USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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 51 THR OG1 : rot 180:sc=-0.00449 USER MOD Set 1.2: A 54 GLN : amide:sc= 0.4 K(o=0.85,f=-0.085) USER MOD Set 1.3: A 61 HIS : no HD1:sc= 0.453 K(o=0.85,f=-5.8!) USER MOD Single : A 2 ASN : amide:sc= -0.132 K(o=-0.13,f=0.57) USER MOD Single : A 6 TYR OH : rot 150:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.03) USER MOD Single : A 22 SER OG : rot 78:sc= 0.512 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.19) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.287 K(o=-0.29,f=-4.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -165:sc= -0.539 (180deg=-0.917) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -37:sc= 1.93 USER MOD Single : A 50 THR OG1 : rot 150:sc= -0.211 USER MOD Single : A 60 GLN : amide:sc= 0.335 X(o=0.33,f=0) USER MOD Single : A 65 TYR OH : rot -84:sc= 1.52 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN A 2 -4.680 8.514 -6.904 1.00 0.00 N ATOM 14 CA ASN A 2 -3.405 7.817 -7.039 1.00 0.00 C ATOM 15 C ASN A 2 -3.217 7.014 -5.763 1.00 0.00 C ATOM 16 O ASN A 2 -3.215 7.587 -4.672 1.00 0.00 O ATOM 17 CB ASN A 2 -2.152 8.701 -7.272 1.00 0.00 C ATOM 18 CG ASN A 2 -2.276 10.066 -7.941 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.326 10.504 -8.402 1.00 0.00 O ATOM 20 ND2 ASN A 2 -1.160 10.764 -8.060 1.00 0.00 N ATOM 0 HA ASN A 2 -3.472 7.215 -7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.687 8.862 -6.299 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.452 8.115 -7.867 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.171 11.667 -8.535 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.288 10.400 -7.677 1.00 0.00 H new ATOM 27 N VAL A 3 -3.085 5.696 -5.890 1.00 0.00 N ATOM 28 CA VAL A 3 -2.928 4.789 -4.763 1.00 0.00 C ATOM 29 C VAL A 3 -1.698 3.975 -5.038 1.00 0.00 C ATOM 30 O VAL A 3 -1.532 3.454 -6.137 1.00 0.00 O ATOM 31 CB VAL A 3 -4.178 3.928 -4.560 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.011 2.883 -3.443 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.303 4.893 -4.177 1.00 0.00 C ATOM 0 H VAL A 3 -3.084 5.224 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.810 5.335 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.384 3.371 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.929 2.304 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.185 2.216 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.800 3.388 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.225 4.333 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.035 5.418 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.451 5.616 -4.979 1.00 0.00 H new ATOM 43 N GLU A 4 -0.846 3.862 -4.034 1.00 0.00 N ATOM 44 CA GLU A 4 0.482 3.330 -4.189 1.00 0.00 C ATOM 45 C GLU A 4 0.774 2.388 -3.042 1.00 0.00 C ATOM 46 O GLU A 4 0.591 2.771 -1.891 1.00 0.00 O ATOM 47 CB GLU A 4 1.428 4.545 -4.220 1.00 0.00 C ATOM 48 CG GLU A 4 1.478 5.198 -5.606 1.00 0.00 C ATOM 49 CD GLU A 4 2.363 6.442 -5.669 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.426 7.238 -4.702 1.00 0.00 O ATOM 51 OE2 GLU A 4 2.963 6.681 -6.738 1.00 0.00 O ATOM 0 H GLU A 4 -1.067 4.143 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 4 0.607 2.751 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.099 5.279 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.431 4.231 -3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.842 4.468 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.466 5.468 -5.907 1.00 0.00 H new ATOM 58 N ILE A 5 1.201 1.159 -3.337 1.00 0.00 N ATOM 59 CA ILE A 5 1.429 0.138 -2.327 1.00 0.00 C ATOM 60 C ILE A 5 2.820 -0.456 -2.504 1.00 0.00 C ATOM 61 O ILE A 5 3.090 -1.122 -3.501 1.00 0.00 O ATOM 62 CB ILE A 5 0.264 -0.872 -2.308 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.385 -1.712 -1.017 1.00 0.00 C ATOM 64 CG2 ILE A 5 0.142 -1.785 -3.538 1.00 0.00 C ATOM 65 CD1 ILE A 5 -0.728 -2.744 -0.821 1.00 0.00 C ATOM 0 H ILE A 5 1.398 0.848 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 5 1.428 0.568 -1.325 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.654 -0.285 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.345 -2.229 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.393 -1.038 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.711 -2.452 -3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.001 -1.176 -4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.052 -2.376 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.562 -3.286 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.692 -2.236 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.725 -3.446 -1.655 1.00 0.00 H new ATOM 77 N TYR A 6 3.726 -0.182 -1.566 1.00 0.00 N ATOM 78 CA TYR A 6 5.071 -0.738 -1.632 1.00 0.00 C ATOM 79 C TYR A 6 5.023 -2.223 -1.264 1.00 0.00 C ATOM 80 O TYR A 6 4.244 -2.600 -0.385 1.00 0.00 O ATOM 81 CB TYR A 6 6.037 0.032 -0.725 1.00 0.00 C ATOM 82 CG TYR A 6 6.487 1.407 -1.215 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.562 2.447 -1.447 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.864 1.670 -1.375 1.00 0.00 C ATOM 85 CE1 TYR A 6 6.007 3.731 -1.815 1.00 0.00 C ATOM 86 CE2 TYR A 6 8.318 2.956 -1.713 1.00 0.00 C ATOM 87 CZ TYR A 6 7.388 3.992 -1.943 1.00 0.00 C ATOM 88 OH TYR A 6 7.833 5.234 -2.273 1.00 0.00 O ATOM 0 H TYR A 6 3.552 0.417 -0.759 1.00 0.00 H new ATOM 0 HA TYR A 6 5.447 -0.638 -2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.564 0.156 0.249 