 -2.989 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.592 -3.194 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.876 -3.916 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.926 -4.939 0.807 1.00 0.00 H new ATOM 388 N GLU A 24 1.468 -8.447 4.590 1.00 0.00 N ATOM 389 CA GLU A 24 2.045 -9.409 5.521 1.00 0.00 C ATOM 390 C GLU A 24 2.674 -10.574 4.752 1.00 0.00 C ATOM 391 O GLU A 24 3.732 -11.077 5.121 1.00 0.00 O ATOM 392 CB GLU A 24 0.951 -9.924 6.467 1.00 0.00 C ATOM 393 CG GLU A 24 0.383 -8.815 7.365 1.00 0.00 C ATOM 394 CD GLU A 24 0.628 -9.093 8.842 1.00 0.00 C ATOM 395 OE1 GLU A 24 1.771 -8.884 9.305 1.00 0.00 O ATOM 396 OE2 GLU A 24 -0.366 -9.338 9.571 1.00 0.00 O ATOM 0 H GLU A 24 0.475 -8.271 4.743 1.00 0.00 H new ATOM 0 HA GLU A 24 2.824 -8.922 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.143 -10.362 5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.359 -10.719 7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.838 -7.862 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.688 -8.718 7.187 1.00 0.00 H new ATOM 403 N GLU A 25 2.031 -11.016 3.667 1.00 0.00 N ATOM 404 CA GLU A 25 2.529 -12.074 2.803 1.00 0.00 C ATOM 405 C GLU A 25 3.768 -11.587 2.055 1.00 0.00 C ATOM 406 O GLU A 25 4.786 -12.278 2.058 1.00 0.00 O ATOM 407 CB GLU A 25 1.434 -12.493 1.811 1.00 0.00 C ATOM 408 CG GLU A 25 0.177 -13.085 2.461 1.00 0.00 C ATOM 409 CD GLU A 25 0.389 -14.530 2.898 1.00 0.00 C ATOM 410 OE1 GLU A 25 0.168 -15.446 2.072 1.00 0.00 O ATOM 411 OE2 GLU A 25 0.820 -14.757 4.049 1.00 0.00 O ATOM 0 H GLU A 25 1.134 -10.637 3.365 1.00 0.00 H new ATOM 0 HA GLU A 25 2.802 -12.939 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.146 -11.624 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.849 -13.226 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.103 -12.482 3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.653 -13.037 1.756 1.00 0.00 H new ATOM 418 N LEU A 26 3.718 -10.369 1.499 1.00 0.00 N ATOM 419 CA LEU A 26 4.801 -9.699 0.806 1.00 0.00 C ATOM 420 C LEU A 26 6.037 -9.529 1.701 1.00 0.00 C ATOM 421 O LEU A 26 7.142 -9.322 1.204 1.00 0.00 O ATOM 422 CB LEU A 26 4.234 -8.347 0.333 1.00 0.00 C ATOM 423 CG LEU A 26 5.237 -7.387 -0.299 1.00 0.00 C ATOM 424 CD1 LEU A 26 5.870 -7.921 -1.584 1.00 0.00 C ATOM 425 CD2 LEU A 26 4.550 -6.057 -0.618 1.00 0.00 C ATOM 0 H LEU A 26 2.870 -9.803 1.528 1.00 0.00 H new ATOM 0 HA LEU A 26 5.149 -10.290 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.441 -8.541 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.773 -7.850 1.187 1.00 0.00 H new ATOM 0 HG LEU A 26 6.035 -7.261 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.572 -7.185 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.399 -8.850 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.091 -8.109 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.270 -5.374 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.729 -6.229 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.161 -5.619 0.301 1.00 0.00 H new ATOM 437 N GLY A 27 5.873 -9.619 3.021 1.00 0.00 N ATOM 438 CA GLY A 27 6.958 -9.482 3.971 1.00 0.00 C ATOM 439 C GLY A 27 7.434 -8.036 4.026 1.00 0.00 C ATOM 440 O GLY A 27 8.640 -7.778 4.010 1.00 0.00 O ATOM 0 H GLY A 27 4.968 -9.792 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.627 -9.801 4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.784 -10.133 3.686 1.00 0.00 H new ATOM 444 N VAL A 28 6.494 -7.087 4.059 1.00 0.00 N ATOM 445 CA VAL A 28 6.728 -5.797 4.696 1.00 0.00 C ATOM 446 C VAL A 28 6.958 -6.048 6.195 1.00 0.00 C ATOM 447 O VAL A 28 6.588 -7.109 6.703 1.00 0.00 O ATOM 448 CB VAL A 28 5.509 -4.884 4.440 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.304 -5.252 5.304 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.805 -3.402 4.664 1.00 0.00 C ATOM 0 H VAL A 28 5.565 -7.192 3.651 1.00 0.00 H new ATOM 0 HA VAL A 28 7.606 -5.296 4.288 1.00 0.00 H new ATOM 0 HB VAL A 28 5.276 -5.049 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.477 -4.577 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.003 -6.278 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.571 -5.164 6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.906 -2.818 4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.120 -3.246 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.600 -3.084 3.990 1.00 0.00 H new ATOM 460 N LYS A 29 7.471 -5.056 6.928 1.00 0.00 N ATOM 461 CA LYS A 29 7.346 -5.056 8.389 1.00 0.00 C ATOM 462 C LYS A 29 6.979 -3.706 8.991 1.00 0.00 C ATOM 463 O LYS A 29 6.758 -3.626 10.201 1.00 0.00 O ATOM 464 CB LYS A 29 8.635 -5.635 9.002 1.00 0.00 C ATOM 465 CG LYS A 29 8.343 -6.978 9.677 1.00 0.00 C ATOM 466 CD LYS A 29 9.594 -7.842 9.796 1.00 0.00 C ATOM 467 CE LYS A 29 9.943 -8.492 8.454 1.00 0.00 C ATOM 468 NZ LYS A 29 11.056 -9.447 8.599 1.00 0.00 N ATOM 0 H LYS A 29 7.969 -4.254 6.542 1.00 0.00 H new ATOM 0 HA LYS A 29 6.498 -5.692 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.388 -5.766 8.225 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.046 -4.936 9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.928 -6.802 10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.585 -7.514 9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.430 -7.232 10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.436 -8.615 10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.068 -9.007 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.213 -7.721 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.271 -9.872 7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.897 -8.949 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.787 -10.195 9.270 1.00 0.00 H new ATOM 482 N ASN A 30 6.867 -2.648 8.188 1.00 0.00 N ATOM 483 CA ASN A 30 6.406 -1.349 8.652 1.00 0.00 C ATOM 484 C ASN A 30 5.515 -0.803 7.555 1.00 0.00 C ATOM 485 O ASN A 30 5.953 -0.684 6.413 1.00 0.00 O ATOM 486 CB ASN A 30 7.580 -0.408 8.964 1.00 0.00 C ATOM 487 CG ASN A 30 7.810 -0.303 10.454 1.00 0.00 C ATOM 488 OD1 ASN A 30 8.779 -0.838 10.985 1.00 0.00 O ATOM 489 ND2 ASN A 30 6.933 0.384 11.158 1.00 0.00 N ATOM 0 H ASN A 30 7.096 -2.673 7.194 1.00 0.00 H new ATOM 0 HA ASN A 30 5.856 -1.438 9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.484 -0.775 8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.377 0.581 8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.052 0.480 12.167 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.136 0.820 10.694 1.00 0.00 H new ATOM 496 N TYR A 31 4.251 -0.556 7.863 1.00 0.00 N ATOM 497 CA TYR A 31 3.279 0.005 6.949 1.00 0.00 C ATOM 498 C TYR A 31 2.268 0.840 7.709 1.00 0.00 C ATOM 499 O TYR A 31 2.137 0.748 8.932 1.00 0.00 O ATOM 500 CB TYR A 31 2.676 -1.120 6.107 1.00 0.00 C ATOM 501 CG TYR A 31 1.695 -2.029 6.811 1.00 0.00 C ATOM 502 CD1 TYR A 31 0.367 -1.607 6.981 1.00 0.00 C ATOM 503 CD2 TYR A 31 2.094 -3.291 7.283 1.00 0.00 C ATOM 504 CE1 TYR A 31 -0.552 -2.428 7.643 1.00 0.00 C ATOM 505 CE2 TYR A 31 1.189 -4.122 7.957 1.00 0.00 C ATOM 506 CZ TYR A 31 -0.142 -3.680 8.160 1.00 0.00 C ATOM 507 OH TYR A 31 -1.053 -4.412 8.859 1.00 0.00 O ATOM 0 H TYR A 31 3.865 -0.748 8.787 1.00 0.00 H new ATOM 0 HA TYR A 31 3.749 0.695 6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.174 -0.674 5.248 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.491 -1.731 5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.054 -0.646 6.600 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.109 -3.624 7.125 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.576 -2.106 7.760 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.503 -5.090 8.318 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.641 -5.250 9.156 1.00 0.00 H new ATOM 517 N GLU A 32 1.567 1.681 6.960 1.00 0.00 N ATOM 518 CA GLU A 32 0.697 2.705 7.506 1.00 0.00 C ATOM 519 C GLU A 32 -0.383 3.058 6.486 1.00 0.00 C ATOM 520 O GLU A 32 -0.202 3.936 5.641 1.00 0.00 O ATOM 521 CB GLU A 32 1.547 3.916 7.929 1.00 0.00 C ATOM 522 CG GLU A 32 0.930 4.653 9.111 1.00 0.00 C ATOM 523 CD GLU A 32 1.701 5.947 9.362 1.00 0.00 C ATOM 524 OE1 GLU A 32 2.944 5.883 9.508 1.00 0.00 O ATOM 525 OE2 GLU A 32 1.056 7.020 9.368 1.00 0.00 O ATOM 0 H GLU A 32 1.590 1.668 5.940 1.00 0.00 H new ATOM 0 HA GLU A 32 0.182 2.344 8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.551 3.582 8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.650 4.600 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.118 4.875 8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.956 4.023 10.000 1.00 0.00 H new ATOM 532 N VAL A 33 -1.505 2.349 6.529 1.00 0.00 N ATOM 533 CA VAL A 33 -2.653 2.597 5.681 1.00 0.00 C ATOM 534 C VAL A 33 -3.671 3.480 6.376 1.00 0.00 C ATOM 535 O VAL A 33 -3.907 3.351 7.573 1.00 0.00 O ATOM 536 CB VAL A 33 -3.191 1.317 5.023 1.00 0.00 C ATOM 537 CG1 VAL A 33 -3.242 0.143 5.996 1.00 0.00 C ATOM 538 CG2 VAL A 33 -4.340 1.609 4.057 1.00 0.00 C ATOM 0 H VAL A 33 -1.640 1.568 7.172 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.333 3.186 4.822 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.479 0.900 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.629 -0.738 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.239 -0.065 6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.895 0.392 6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.690 0.676 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.159 2.083 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.992 2.276 3.269 1.00 0.00 H new ATOM 548 N SER A 34 -4.325 4.333 5.596 1.00 0.00 N ATOM 549 CA SER A 34 -5.235 5.375 6.006 1.00 0.00 C ATOM 550 C SER A 34 -6.376 5.383 4.987 1.00 0.00 C ATOM 551 O SER A 34 -6.126 5.443 3.784 1.00 0.00 O ATOM 552 CB SER A 34 -4.402 6.653 6.035 1.00 0.00 C ATOM 553 OG SER A 34 -5.079 7.737 6.626 1.00 0.00 O ATOM 0 H SER A 34 -4.218 4.304 4.582 1.00 0.00 H new ATOM 0 HA SER A 34 -5.689 5.248 6.989 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.479 6.466 6.583 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.120 6.920 5.016 1.00 0.00 H new ATOM 0 HG SER A 34 -4.500 8.527 6.620 1.00 0.00 H new ATOM 559 N VAL A 35 -7.611 5.199 5.457 1.00 0.00 N ATOM 560 CA VAL A 35 -8.810 5.017 4.630 1.00 0.00 C ATOM 561 C VAL A 35 -9.443 6.354 4.261 1.00 0.00 C ATOM 562 O VAL A 35 -9.939 6.503 3.139 1.00 0.00 O ATOM 563 CB VAL A 35 -9.772 4.058 5.367 1.00 0.00 C ATOM 564 CG1 VAL A 35 -11.220 4.025 4.842 1.00 0.00 C ATOM 565 CG2 VAL A 35 -9.227 2.620 5.268 1.00 0.00 C ATOM 0 H VAL A 35 -7.813 5.171 6.456 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.546 4.562 3.675 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.814 4.444 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.805 3.319 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.660 5.019 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.221 3.713 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.902 1.939 5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.153 2.330 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.240 2.573 5.728 1.00 0.00 H new ATOM 575 N GLU A 36 -9.389 7.331 5.167 1.00 0.00 N ATOM 576 CA GLU A 36 -9.794 8.682 4.827 1.00 0.00 C ATOM 577 C GLU A 36 -8.833 9.202 3.758 1.00 0.00 C ATOM 578 O GLU A 36 -9.272 9.640 2.691 1.00 0.00 O ATOM 579 CB GLU A 36 -9.885 9.563 6.085 1.00 0.00 C ATOM 580 CG GLU A 36 -11.035 9.093 6.988 1.00 0.00 C ATOM 581 CD GLU A 36 -11.197 9.920 8.265 1.00 0.00 C ATOM 582 OE1 GLU A 36 -11.292 11.169 8.195 1.00 0.00 O ATOM 583 OE2 GLU A 36 -11.279 9.320 9.356 1.00 0.00 O ATOM 0 H GLU A 36 -9.072 7.208 6.129 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.800 8.704 4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.944 9.522 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.042 10.603 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.966 9.129 6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.868 8.051 7.260 1.00 0.00 H new ATOM 590 N GLU A 37 -7.524 9.052 3.989 1.00 0.00 N ATOM 591 CA GLU A 37 -6.520 9.579 3.073 1.00 0.00 C ATOM 592 C GLU A 37 -6.348 8.709 1.818 1.00 0.00 C ATOM 593 O GLU A 37 -5.694 9.153 0.874 1.00 0.00 O ATOM 594 CB GLU A 37 -5.169 9.696 3.800 1.00 0.00 C ATOM 595 CG GLU A 37 -5.071 10.890 4.760 1.00 0.00 C ATOM 596 CD GLU A 37 -4.192 11.982 4.149 1.00 0.00 C ATOM 597 OE1 GLU A 37 -4.483 12.435 3.015 1.00 0.00 O ATOM 598 OE2 GLU A 37 -3.138 12.315 4.745 1.00 0.00 O ATOM 0 H GLU A 37 -7.141 8.570 4.802 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.867 10.559 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.990 8.778 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.375 9.776 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.066 11.285 4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.654 10.567 5.714 1.00 0.00 H new ATOM 605 N LYS A 38 -6.907 7.491 1.790 1.00 0.00 N ATOM 606 CA LYS A 38 -6.699 6.462 0.761 1.00 0.00 C ATOM 607 C LYS A 38 -5.213 6.271 0.431 1.00 0.00 C ATOM 608 O LYS A 38 -4.812 6.251 -0.736 1.00 0.00 O ATOM 609 CB LYS A 38 -7.503 6.794 -0.500 1.00 0.00 C ATOM 610 CG LYS A 38 -9.011 6.987 -0.301 1.00 0.00 C ATOM 611 CD LYS A 38 -9.577 7.782 -1.480 1.00 0.00 C ATOM 612 CE LYS A 38 -9.259 9.273 -1.305 1.00 0.00 C ATOM 613 NZ LYS A 38 -9.508 10.054 -2.530 1.00 0.00 N ATOM 0 H LYS A 38 -7.548 7.181 2.520 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.060 5.516 1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.095 7.704 -0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.351 5.995 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.507 6.019 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.202 7.514 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.150 7.417 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.655 7.636 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.863 9.676 -0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.215 9.386 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.826 11.010 -2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.631 10.118 -3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.243 9.585 -3.097 1.00 0.00 H new ATOM 627 N LYS A 39 -4.367 6.157 1.453 1.00 0.00 N ATOM 628 CA LYS A 39 -2.922 6.066 1.270 1.00 0.00 C ATOM 629 C LYS A 39 -2.363 4.905 2.060 1.00 0.00 C ATOM 630 O LYS A 39 -2.957 4.480 3.049 1.00 0.00 O ATOM 631 CB LYS A 39 -2.247 7.415 1.592 1.00 0.00 C ATOM 632 CG LYS A 39 -1.760 8.045 0.282 1.00 0.00 C ATOM 633 CD LYS A 39 -1.579 9.559 0.271 1.00 0.00 C ATOM 634 CE LYS A 39 -2.951 10.243 0.192 1.00 0.00 C ATOM 635 NZ LYS A 39 -2.934 11.513 -0.564 1.00 0.00 N ATOM 0 H LYS A 39 -4.664 6.125 2.428 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.699 5.860 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.951 8.080 2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.410 7.266 2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.806 7.587 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.467 7.782 -0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.054 9.879 1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.965 9.855 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.662 9.561 -0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.311 10.436 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.890 11.921 -0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.280 12.180 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.620 11.333 -1.539 1.00 0.00 H new ATOM 649 N VAL A 40 -1.236 4.389 1.584 1.00 0.00 N ATOM 650 CA VAL A 40 -0.525 3.213 2.051 1.00 0.00 C ATOM 651 C VAL A 40 0.912 3.670 2.132 1.00 0.00 C ATOM 652 O VAL A 40 1.545 3.835 1.093 1.00 0.00 O ATOM 653 CB VAL A 40 -0.681 2.063 1.025 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.186 0.817 1.267 1.00 0.00 C ATOM 655 CG2 VAL A 40 -2.124 1.587 0.982 1.00 0.00 C ATOM 0 H VAL A 40 -0.758 4.823 0.794 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.895 2.834 3.004 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.345 