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.924 -0.583 -0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.504 2.257 -1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.579 0.872 -1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.290 4.518 -2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.377 3.151 -1.797 1.00 0.00 H new ATOM 0 HH TYR A 6 8.715 5.382 -1.873 1.00 0.00 H new ATOM 98 N THR A 7 5.839 -3.063 -1.910 1.00 0.00 N ATOM 99 CA THR A 7 5.780 -4.526 -1.801 1.00 0.00 C ATOM 100 C THR A 7 7.178 -5.166 -1.938 1.00 0.00 C ATOM 101 O THR A 7 8.177 -4.462 -2.090 1.00 0.00 O ATOM 102 CB THR A 7 4.811 -5.077 -2.873 1.00 0.00 C ATOM 103 OG1 THR A 7 5.214 -4.697 -4.175 1.00 0.00 O ATOM 104 CG2 THR A 7 3.357 -4.635 -2.686 1.00 0.00 C ATOM 0 H THR A 7 6.575 -2.738 -2.537 1.00 0.00 H new ATOM 0 HA THR A 7 5.410 -4.787 -0.809 1.00 0.00 H new ATOM 0 HB THR A 7 4.856 -6.159 -2.749 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.584 -5.061 -4.832 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.742 -5.063 -3.477 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.994 -4.979 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.299 -3.547 -2.730 1.00 0.00 H new ATOM 112 N LYS A 8 7.297 -6.500 -1.859 1.00 0.00 N ATOM 113 CA LYS A 8 8.523 -7.236 -2.213 1.00 0.00 C ATOM 114 C LYS A 8 8.110 -8.628 -2.719 1.00 0.00 C ATOM 115 O LYS A 8 6.922 -8.901 -2.887 1.00 0.00 O ATOM 116 CB LYS A 8 9.616 -7.272 -1.096 1.00 0.00 C ATOM 117 CG LYS A 8 9.203 -6.910 0.334 1.00 0.00 C ATOM 118 CD LYS A 8 10.347 -6.917 1.370 1.00 0.00 C ATOM 119 CE LYS A 8 10.884 -8.321 1.693 1.00 0.00 C ATOM 120 NZ LYS A 8 11.868 -8.280 2.796 1.00 0.00 N ATOM 0 H LYS A 8 6.538 -7.105 -1.545 1.00 0.00 H new ATOM 0 HA LYS A 8 9.033 -6.692 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.039 -8.277 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.417 -6.595 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.749 -5.919 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.434 -7.610 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.166 -6.302 0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.994 -6.453 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.056 -8.975 1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.348 -8.748 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.212 -9.242 2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.669 -7.674 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.416 -7.895 3.650 1.00 0.00 H new ATOM 134 N GLU A 9 9.093 -9.494 -2.943 1.00 0.00 N ATOM 135 CA GLU A 9 9.053 -10.922 -3.236 1.00 0.00 C ATOM 136 C GLU A 9 7.923 -11.611 -2.477 1.00 0.00 C ATOM 137 O GLU A 9 6.958 -12.103 -3.064 1.00 0.00 O ATOM 138 CB GLU A 9 10.417 -11.544 -2.837 1.00 0.00 C ATOM 139 CG GLU A 9 11.117 -10.810 -1.665 1.00 0.00 C ATOM 140 CD GLU A 9 12.201 -11.591 -0.938 1.00 0.00 C ATOM 141 OE1 GLU A 9 12.802 -12.522 -1.518 1.00 0.00 O ATOM 142 OE2 GLU A 9 12.434 -11.247 0.243 1.00 0.00 O ATOM 0 H GLU A 9 10.059 -9.168 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 9 8.868 -11.063 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.264 -12.587 -2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.077 -11.537 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.557 -9.890 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.357 -10.520 -0.939 1.00 0.00 H new ATOM 149 N THR A 10 8.038 -11.601 -1.156 1.00 0.00 N ATOM 150 CA THR A 10 7.226 -12.365 -0.233 1.00 0.00 C ATOM 151 C THR A 10 6.824 -11.398 0.870 1.00 0.00 C ATOM 152 O THR A 10 7.673 -10.704 1.444 1.00 0.00 O ATOM 153 CB THR A 10 7.996 -13.628 0.214 1.00 0.00 C ATOM 154 OG1 THR A 10 7.160 -14.497 0.950 1.00 0.00 O ATOM 155 CG2 THR A 10 9.279 -13.383 1.016 1.00 0.00 C ATOM 0 H THR A 10 8.736 -11.030 -0.681 1.00 0.00 H new ATOM 0 HA THR A 10 6.309 -12.764 -0.667 1.00 0.00 H new ATOM 0 HB THR A 10 8.311 -14.079 -0.727 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.669 -15.290 1.220 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.734 -14.339 1.275 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.977 -12.799 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.039 -12.836 1.928 1.00 0.00 H new ATOM 163 N CYS A 11 5.518 -11.270 1.093 1.00 0.00 N ATOM 164 CA CYS A 11 4.924 -10.358 2.048 1.00 0.00 C ATOM 165 C CYS A 11 3.438 -10.732 2.158 1.00 0.00 C ATOM 166 O CYS A 11 2.656 -10.348 1.281 1.00 0.00 O ATOM 167 CB CYS A 11 5.116 -8.929 1.531 1.00 0.00 C ATOM 168 SG CYS A 11 4.272 -7.639 2.460 1.00 0.00 S ATOM 0 H CYS A 11 4.824 -11.823 0.590 1.00 0.00 H new ATOM 0 HA CYS A 11 5.384 -10.422 3.034 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.183 -8.706 1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.774 -8.888 0.497 1.00 0.00 H new ATOM 173 N PRO A 12 3.005 -11.459 3.205 1.00 0.00 N ATOM 174 CA PRO A 12 1.637 -11.951 3.289 1.00 0.00 C ATOM 175 C PRO A 12 0.668 -10.776 3.382 1.00 0.00 C ATOM 176 O PRO A 12 -0.377 -10.786 2.738 1.00 0.00 O ATOM 177 CB PRO A 12 1.592 -12.850 4.525 1.00 0.00 C ATOM 178 CG PRO A 12 2.701 -12.302 5.413 1.00 0.00 C ATOM 179 CD PRO A 12 3.740 -11.812 4.407 1.00 0.00 C ATOM 0 HA PRO A 12 1.338 -12.516 2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.622 -12.801 5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.766 -13.895 4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.344 -11.493 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.108 -13.070 6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.284 -10.952 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.477 -12.588 4.199 1.00 0.00 H new ATOM 187 N TYR A 13 1.059 -9.702 4.070 1.00 0.00 N ATOM 188 CA TYR A 13 0.206 -8.545 4.265 1.00 0.00 C ATOM 189 C TYR A 13 0.097 -7.755 2.959 1.00 0.00 C ATOM 190 O TYR A 13 -0.970 -7.228 2.663 1.00 0.00 O ATOM 191 CB TYR A 13 0.804 -7.677 5.377 1.00 0.00 C ATOM 192 CG TYR A 13 0.805 -8.333 6.744 1.00 0.00 C ATOM 193 CD1 TYR A 13 -0.373 -8.342 7.511 1.00 0.00 C ATOM 194 CD2 TYR A 13 1.979 -8.918 7.260 1.00 0.00 C ATOM 195 CE1 TYR A 13 -0.378 -8.917 8.792 1.00 0.00 C ATOM 196 CE2 TYR A 13 1.979 -9.498 8.541 1.00 0.00 C ATOM 197 CZ TYR A 13 0.801 -9.483 9.323 1.00 0.00 C ATOM 198 OH TYR A 13 0.793 -9.973 10.595 1.00 0.00 O ATOM 0 H TYR A 13 1.978 -9.617 4.505 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.796 -8.860 4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.829 -7.418 5.110 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.244 -6.743 5.435 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.277 -7.905 7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.883 -8.921 6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.288 -8.926 9.374 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.878 -9.955 8.927 1.00 0.00 H new ATOM 0 HH TYR A 13 1.679 -10.330 10.814 1.00 0.00 H new ATOM 208 N CYS A 14 1.144 -7.726 2.129 1.00 0.00 N ATOM 209 CA CYS A 14 1.079 -7.131 0.802 1.00 0.00 C ATOM 210 C CYS A 14 0.050 -7.879 -0.030 1.00 0.00 C ATOM 211 O CYS A 14 -0.853 -7.254 -0.580 1.00 0.00 O ATOM 212 CB CYS A 14 2.434 -7.175 0.098 1.00 0.00 C ATOM 213 SG CYS A 14 3.803 -6.363 0.953 1.00 0.00 S ATOM 0 H CYS A 14 2.057 -8.115 2.363 1.00 0.00 H new ATOM 0 HA CYS A 14 0.792 -6.085 0.911 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.702 -8.219 -0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.324 -6.718 -0.885 1.00 0.00 H new ATOM 218 N HIS A 15 0.154 -9.211 -0.080 1.00 0.00 N ATOM 219 CA HIS A 15 -0.845 -10.040 -0.736 1.00 0.00 C ATOM 220 C HIS A 15 -2.241 -9.749 -0.172 1.00 0.00 C ATOM 221 O HIS A 15 -3.166 -9.586 -0.958 1.00 0.00 O ATOM 222 CB HIS A 15 -0.461 -11.525 -0.630 1.00 0.00 C ATOM 223 CG HIS A 15 -1.645 -12.448 -0.775 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.531 -12.483 -1.840 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.085 -13.317 0.183 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.490 -13.371 -1.528 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.243 -13.887 -0.308 1.00 0.00 N ATOM 0 H HIS A 15 0.927 -9.734 0.331 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.876 -9.794 -1.797 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.274 -11.761 -1.400 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.017 -11.704 0.333 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.619 -13.518 1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.328 -13.631 -2.157 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.815 -14.582 0.172 1.00 0.00 H new ATOM 236 N ARG A 16 -2.435 -9.658 1.149 1.00 0.00 N ATOM 237 CA ARG A 16 -3.758 -9.398 1.720 1.00 0.00 C ATOM 238 C ARG A 16 -4.331 -8.076 1.232 1.00 0.00 C ATOM 239 O ARG A 16 -5.467 -8.042 0.765 1.00 0.00 O ATOM 240 CB ARG A 16 -3.733 -9.452 3.253 1.00 0.00 C ATOM 241 CG ARG A 16 -3.577 -10.904 3.719 1.00 0.00 C ATOM 242 CD ARG A 16 -3.708 -11.070 5.235 1.00 0.00 C ATOM 243 NE ARG A 16 -3.393 -12.451 5.633 1.00 0.00 N ATOM 244 CZ ARG A 16 -4.121 -13.541 5.352 1.00 0.00 C ATOM 245 NH1 ARG A 16 -5.312 -13.437 4.768 1.00 0.00 N ATOM 246 NH2 ARG A 16 -3.648 -14.741 5.646 1.00 0.00 N ATOM 0 H ARG A 16 -1.692 -9.761 1.840 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.416 -10.193 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.910 -8.848 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.653 -9.028 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.330 -11.519 3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.603 -11.277 3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.036 -10.377 5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.721 -10.818 5.548 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.540 -12.592 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.684 -12.518 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.853 -14.276 4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.732 -14.835 6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.199 -15.573 5.434 1.00 0.00 H new ATOM 260 N ALA A 17 -3.557 -6.995 1.311 1.00 0.00 N ATOM 261 CA ALA A 17 -3.983 -5.701 0.800 1.00 0.00 C ATOM 262 C ALA A 17 -4.272 -5.783 -0.700 1.00 0.00 C ATOM 263 O ALA A 17 -5.290 -5.260 -1.135 1.00 0.00 O ATOM 264 CB ALA A 17 -2.894 -4.663 1.069 1.00 0.00 C ATOM 0 H ALA A 17 -2.626 -6.994 1.728 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.900 -5.405 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.213 -3.694 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.719 -4.590 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.973 -4.965 0.571 1.00 0.00 H new ATOM 270 N LYS A 18 -3.430 -6.448 -1.497 1.00 0.00 N ATOM 271 CA LYS A 18 -3.701 -6.645 -2.918 1.00 0.00 C ATOM 272 C LYS A 18 -5.034 -7.353 -3.095 1.00 0.00 C ATOM 273 O LYS A 18 -5.895 -6.842 -3.791 1.00 0.00 O ATOM 274 CB LYS A 18 -2.580 -7.442 -3.596 1.00 0.00 C ATOM 275 CG LYS A 18 -1.337 -6.590 -3.875 1.00 0.00 C ATOM 276 CD LYS A 18 -0.255 -7.473 -4.508 1.00 0.00 C ATOM 277 CE LYS A 18 0.716 -6.616 -5.319 1.00 0.00 C ATOM 278 NZ LYS A 18 1.383 -7.393 -6.381 