2.513 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.009 0.081 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.239 1.097 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.057 0.388 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.219 0.779 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.418 1.226 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.771 2.414 0.690 1.00 0.00 H new ATOM 665 N VAL A 41 1.443 3.871 3.332 1.00 0.00 N ATOM 666 CA VAL A 41 2.891 3.805 3.464 1.00 0.00 C ATOM 667 C VAL A 41 3.239 2.325 3.565 1.00 0.00 C ATOM 668 O VAL A 41 2.513 1.568 4.218 1.00 0.00 O ATOM 669 CB VAL A 41 3.414 4.636 4.646 1.00 0.00 C ATOM 670 CG1 VAL A 41 4.945 4.644 4.645 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.940 6.091 4.523 1.00 0.00 C ATOM 0 H VAL A 41 0.924 4.071 4.187 1.00 0.00 H new ATOM 0 HA VAL A 41 3.385 4.251 2.601 1.00 0.00 H new ATOM 0 HB VAL A 41 3.034 4.190 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.306 5.235 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.314 3.622 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.306 5.080 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.317 6.669 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.315 6.519 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.850 6.120 4.522 1.00 0.00 H new ATOM 681 N VAL A 42 4.332 1.910 2.940 1.00 0.00 N ATOM 682 CA VAL A 42 5.049 0.684 3.257 1.00 0.00 C ATOM 683 C VAL A 42 6.522 1.033 3.346 1.00 0.00 C ATOM 684 O VAL A 42 6.964 1.957 2.664 1.00 0.00 O ATOM 685 CB VAL A 42 4.844 -0.392 2.187 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.450 -1.016 2.265 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.079 0.122 0.762 1.00 0.00 C ATOM 0 H VAL A 42 4.757 2.434 2.175 1.00 0.00 H new ATOM 0 HA VAL A 42 4.672 0.279 4.196 1.00 0.00 H new ATOM 0 HB VAL A 42 5.596 -1.151 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.347 -1.774 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.312 -1.477 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.696 -0.242 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.918 -0.689 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.384 0.935 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.102 0.486 0.671 1.00 0.00 H new ATOM 697 N GLU A 43 7.255 0.266 4.136 1.00 0.00 N ATOM 698 CA GLU A 43 8.655 0.454 4.451 1.00 0.00 C ATOM 699 C GLU A 43 9.347 -0.844 4.048 1.00 0.00 C ATOM 700 O GLU A 43 9.134 -1.888 4.670 1.00 0.00 O ATOM 701 CB GLU A 43 8.716 0.782 5.943 1.00 0.00 C ATOM 702 CG GLU A 43 9.991 1.436 6.488 1.00 0.00 C ATOM 703 CD GLU A 43 9.718 2.024 7.883 1.00 0.00 C ATOM 704 OE1 GLU A 43 8.748 2.802 8.047 1.00 0.00 O ATOM 705 OE2 GLU A 43 10.463 1.718 8.841 1.00 0.00 O ATOM 0 H GLU A 43 6.862 -0.552 4.601 1.00 0.00 H new ATOM 0 HA GLU A 43 9.158 1.267 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.879 1.441 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.555 -0.144 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.793 0.700 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.326 2.222 5.811 1.00 0.00 H new ATOM 712 N THR A 44 10.069 -0.814 2.928 1.00 0.00 N ATOM 713 CA THR A 44 10.783 -1.953 2.376 1.00 0.00 C ATOM 714 C THR A 44 12.009 -1.428 1.620 1.00 0.00 C ATOM 715 O THR A 44 12.070 -0.261 1.218 1.00 0.00 O ATOM 716 CB THR A 44 9.822 -2.778 1.486 1.00 0.00 C ATOM 717 OG1 THR A 44 10.453 -3.898 0.880 1.00 0.00 O ATOM 718 CG2 THR A 44 9.200 -1.956 0.353 1.00 0.00 C ATOM 0 H THR A 44 10.173 0.031 2.367 1.00 0.00 H new ATOM 0 HA THR A 44 11.137 -2.626 3.157 1.00 0.00 H new ATOM 0 HB THR A 44 9.049 -3.108 2.180 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.802 -4.383 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.537 -2.590 -0.235 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.631 -1.128 0.775 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.990 -1.564 -0.288 1.00 0.00 H new ATOM 726 N GLU A 45 12.971 -2.313 1.374 1.00 0.00 N ATOM 727 CA GLU A 45 14.094 -2.058 0.489 1.00 0.00 C ATOM 728 C GLU A 45 13.639 -1.963 -0.978 1.00 0.00 C ATOM 729 O GLU A 45 14.330 -1.330 -1.770 1.00 0.00 O ATOM 730 CB GLU A 45 15.143 -3.180 0.650 1.00 0.00 C ATOM 731 CG GLU A 45 16.578 -2.636 0.780 1.00 0.00 C ATOM 732 CD GLU A 45 16.910 -2.007 2.143 1.00 0.00 C ATOM 733 OE1 GLU A 45 16.133 -2.171 3.111 1.00 0.00 O ATOM 734 OE2 GLU A 45 18.013 -1.428 2.284 1.00 0.00 O ATOM 0 H GLU A 45 12.988 -3.243 1.793 1.00 0.00 H new ATOM 0 HA GLU A 45 14.538 -1.101 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.902 -3.773 1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.089 -3.849 -0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.278 -3.450 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.740 -1.890 0.002 1.00 0.00 H new ATOM 741 N ASN A 46 12.521 -2.602 -1.366 1.00 0.00 N ATOM 742 CA ASN A 46 12.252 -2.914 -2.776 1.00 0.00 C ATOM 743 C ASN A 46 10.832 -2.534 -3.186 1.00 0.00 C ATOM 744 O ASN A 46 9.922 -3.365 -3.139 1.00 0.00 O ATOM 745 CB ASN A 46 12.559 -4.400 -3.063 1.00 0.00 C ATOM 746 CG ASN A 46 13.273 -4.560 -4.390 1.00 0.00 C ATOM 747 OD1 ASN A 46 14.397 -5.048 -4.431 1.00 0.00 O ATOM 748 ND2 ASN A 46 12.680 -4.143 -5.491 1.00 0.00 N ATOM 0 H ASN A 46 11.792 -2.911 -0.722 1.00 0.00 H new ATOM 0 HA ASN A 46 12.918 -2.306 -3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.176 -4.809 -2.263 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.631 -4.971 -3.074 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.156 -4.225 -6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.745 -3.739 -5.445 1.00 0.00 H new ATOM 755 N LEU A 47 10.635 -1.284 -3.614 1.00 0.00 N ATOM 756 CA LEU A 47 9.313 -0.774 -3.981 1.00 0.00 C ATOM 757 C LEU A 47 8.667 -1.587 -5.106 1.00 0.00 C ATOM 758 O LEU A 47 7.469 -1.832 -5.038 1.00 0.00 O ATOM 759 CB LEU A 47 9.389 0.714 -4.357 1.00 0.00 C ATOM 760 CG LEU A 47 8.045 1.285 -4.861 1.00 0.00 C ATOM 761 CD1 LEU A 47 6.959 1.266 -3.780 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.188 2.715 -5.369 1.00 0.00 C ATOM 0 H LEU A 47 11.385 -0.600 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 47 8.674 -0.881 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.716 1.285 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.146 0.848 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 47 7.745 0.632 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.035 1.678 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.787 0.240 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.281 1.867 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.219 3.077 -5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.548 3.353 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.899 2.738 -6.195 1.00 0.00 H new ATOM 774 N ASP A 48 9.418 -2.020 -6.121 1.00 0.00 N ATOM 775 CA ASP A 48 8.863 -2.736 -7.278 1.00 0.00 C ATOM 776 C ASP A 48 8.007 -3.940 -6.864 1.00 0.00 C ATOM 777 O ASP A 48 6.909 -4.127 -7.391 1.00 0.00 O ATOM 778 CB ASP A 48 9.993 -3.168 -8.217 1.00 0.00 C ATOM 779 CG ASP A 48 9.481 -4.178 -9.243 1.00 0.00 C ATOM 780 OD1 ASP A 48 8.817 -3.786 -10.219 1.00 0.00 O ATOM 781 OD2 ASP A 48 9.713 -5.393 -9.032 1.00 0.00 O ATOM 0 H ASP A 48 10.428 -1.886 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 48 8.201 -2.048 -7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.402 -2.297 -8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.806 -3.608 -7.639 1.00 0.00 H new ATOM 786 N SER A 49 8.469 -4.711 -5.871 1.00 0.00 N ATOM 787 CA SER A 49 7.733 -5.853 -5.342 1.00 0.00 C ATOM 788 C SER A 49 6.362 -5.400 -4.811 1.00 0.00 C ATOM 789 O SER A 49 5.346 -6.048 -5.054 1.00 0.00 O ATOM 790 CB SER A 49 8.582 -6.577 -4.287 1.00 0.00 C ATOM 791 OG SER A 49 8.105 -7.902 -4.091 1.00 0.00 O ATOM 0 H SER A 49 9.368 -4.555 -5.414 1.00 0.00 H new ATOM 0 HA SER A 49 7.535 -6.573 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.624 -6.602 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.549 -6.029 -3.346 1.00 0.00 H new ATOM 0 HG SER A 49 8.657 -8.352 -3.417 1.00 0.00 H new ATOM 797 N VAL A 50 6.312 -4.256 -4.124 1.00 0.00 N ATOM 798 CA VAL A 50 5.082 -3.663 -3.622 1.00 0.00 C ATOM 799 C VAL A 50 4.168 -3.281 -4.784 1.00 0.00 C ATOM 800 O VAL A 50 2.998 -3.644 -4.743 1.00 0.00 O ATOM 801 CB VAL A 50 5.360 -2.411 -2.771 1.00 0.00 C ATOM 802 CG1 VAL A 50 4.086 -1.946 -2.061 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.493 -2.562 -1.746 1.00 0.00 C ATOM 0 H VAL A 50 7.144 -3.710 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 50 4.596 -4.409 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 50 5.699 -1.661 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.304 -1.060 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.323 -1.706 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.722 -2.741 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.613 -1.629 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.249 -3.365 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.422 -2.800 -2.263 1.00 0.00 H new ATOM 813 N LEU A 51 4.654 -2.514 -5.769 1.00 0.00 N ATOM 814 CA LEU A 51 3.798 -1.945 -6.816 1.00 0.00 C ATOM 815 C LEU A 51 3.095 -3.067 -7.569 1.00 0.00 C ATOM 816 O LEU A 51 1.883 -3.025 -7.748 1.00 0.00 O ATOM 817 CB LEU A 51 4.592 -1.051 -7.788 1.00 0.00 C ATOM 818 CG LEU A 51 5.167 0.229 -7.150 1.00 0.00 C ATOM 819 CD1 LEU A 51 6.005 1.016 -8.166 1.00 0.00 C ATOM 820 CD2 LEU A 51 4.091 1.154 -6.569 1.00 0.00 C ATOM 0 H LEU A 51 5.641 -2.273 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 51 3.054 -1.310 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.412 -1.632 -8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.942 -0.769 -8.616 1.00 0.00 H new ATOM 0 HG LEU A 51 5.793 -0.110 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.400 1.915 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.831 0.396 -8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.380 1.297 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.564 2.035 -6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.409 1.461 -7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.534 0.624 -5.796 1.00 0.00 H new ATOM 832 N LYS A 52 3.833 -4.123 -7.906 1.00 0.00 N ATOM 833 CA LYS A 52 3.276 -5.314 -8.530 1.00 0.00 C ATOM 834 C LYS A 52 2.215 -5.906 -7.624 1.00 0.00 C ATOM 835 O LYS A 52 1.105 -6.165 -8.078 1.00 0.00 O ATOM 836 CB LYS A 52 4.386 -6.337 -8.823 1.00 0.00 C ATOM 837 CG LYS A 52 4.821 -6.301 -10.288 1.00 0.00 C ATOM 838 CD LYS A 52 5.479 -4.995 -10.743 1.00 0.00 C ATOM 839 CE LYS A 52 5.474 -4.895 -12.272 1.00 0.00 C ATOM 840 NZ LYS A 52 6.169 -6.013 -12.935 1.00 0.00 N ATOM 0 H LYS A 52 4.840 -4.173 -7.751 1.00 0.00 H new ATOM 0 HA LYS A 52 2.816 -5.044 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.245 -6.134 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.033 -7.338 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.518 -7.120 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.948 -6.486 -10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.947 -4.145 -10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.503 -4.949 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.443 -4.859 -12.623 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.944 -3.958 -12.