1.00 0.00 N ATOM 0 H LYS A 18 -2.553 -6.859 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.746 -5.666 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.304 -8.285 -2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.950 -7.856 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.588 -5.766 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.968 -6.149 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.286 -8.012 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.717 -8.221 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.177 -5.780 -5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.468 -6.191 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.697 -6.751 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.207 -7.888 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.717 -8.089 -6.773 1.00 0.00 H new ATOM 292 N ALA A 19 -5.249 -8.474 -2.416 1.00 0.00 N ATOM 293 CA ALA A 19 -6.446 -9.285 -2.559 1.00 0.00 C ATOM 294 C ALA A 19 -7.697 -8.526 -2.113 1.00 0.00 C ATOM 295 O ALA A 19 -8.794 -8.887 -2.535 1.00 0.00 O ATOM 296 CB ALA A 19 -6.287 -10.585 -1.764 1.00 0.00 C ATOM 0 H ALA A 19 -4.583 -8.849 -1.740 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.574 -9.524 -3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.187 -11.191 -1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.428 -11.140 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.133 -10.351 -0.711 1.00 0.00 H new ATOM 302 N LEU A 20 -7.558 -7.501 -1.268 1.00 0.00 N ATOM 303 CA LEU A 20 -8.618 -6.564 -0.902 1.00 0.00 C ATOM 304 C LEU A 20 -8.856 -5.570 -2.043 1.00 0.00 C ATOM 305 O LEU A 20 -9.990 -5.379 -2.476 1.00 0.00 O ATOM 306 CB LEU A 20 -8.224 -5.854 0.402 1.00 0.00 C ATOM 307 CG LEU A 20 -9.194 -4.741 0.833 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.517 -5.302 1.347 1.00 0.00 C ATOM 309 CD2 LEU A 20 -8.537 -3.928 1.946 1.00 0.00 C ATOM 0 H LEU A 20 -6.673 -7.295 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.555 -7.096 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.160 -6.594 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.228 -5.427 0.283 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.409 -4.122 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.171 -4.481 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.996 -5.884 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.330 -5.943 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.212 -3.134 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.319 -4.579 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.609 -3.490 1.578 1.00 0.00 H new ATOM 321 N LEU A 21 -7.796 -4.939 -2.548 1.00 0.00 N ATOM 322 CA LEU A 21 -7.861 -3.957 -3.628 1.00 0.00 C ATOM 323 C LEU A 21 -8.428 -4.582 -4.905 1.00 0.00 C ATOM 324 O LEU A 21 -9.293 -3.996 -5.551 1.00 0.00 O ATOM 325 CB LEU A 21 -6.453 -3.375 -3.867 1.00 0.00 C ATOM 326 CG LEU A 21 -5.911 -2.479 -2.735 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.459 -2.096 -3.029 1.00 0.00 C ATOM 328 CD2 LEU A 21 -6.712 -1.192 -2.548 1.00 0.00 C ATOM 0 H LEU A 21 -6.848 -5.101 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.535 -3.150 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.758 -4.200 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.469 -2.796 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.994 -3.063 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.080 -1.463 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.851 -2.998 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.410 -1.554 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.278 -0.608 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.685 -0.610 -3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.745 -1.439 -2.305 1.00 0.00 H new ATOM 340 N SER A 22 -8.005 -5.796 -5.240 1.00 0.00 N ATOM 341 CA SER A 22 -8.508 -6.597 -6.342 1.00 0.00 C ATOM 342 C SER A 22 -9.952 -7.037 -6.086 1.00 0.00 C ATOM 343 O SER A 22 -10.716 -7.182 -7.043 1.00 0.00 O ATOM 344 CB SER A 22 -7.600 -7.818 -6.524 1.00 0.00 C ATOM 345 OG SER A 22 -6.243 -7.437 -6.647 1.00 0.00 O ATOM 0 H SER A 22 -7.264 -6.269 -4.722 1.00 0.00 H new ATOM 0 HA SER A 22 -8.503 -5.997 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.715 -8.490 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.906 -8.372 -7.411 1.00 0.00 H new ATOM 0 HG SER A 22 -5.881 -7.226 -5.761 1.00 0.00 H new ATOM 351 N SER A 23 -10.358 -7.181 -4.817 1.00 0.00 N ATOM 352 CA SER A 23 -11.751 -7.379 -4.449 1.00 0.00 C ATOM 353 C SER A 23 -12.544 -6.147 -4.863 1.00 0.00 C ATOM 354 O SER A 23 -13.651 -6.293 -5.380 1.00 0.00 O ATOM 355 CB SER A 23 -11.903 -7.633 -2.935 1.00 0.00 C ATOM 356 OG SER A 23 -12.638 -8.812 -2.670 1.00 0.00 O ATOM 0 H SER A 23 -9.721 -7.162 -4.020 1.00 0.00 H new ATOM 0 HA SER A 23 -12.133 -8.260 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.916 -7.710 -2.479 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.403 -6.782 -2.472 1.00 0.00 H new ATOM 0 HG SER A 23 -12.712 -8.941 -1.701 1.00 0.00 H new ATOM 362 N LYS A 24 -12.022 -4.935 -4.642 1.00 0.00 N ATOM 363 CA LYS A 24 -12.721 -3.712 -5.019 1.00 0.00 C ATOM 364 C LYS A 24 -12.484 -3.342 -6.489 1.00 0.00 C ATOM 365 O LYS A 24 -13.134 -2.427 -6.984 1.00 0.00 O ATOM 366 CB LYS A 24 -12.318 -2.607 -4.034 1.00 0.00 C ATOM 367 CG LYS A 24 -13.027 -2.715 -2.673 1.00 0.00 C ATOM 368 CD LYS A 24 -14.518 -2.348 -2.746 1.00 0.00 C ATOM 369 CE LYS A 24 -15.102 -2.345 -1.333 1.00 0.00 C ATOM 370 NZ LYS A 24 -16.502 -1.881 -1.305 1.00 0.00 N ATOM 0 H LYS A 24 -11.115 -4.780 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.799 -3.860 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.240 -2.645 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.542 -1.636 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.926 -3.733 -2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.531 -2.059 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.642 -1.368 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.051 -3.064 -3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.047 -3.351 -0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.496 -1.703 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.891 -2.008 -0.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.539 -0.874 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.064 -2.433 -1.984 1.00 0.00 H new ATOM 384 N GLY A 25 -11.601 -4.059 -7.192 1.00 0.00 N ATOM 385 CA GLY A 25 -11.377 -3.923 -8.623 1.00 0.00 C ATOM 386 C GLY A 25 -10.732 -2.595 -8.971 1.00 0.00 C ATOM 387 O GLY A 25 -11.055 -1.990 -9.993 1.00 0.00 O ATOM 0 H GLY A 25 -11.008 -4.769 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.741 -4.737 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.327 -4.014 -9.149 1.00 0.00 H new ATOM 391 N VAL A 26 -9.864 -2.109 -8.096 1.00 0.00 N ATOM 392 CA VAL A 26 -9.331 -0.756 -8.165 1.00 0.00 C ATOM 393 C VAL A 26 -8.043 -0.718 -8.989 1.00 0.00 C ATOM 394 O VAL A 26 -7.343 -1.732 -9.092 1.00 0.00 O ATOM 395 CB VAL A 26 -9.120 -0.255 -6.730 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.422 -0.354 -5.922 1.00 0.00 C ATOM 397 CG2 VAL A 26 -7.999 -1.004 -6.000 1.00 0.00 C ATOM 0 H VAL A 26 -9.506 -2.649 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.033 -0.095 -8.673 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.818 0.789 -6.810 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.249 0.006 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.192 0.254 -6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.750 -1.393 -5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.894 -0.608 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.243 -2.065 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.062 -0.872 -6.540 1.00 0.00 H new ATOM 407 N SER A 27 -7.695 0.449 -9.524 1.00 0.00 N ATOM 408 CA SER A 27 -6.420 0.691 -10.171 1.00 0.00 C ATOM 409 C SER A 27 -5.503 1.309 -9.119 1.00 0.00 C ATOM 410 O SER A 27 -5.616 2.486 -8.783 1.00 0.00 O ATOM 411 CB SER A 27 -6.572 1.612 -11.380 1.00 0.00 C ATOM 412 OG SER A 27 -7.705 1.326 -12.188 1.00 0.00 O ATOM 0 H SER A 27 -8.307 1.265 -9.517 1.00 0.00 H new ATOM 0 HA SER A 27 -6.001 -0.241 -10.552 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.638 2.643 -11.032 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.674 1.540 -11.994 1.00 0.00 H new ATOM 0 HG SER A 27 -7.738 1.955 -12.939 1.00 0.00 H new ATOM 418 N PHE A 28 -4.650 0.492 -8.523 1.00 0.00 N ATOM 419 CA PHE A 28 -3.558 0.942 -7.666 1.00 0.00 C ATOM 420 C PHE A 28 -2.235 0.772 -8.422 1.00 0.00 C ATOM 421 O PHE A 28 -2.174 0.043 -9.419 1.00 0.00 O ATOM 422 CB PHE A 28 -3.576 0.165 -6.348 1.00 0.00 C ATOM 423 CG PHE A 28 -3.458 -1.341 -6.495 1.00 0.00 C ATOM 424 CD1 PHE A 28 -4.591 -2.113 -6.812 1.00 0.00 C ATOM 425 CD2 PHE A 28 -2.220 -1.978 -6.307 1.00 0.00 C ATOM 426 CE1 PHE A 28 -4.505 -3.510 -6.901 1.00 0.00 C ATOM 427 CE2 PHE A 28 -2.129 -3.376 -6.407 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.270 -4.147 -6.692 1.00 0.00 C ATOM 0 H PHE A 28 -4.695 -0.522 -8.621 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.675 1.997 -7.417 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.757 0.520 -5.722 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.502 0.393 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.538 -1.624 -6.989 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.339 -1.393 -6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.384 -4.094 -7.129 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.175 -3.863 -6.264 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.198 -5.223 -6.750 1.00 0.00 H new ATOM 438 N GLN A 29 -1.169 1.385 -7.927 1.00 0.00 N ATOM 439 CA GLN A 29 0.210 1.180 -8.343 1.00 0.00 C ATOM 440 C GLN A 29 0.852 0.296 -7.283 1.00 0.00 C ATOM 441 O GLN A 29 0.588 0.476 -6.094 1.00 0.00 O ATOM 442 CB GLN A 29 0.923 2.545 -8.444 1.00 0.00 C ATOM 443 CG GLN A 29 2.458 2.544 -8.307 1.00 0.00 C ATOM 444 CD GLN A 29 3.172 1.850 -9.463 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.642 0.924 -10.083 1.00 0.00 O ATOM 446 NE2 GLN A 29 4.358 2.304 -9.815 1.00 0.00 N ATOM 0 H GLN A 29 -1.249 2.078 -7.182 1.00 0.00 H new ATOM 0 HA GLN A 29 0.278 0.705 -9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.669 2.990 -9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.514 3.199 -7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.809 3.574 -8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.731 2.052 -7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.786 3.070 -9.295 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.848 1.889 -10.608 1.00 0.00 H new ATOM 455 N GLU A 30 1.747 -0.598 -7.694 1.00 0.00 N ATOM 456 CA GLU A 30 2.603 -1.354 -6.786 1.00 0.00 C ATOM 457 C GLU A 30 4.017 -0.786 -6.866 1.00 0.00 C ATOM 458 O GLU A 30 4.462 -0.362 -7.930 1.00 0.00 O ATOM 459 CB GLU A 30 2.554 -2.864 -7.070 1.00 0.00 C ATOM 460 CG GLU A 30 3.033 -3.271 -8.474 1.00 0.00 C ATOM 461 CD GLU A 30 3.172 -4.786 -8.608 1.00 