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.233 -5.826 -13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.126 -6.110 -12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.639 -6.894 -12.777 1.00 0.00 H new ATOM 854 N LYS A 53 2.533 -6.101 -6.345 1.00 0.00 N ATOM 855 CA LYS A 53 1.622 -6.722 -5.400 1.00 0.00 C ATOM 856 C LYS A 53 0.360 -5.879 -5.169 1.00 0.00 C ATOM 857 O LYS A 53 -0.672 -6.453 -4.830 1.00 0.00 O ATOM 858 CB LYS A 53 2.413 -7.015 -4.117 1.00 0.00 C ATOM 859 CG LYS A 53 1.706 -7.935 -3.115 1.00 0.00 C ATOM 860 CD LYS A 53 1.590 -9.367 -3.634 1.00 0.00 C ATOM 861 CE LYS A 53 1.068 -10.264 -2.507 1.00 0.00 C ATOM 862 NZ LYS A 53 -0.138 -11.010 -2.904 1.00 0.00 N ATOM 0 H LYS A 53 3.430 -5.831 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 53 1.239 -7.661 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.367 -7.466 -4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.638 -6.070 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.255 -7.934 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.710 -7.544 -2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.915 -9.404 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.561 -9.722 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.848 -10.967 -2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.844 -9.653 -1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.456 -11.603 -2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.892 -10.341 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.081 -11.614 -3.722 1.00 0.00 H new ATOM 876 N LEU A 54 0.388 -4.549 -5.319 1.00 0.00 N ATOM 877 CA LEU A 54 -0.813 -3.714 -5.322 1.00 0.00 C ATOM 878 C LEU A 54 -1.661 -3.979 -6.562 1.00 0.00 C ATOM 879 O LEU A 54 -2.875 -4.168 -6.468 1.00 0.00 O ATOM 880 CB LEU A 54 -0.375 -2.251 -5.293 1.00 0.00 C ATOM 881 CG LEU A 54 -0.298 -1.655 -3.891 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.686 -1.260 -3.368 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.357 -2.504 -2.806 1.00 0.00 C ATOM 0 H LEU A 54 1.252 -4.021 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.422 -3.949 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.603 -2.165 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.071 -1.662 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 54 0.355 -0.798 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.591 -0.839 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.128 -0.518 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.326 -2.142 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.344 -1.960 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.192 -3.439 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.388 -2.720 -3.086 1.00 0.00 H new ATOM 895 N GLU A 55 -1.028 -3.999 -7.729 1.00 0.00 N ATOM 896 CA GLU A 55 -1.712 -4.212 -8.995 1.00 0.00 C ATOM 897 C GLU A 55 -2.373 -5.603 -9.001 1.00 0.00 C ATOM 898 O GLU A 55 -3.483 -5.770 -9.510 1.00 0.00 O ATOM 899 CB GLU A 55 -0.703 -4.090 -10.138 1.00 0.00 C ATOM 900 CG GLU A 55 -0.121 -2.677 -10.268 1.00 0.00 C ATOM 901 CD GLU A 55 1.189 -2.622 -11.073 1.00 0.00 C ATOM 902 OE1 GLU A 55 1.509 -3.566 -11.830 1.00 0.00 O ATOM 903 OE2 GLU A 55 1.899 -1.596 -10.931 1.00 0.00 O ATOM 0 H GLU A 55 -0.021 -3.867 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.490 -3.460 -9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.109 -4.799 -9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.187 -4.366 -11.075 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.858 -2.032 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.058 -2.274 -9.271 1.00 0.00 H new ATOM 910 N GLU A 56 -1.716 -6.592 -8.385 1.00 0.00 N ATOM 911 CA GLU A 56 -2.147 -7.975 -8.201 1.00 0.00 C ATOM 912 C GLU A 56 -3.230 -8.115 -7.112 1.00 0.00 C ATOM 913 O GLU A 56 -3.701 -9.221 -6.835 1.00 0.00 O ATOM 914 CB GLU A 56 -0.894 -8.818 -7.881 1.00 0.00 C ATOM 915 CG GLU A 56 -0.863 -10.221 -8.495 1.00 0.00 C ATOM 916 CD GLU A 56 -1.801 -11.246 -7.859 1.00 0.00 C ATOM 917 OE1 GLU A 56 -1.632 -11.605 -6.664 1.00 0.00 O ATOM 918 OE2 GLU A 56 -2.679 -11.798 -8.560 1.00 0.00 O ATOM 0 H GLU A 56 -0.798 -6.429 -7.971 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.617 -8.335 -9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.014 -8.272 -8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.809 -8.913 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.109 -10.139 -9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.156 -10.602 -8.433 1.00 0.00 H new ATOM 925 N ILE A 57 -3.657 -7.025 -6.468 1.00 0.00 N ATOM 926 CA ILE A 57 -4.903 -6.968 -5.709 1.00 0.00 C ATOM 