0.00 C ATOM 462 OE1 GLU A 30 2.234 -5.537 -8.250 1.00 0.00 O ATOM 463 OE2 GLU A 30 4.219 -5.266 -9.105 1.00 0.00 O ATOM 0 H GLU A 30 1.900 -0.820 -8.678 1.00 0.00 H new ATOM 0 HA GLU A 30 2.237 -1.245 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.165 -3.379 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.530 -3.212 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.328 -2.903 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.993 -2.798 -8.682 1.00 0.00 H new ATOM 470 N LEU A 31 4.727 -0.775 -5.741 1.00 0.00 N ATOM 471 CA LEU A 31 6.034 -0.146 -5.584 1.00 0.00 C ATOM 472 C LEU A 31 6.983 -1.155 -4.945 1.00 0.00 C ATOM 473 O LEU A 31 7.340 -1.045 -3.769 1.00 0.00 O ATOM 474 CB LEU A 31 5.860 1.161 -4.798 1.00 0.00 C ATOM 475 CG LEU A 31 5.451 2.272 -5.776 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.467 3.241 -5.144 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.687 3.015 -6.250 1.00 0.00 C ATOM 0 H LEU A 31 4.396 -1.219 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 31 6.482 0.133 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.101 1.039 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.789 1.425 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 31 4.954 1.808 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.201 4.013 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.569 2.702 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.924 3.705 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.394 3.803 -6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.197 3.457 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.359 2.320 -6.753 1.00 0.00 H new ATOM 489 N PRO A 32 7.359 -2.201 -5.687 1.00 0.00 N ATOM 490 CA PRO A 32 8.151 -3.268 -5.123 1.00 0.00 C ATOM 491 C PRO A 32 9.546 -2.728 -4.814 1.00 0.00 C ATOM 492 O PRO A 32 10.106 -1.970 -5.604 1.00 0.00 O ATOM 493 CB PRO A 32 8.129 -4.384 -6.164 1.00 0.00 C ATOM 494 CG PRO A 32 7.857 -3.674 -7.490 1.00 0.00 C ATOM 495 CD PRO A 32 7.167 -2.365 -7.118 1.00 0.00 C ATOM 0 HA PRO A 32 7.771 -3.660 -4.179 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.078 -4.920 -6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.354 -5.118 -5.942 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.784 -3.489 -8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.224 -4.281 -8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.597 -1.528 -7.667 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.107 -2.399 -7.368 1.00 0.00 H new ATOM 503 N ILE A 33 10.130 -3.128 -3.687 1.00 0.00 N ATOM 504 CA ILE A 33 11.530 -2.860 -3.336 1.00 0.00 C ATOM 505 C ILE A 33 12.422 -4.070 -3.638 1.00 0.00 C ATOM 506 O ILE A 33 13.638 -4.011 -3.456 1.00 0.00 O ATOM 507 CB ILE A 33 11.646 -2.395 -1.870 1.00 0.00 C ATOM 508 CG1 ILE A 33 11.010 -3.387 -0.871 1.00 0.00 C ATOM 509 CG2 ILE A 33 11.013 -0.999 -1.737 1.00 0.00 C ATOM 510 CD1 ILE A 33 11.597 -3.273 0.535 1.00 0.00 C ATOM 0 H ILE A 33 9.634 -3.661 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 33 11.891 -2.044 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 33 12.705 -2.352 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.935 -3.211 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.151 -4.404 -1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.090 -0.661 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.537 -0.299 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.963 -1.047 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.111 -3.994 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.667 -3.477 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.432 -2.266 0.917 1.00 0.00 H new ATOM 575 N LYS A 39 14.203 3.218 -3.851 1.00 0.00 N ATOM 576 CA LYS A 39 13.008 3.622 -3.110 1.00 0.00 C ATOM 577 C LYS A 39 12.882 2.832 -1.816 1.00 0.00 C ATOM 578 O LYS A 39 12.111 3.221 -0.947 1.00 0.00 O ATOM 579 CB LYS A 39 11.752 3.537 -3.988 1.00 0.00 C ATOM 580 CG LYS A 39 10.993 4.871 -4.016 1.00 0.00 C ATOM 581 CD LYS A 39 9.747 4.790 -4.904 1.00 0.00 C ATOM 582 CE LYS A 39 10.024 4.396 -6.361 1.00 0.00 C ATOM 583 NZ LYS A 39 10.776 5.426 -7.103 1.00 0.00 N ATOM 0 HA LYS A 39 13.112 4.670 -2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.035 3.257 -5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.096 2.752 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.701 5.146 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.652 5.658 -4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.055 4.067 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.245 5.758 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.584 3.461 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.077 4.210 -6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.933 5.105 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.232 6.313 -7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.693 5.588 -6.640 1.00 0.00 H new ATOM 597 N ARG A 40 13.648 1.747 -1.660 1.00 0.00 N ATOM 598 CA ARG A 40 13.795 1.053 -0.382 1.00 0.00 C ATOM 599 C ARG A 40 14.238 2.052 0.683 1.00 0.00 C ATOM 600 O ARG A 40 13.698 2.034 1.784 1.00 0.00 O ATOM 601 CB ARG A 40 14.824 -0.079 -0.522 1.00 0.00 C ATOM 602 CG ARG A 40 14.863 -1.009 0.692 1.00 0.00 C ATOM 603 CD ARG A 40 15.994 -2.038 0.543 1.00 0.00 C ATOM 604 NE ARG A 40 15.762 -3.232 1.367 1.00 0.00 N ATOM 605 CZ ARG A 40 15.710 -3.307 2.701 1.00 0.00 C ATOM 606 NH1 ARG A 40 16.081 -2.286 3.469 1.00 0.00 N ATOM 607 NH2 ARG A 40 15.275 -4.423 3.266 1.00 0.00 N ATOM 0 H ARG A 40 14.183 1.327 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 40 12.841 0.617 -0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.593 -0.664 -1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.813 0.354 -0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.011 -0.425 1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.907 -1.522 0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.083 -2.331 -0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.941 -1.580 0.827 1.00 0.00 H new ATOM 0 HE ARG A 40 15.624 -4.107 0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.414 -1.422 3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.032 -2.368 4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.986 -5.210 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.229 -4.496 4.282 1.00 0.00 H new ATOM 621 N GLU A 41 15.207 2.905 0.350 1.00 0.00 N ATOM 622 CA GLU A 41 15.697 3.941 1.245 1.00 0.00 C ATOM 623 C GLU A 41 14.665 5.057 1.364 1.00 0.00 C ATOM 624 O GLU A 41 14.418 5.546 2.467 1.00 0.00 O ATOM 625 CB GLU A 41 17.023 4.505 0.716 1.00 0.00 C ATOM 626 CG GLU A 41 18.164 3.482 0.734 1.00 0.00 C ATOM 627 CD GLU A 41 18.675 3.248 2.152 1.00 0.00 C ATOM 628 OE1 GLU A 41 18.043 2.501 2.929 1.00 0.00 O ATOM 629 OE2 GLU A 41 19.742 3.814 2.498 1.00 0.00 O ATOM 0 H GLU A 41 15.674 2.892 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 41 15.865 3.508 2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.878 4.860 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.308 5.369 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.817 2.540 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 41 18.981 3.834 0.104 1.00 0.00 H new ATOM 636 N GLU A 42 14.039 5.471 0.256 1.00 0.00 N ATOM 637 CA GLU A 42 13.060 6.555 0.314 1.00 0.00 C ATOM 638 C GLU A 42 11.877 6.177 1.209 1.00 0.00 C ATOM 639 O GLU A 42 11.365 7.031 1.932 1.00 0.00 O ATOM 640 CB GLU A 42 12.628 7.020 -1.081 1.00 0.00 C ATOM 641 CG GLU A 42 11.873 8.361 -0.961 1.00 0.00 C ATOM 642 CD GLU A 42 11.948 9.250 -2.204 1.00 0.00 C ATOM 643 OE1 GLU A 42 13.022 9.315 -2.846 1.00 0.00 O ATOM 644 OE2 GLU A 42 10.974 9.988 -2.470 1.00 0.00 O ATOM 0 H GLU A 42 14.191 5.079 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 42 13.544 7.417 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.500 7.137 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.988 6.270 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.826 8.154 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.274 8.913 -0.111 1.00 0.00 H new ATOM 651 N MET A 43 11.514 4.889 1.262 1.00 0.00 N ATOM 652 CA MET A 43 10.473 4.354 2.123 1.00 0.00 C ATOM 653 C MET A 43 10.693 4.668 3.600 1.00 0.00 C ATOM 654 O MET A 43 9.724 4.609 4.355 1.00 0.00 O ATOM 655 CB MET A 43 10.263 2.851 1.879 1.00 0.00 C ATOM 656 CG MET A 43 8.982 2.323 2.534 1.00 0.00 C ATOM 657 SD MET A 43 8.239 0.856 1.776 1.00 0.00 S ATOM 658 CE MET A 43 9.628 -0.286 1.636 1.00 0.00 C ATOM 0 H MET A 43 11.957 4.174 0.684 1.00 0.00 H new ATOM 0 HA MET A 43 9.552 4.868 1.847 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.223 2.663 0.806 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.120 2.300 2.268 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.200 2.096 3.577 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.241 3.123 2.530 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.365 -1.098 0.958 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.497 0.244 1.247 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.862 -0.696 2.618 1.00 0.00 H new ATOM 668 N ILE A 44 11.892 5.077 4.012 1.00 0.00 N ATOM 669 CA ILE A 44 12.126 5.594 5.351 1.00 0.00 C ATOM 670 C ILE A 44 11.311 6.873 5.495 1.00 0.00 C ATOM 671 O ILE A 44 10.306 6.854 6.199 1.00 0.00 O ATOM 672 CB ILE A 44 13.633 5.799 5.641 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.438 4.482 5.511 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.815 6.404 7.046 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.954 4.687 5.405 1.00 0.00 C ATOM 0 H ILE A 44 12.725 5.058 3.424 1.00 0.00 H new ATOM 0 HA ILE A 44 11.801 4.872 6.100 1.00 0.00 H new ATOM 0 HB ILE A 44 14.025 6.488 4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.226 3.852 6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.092 3.942 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.877 6.547 7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.304 7.365 7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.393 5.729 7.790 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.447 3.719 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.179 5.290 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.315 5.198 6.297 1.00 0.00 H new ATOM 687 N LYS A 45 11.667 7.976 4.828 1.00 0.00 N ATOM 688 CA LYS A 45 10.897 9.201 5.008 1.00 0.00 C ATOM 689 C LYS A 45 9.480 9.082 4.452 1.00 0.00 C ATOM 690 O LYS A 45 8.579 9.732 4.988 1.00 0.00 O ATOM 691 CB LYS A 45 11.625 10.426 4.444 1.00 0.00 C ATOM 692 CG LYS A 45 12.790 10.833 5.357 1.00 0.00 C ATOM 693 CD LYS A 45 13.254 12.259 5.043 1.00 0.00 C ATOM 694 CE LYS A 45 14.382 12.692 5.975 1.00 0.00 C ATOM 695 NZ LYS A 45 15.687 12.122 5.588 1.00 0.00 N ATOM 0 H LYS A 45 12.454 8.043 4.183 1.00 0.00 H new ATOM 0 HA LYS A 45 10.803 9.350 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.000 10.204 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.926 11.257 4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.481 10.768 6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.620 