927 C ILE A 57 -5.903 -6.037 -6.399 1.00 0.00 C ATOM 928 O ILE A 57 -6.839 -5.549 -5.767 1.00 0.00 O ATOM 929 CB ILE A 57 -4.678 -6.657 -4.217 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.238 -5.214 -3.927 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.702 -7.653 -3.570 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.581 -4.762 -2.505 1.00 0.00 C ATOM 0 H ILE A 57 -3.138 -6.147 -6.461 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.349 -7.962 -5.706 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.662 -6.771 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.162 -5.130 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.715 -4.543 -4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.569 -7.401 -2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.104 -8.663 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.740 -7.603 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.246 -3.735 -2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.659 -4.817 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.082 -5.412 -1.786 1.00 0.00 H new ATOM 944 N ASP A 58 -5.715 -5.787 -7.697 1.00 0.00 N ATOM 945 CA ASP A 58 -6.606 -5.022 -8.565 1.00 0.00 C ATOM 946 C ASP A 58 -6.605 -3.531 -8.197 1.00 0.00 C ATOM 947 O ASP A 58 -7.467 -2.788 -8.657 1.00 0.00 O ATOM 948 CB ASP A 58 -8.018 -5.651 -8.569 1.00 0.00 C ATOM 949 CG ASP A 58 -8.641 -5.755 -9.962 1.00 0.00 C ATOM 950 OD1 ASP A 58 -8.955 -4.731 -10.603 1.00 0.00 O ATOM 951 OD2 ASP A 58 -8.844 -6.895 -10.453 1.00 0.00 O ATOM 0 H ASP A 58 -4.894 -6.132 -8.194 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.234 -5.071 -9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.964 -6.647 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.673 -5.057 -7.931 1.00 0.00 H new ATOM 956 N TYR A 59 -5.662 -3.073 -7.361 1.00 0.00 N ATOM 957 CA TYR A 59 -5.604 -1.710 -6.837 1.00 0.00 C ATOM 958 C TYR A 59 -4.320 -1.021 -7.346 1.00 0.00 C ATOM 959 O TYR A 59 -3.348 -0.906 -6.593 1.00 0.00 O ATOM 960 CB TYR A 59 -5.617 -1.718 -5.298 1.00 0.00 C ATOM 961 CG TYR A 59 -6.874 -2.070 -4.521 1.00 0.00 C ATOM 962 CD1 TYR A 59 -8.034 -2.630 -5.092 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.858 -1.772 -3.150 1.00 0.00 C ATOM 964 CE1 TYR A 59 -9.156 -2.905 -4.290 1.00 0.00 C ATOM 965 CE2 TYR A 59 -7.972 -2.034 -2.343 1.00 0.00 C ATOM 966 CZ TYR A 59 -9.130 -2.602 -2.911 1.00 0.00 C ATOM 967 OH TYR A 59 -10.182 -2.898 -2.105 1.00 0.00 O ATOM 0 H TYR A 59 -4.899 -3.661 -7.024 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.479 -1.161 -7.185 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.840 -2.412 -4.977 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.310 -0.724 -4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.062 -2.849 -6.149 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.974 -1.334 -2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.038 -3.348 -4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.944 -1.802 -1.289 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.779 -3.525 -2.564 1.00 0.00 H new ATOM 977 N PRO A 60 -4.262 -0.578 -8.612 1.00 0.00 N ATOM 978 CA PRO A 60 -3.071 0.036 -9.179 1.00 0.00 C ATOM 979 C PRO A 60 -2.809 1.397 -8.529 1.00 0.00 C ATOM 980 O PRO A 60 -3.717 2.217 -8.354 1.00 0.00 O ATOM 981 CB PRO A 60 -3.347 0.148 -10.678 1.00 0.00 C ATOM 982 CG PRO A 60 -4.865 0.270 -10.744 1.00 0.00 C ATOM 983 CD PRO A 60 -5.337 -0.605 -9.584 1.00 0.00 C ATOM 0 HA PRO A 60 -2.171 -0.551 -8.998 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.854 1.017 -11.115 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.989 -0.728 -11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.191 1.303 -10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.256 -0.082 -11.699 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.263 -0.221 -9.155 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.538 -1.623 -9.918 1.00 0.00 H new ATOM 991 N VAL A 61 -1.554 1.651 -8.177 1.00 0.00 N ATOM 992 CA VAL A 61 -1.135 2.868 -7.487 1.00 0.00 C ATOM 993 C VAL A 61 -1.300 4.070 -8.430 1.00 0.00 C ATOM 994 O VAL A 61 -0.764 4.049 -9.541 1.00 0.00 O ATOM 995 CB VAL A 61 0.316 2.671 -6.997 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.842 3.911 -6.272 1.00 0.00 C ATOM 997 CG2 VAL A 61 0.421 1.464 -6.047 1.00 0.00 C ATOM 0 H VAL A 61 -0.785 1.007 -8.366 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.755 3.071 -6.614 1.00 0.00 H new ATOM 0 HB VAL A 61 0.922 2.494 -7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.866 3.733 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.822 4.765 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.214 4.120 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.454 1.349 -5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.220 1.626 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.104 0.561 -6.569 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.018 5.124 -8.019 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.126 6.360 -8.800 1.00 0.00 C ATOM 1009 C GLU A 62 -0.772 7.080 -8.791 1.00 0.00 C ATOM 1010 O GLU A 62 -0.165 7.269 -9.843 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.257 7.274 -8.281 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.277 8.595 -9.085 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.581 9.405 -9.073 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.607 9.047 -8.468 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -4.590 10.504 -9.692 1.00 0.00 O ATOM 0 H GLU A 62 -2.537 5.143 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.389 6.104 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.217 6.767 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.109 7.485 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.479 9.234 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.033 8.363 -10.122 1.00 0.00 H new ATOM 1022 N SER A 63 -0.264 7.428 -7.607 1.00 0.00 N ATOM 1023 CA SER A 63 1.032 8.073 -7.410 1.00 0.00 C ATOM 1024 C SER A 63 1.716 7.435 -6.205 1.00 0.00 C ATOM 1025 O SER A 63 1.054 6.819 -5.372 1.00 0.00 O ATOM 1026 CB SER A 63 0.850 9.580 -7.153 1.00 0.00 C ATOM 1027 OG SER A 63 0.041 10.228 -8.118 1.00 0.00 O ATOM 0 H SER A 63 -0.761 7.262 -6.732 1.00 0.00 H new ATOM 0 HA SER A 63 1.639 7.943 -8.306 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.407 9.721 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.830 10.057 -7.133 1.00 0.00 H new ATOM 0 HG SER A 63 -0.035 11.179 -7.895 1.00 0.00 H new ATOM 1033 N TYR A 64 3.023 7.624 -6.065 1.00 0.00 N ATOM 1034 CA TYR A 64 3.790 7.254 -4.885 1.00 0.00 C ATOM 1035 C TYR A 64 4.712 8.427 -4.537 1.00 0.00 C ATOM 1036 O TYR A 64 4.792 9.402 -5.289 1.00 0.00 O ATOM 1037 CB TYR A 64 4.531 5.926 -5.120 1.00 0.00 C ATOM 1038 CG TYR A 64 5.456 5.955 -6.325 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.745 6.516 -6.208 1.00 0.00 C ATOM 1040 CD2 TYR A 64 4.999 5.498 -7.579 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.561 6.656 -7.346 1.00 0.00 C ATOM 1042 CE2 TYR A 64 5.819 5.624 -8.714 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.094 6.224 -8.609 1.00 0.00 C ATOM 1044 OH TYR A 64 7.844 6.417 -9.730 1.00 0.00 O ATOM 0 H TYR A 64 3.594 8.052 -6.793 1.00 0.00 H new ATOM 0 HA TYR A 64 3.142 7.071 -4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.112 5.681 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.799 5.129 -5.252 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.106 6.839 -5.243 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.020 5.052 -7.667 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.544 7.094 -7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.473 5.261 -9.670 1.00 0.00 H new ATOM 0 HH TYR A 64 7.369 6.057 -10.508 1.00 0.00 H new ATOM 1054 N GLN A 65 5.374 8.356 -3.384 1.00 0.00 N ATOM 1055 CA GLN A 65 6.220 9.407 -2.838 1.00 0.00 C ATOM 1056 C GLN A 65 7.225 8.734 -1.927 1.00 0.00 C ATOM 1057 O GLN A 65 6.808 8.039 -1.003 1.00 0.00 O ATOM 1058 CB GLN A 65 5.365 10.370 -1.991 1.00 0.00 C ATOM 1059 CG GLN A 65 5.027 11.711 -2.619 1.00 0.00 C ATOM 1060 CD GLN A 65 3.861 12.356 -1.875 1.00 0.00 C ATOM 1061 OE1 GLN A 65 2.722 11.894 -1.952 1.00 0.00 O ATOM 1062 NE2 GLN A 65 4.113 13.395 -1.101 1.00 0.00 N ATOM 0 H GLN A 65 5.332 7.532 -2.784 1.00 0.00 H new ATOM 0 HA GLN A 65 6.707 9.965 -3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.431 9.866 -1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.889 10.555 -1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.897 12.367 -2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.769 11.575 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.060 13.771 -1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.361 13.822 -0.560 1.00 0.00 H new ATOM 1071 N GLU A 66 8.515 8.938 -2.154 1.00 0.00 N ATOM 1072 CA GLU A 66 9.547 8.546 -1.211 1.00 0.00 C ATOM 1073 C GLU A 66 9.392 9.372 0.067 1.00 0.00 C ATOM 1074 O GLU A 66 9.193 10.589 -0.009 1.00 0.00 O ATOM 1075 CB GLU A 66 10.923 8.776 -1.852 1.00 0.00 C ATOM 1076 CG GLU A 66 11.812 7.563 -1.594 1.00 0.00 C ATOM 1077 CD GLU A 66 13.204 7.764 -2.183 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.953 8.594 -1.640 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.548 7.108 -3.202 1.00 0.00 O ATOM 0 H GLU A 66 8.874 9.381 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 66 9.454 7.490 -0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.814 8.939 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.384 9.673 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.890 7.388 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.355 6.675 -2.030 1.00 0.00 H new ATOM 1086 N VAL A 67 9.487 8.739 1.236 1.00 0.00 N ATOM 1087 CA VAL A 67 9.417 9.408 2.532 1.00 0.00 C ATOM 1088 C VAL A 67 10.333 8.641 3.495 1.00 0.00 C ATOM 1089 O VAL A 67 11.051 7.727 3.044 1.00 0.00 O ATOM 1090 CB VAL A 67 7.915 9.600 2.883 1.00 0.00 C ATOM 1091 CG1 VAL A 67 7.228 8.404 3.532 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.637 10.818 3.755 1.00 0.00 C ATOM 0 H VAL A 67 9.617 7.730 1.309 1.00 0.00 H new ATOM 0 HA VAL A 67 9.809 10.424 2.574 1.00 0.00 H new ATOM 0 HB VAL A 67 7.487 9.740 1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.185 8.649 3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.277 7.548 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.731 8.159 4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.568 10.885 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.179 10.723 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.965 11.719 3.237 1.00 0.00 H new TER 1102 VAL A 67