10.139 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.593 12.314 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.414 12.947 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.451 13.780 5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.144 12.387 6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.418 12.447 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.633 11.084 5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.930 12.433 4.626 1.00 0.00 H new ATOM 709 N ARG A 46 9.245 8.238 3.442 1.00 0.00 N ATOM 710 CA ARG A 46 7.914 8.034 2.879 1.00 0.00 C ATOM 711 C ARG A 46 7.012 7.376 3.916 1.00 0.00 C ATOM 712 O ARG A 46 5.909 7.873 4.128 1.00 0.00 O ATOM 713 CB ARG A 46 7.974 7.245 1.550 1.00 0.00 C ATOM 714 CG ARG A 46 7.590 8.061 0.303 1.00 0.00 C ATOM 715 CD ARG A 46 6.072 8.254 0.171 1.00 0.00 C ATOM 716 NE ARG A 46 5.671 8.797 -1.137 1.00 0.00 N ATOM 717 CZ ARG A 46 5.862 10.033 -1.606 1.00 0.00 C ATOM 718 NH1 ARG A 46 6.375 10.981 -0.826 1.00 0.00 N ATOM 719 NH2 ARG A 46 5.550 10.300 -2.865 1.00 0.00 N ATOM 0 H ARG A 46 9.973 7.680 2.995 1.00 0.00 H new ATOM 0 HA ARG A 46 7.481 9.002 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.984 6.858 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.310 6.384 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.074 9.036 0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.968 7.558 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.575 7.297 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.727 8.925 0.958 1.00 0.00 H new ATOM 0 HE ARG A 46 5.188 8.151 -1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.626 10.767 0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.517 11.922 -1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.169 9.566 -3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.690 11.239 -3.237 1.00 0.00 H new ATOM 733 N SER A 47 7.426 6.271 4.549 1.00 0.00 N ATOM 734 CA SER A 47 6.501 5.489 5.378 1.00 0.00 C ATOM 735 C SER A 47 6.738 5.680 6.872 1.00 0.00 C ATOM 736 O SER A 47 5.797 5.611 7.660 1.00 0.00 O ATOM 737 CB SER A 47 6.550 4.002 5.010 1.00 0.00 C ATOM 738 OG SER A 47 7.750 3.363 5.409 1.00 0.00 O ATOM 0 H SER A 47 8.377 5.904 4.505 1.00 0.00 H new ATOM 0 HA SER A 47 5.502 5.870 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.705 3.493 5.473 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.433 3.898 3.931 1.00 0.00 H new ATOM 0 HG SER A 47 8.503 3.980 5.294 1.00 0.00 H new ATOM 744 N GLY A 48 7.978 5.913 7.291 1.00 0.00 N ATOM 745 CA GLY A 48 8.356 5.877 8.694 1.00 0.00 C ATOM 746 C GLY A 48 8.305 4.461 9.270 1.00 0.00 C ATOM 747 O GLY A 48 8.107 4.290 10.477 1.00 0.00 O ATOM 0 H GLY A 48 8.750 6.133 6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.363 6.277 8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.690 6.524 9.265 1.00 0.00 H new ATOM 751 N ARG A 49 8.432 3.441 8.415 1.00 0.00 N ATOM 752 CA ARG A 49 8.447 2.034 8.790 1.00 0.00 C ATOM 753 C ARG A 49 9.543 1.291 8.037 1.00 0.00 C ATOM 754 O ARG A 49 10.331 0.596 8.674 1.00 0.00 O ATOM 755 CB ARG A 49 7.061 1.399 8.579 1.00 0.00 C ATOM 756 CG ARG A 49 6.213 1.372 9.860 1.00 0.00 C ATOM 757 CD ARG A 49 4.830 0.767 9.596 1.00 0.00 C ATOM 758 NE ARG A 49 4.110 0.471 10.849 1.00 0.00 N ATOM 759 CZ ARG A 49 3.129 1.199 11.399 1.00 0.00 C ATOM 760 NH1 ARG A 49 2.852 2.415 10.949 1.00 0.00 N ATOM 761 NH2 ARG A 49 2.405 0.718 12.404 1.00 0.00 N ATOM 0 H ARG A 49 8.530 3.583 7.410 1.00 0.00 H new ATOM 0 HA ARG A 49 8.676 1.955 9.853 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.527 1.954 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.186 0.381 8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.726 0.792 10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.102 2.385 10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.241 1.458 8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.939 -0.149 9.015 1.00 0.00 H new ATOM 0 HE ARG A 49 4.387 -0.374 11.348 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.388 2.807 10.175 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.102 2.959 11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.593 -0.217 12.766 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.661 1.284 12.813 1.00 0.00 H new ATOM 775 N THR A 50 9.590 1.379 6.703 1.00 0.00 N ATOM 776 CA THR A 50 10.607 0.737 5.865 1.00 0.00 C ATOM 777 C THR A 50 10.340 -0.777 5.737 1.00 0.00 C ATOM 778 O THR A 50 11.068 -1.506 5.070 1.00 0.00 O ATOM 779 CB THR A 50 12.022 1.159 6.332 1.00 0.00 C ATOM 780 OG1 THR A 50 11.986 2.529 6.684 1.00 0.00 O ATOM 781 CG2 THR A 50 13.062 1.023 5.223 1.00 0.00 C ATOM 0 H THR A 50 8.906 1.911 6.165 1.00 0.00 H new ATOM 0 HA THR A 50 10.546 1.090 4.836 1.00 0.00 H new ATOM 0 HB THR A 50 12.297 0.511 7.164 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.644 2.703 7.389 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.038 1.331 5.599 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.111 -0.015 4.895 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.782 1.656 4.381 1.00 0.00 H new ATOM 789 N THR A 51 9.246 -1.234 6.333 1.00 0.00 N ATOM 790 CA THR A 51 8.598 -2.529 6.228 1.00 0.00 C ATOM 791 C THR A 51 7.691 -2.500 5.005 1.00 0.00 C ATOM 792 O THR A 51 7.632 -1.497 4.288 1.00 0.00 O ATOM 793 CB THR A 51 7.864 -2.830 7.550 1.00 0.00 C ATOM 794 OG1 THR A 51 6.693 -2.058 7.699 1.00 0.00 O ATOM 795 CG2 THR A 51 8.720 -2.515 8.782 1.00 0.00 C ATOM 0 H THR A 51 8.734 -0.631 6.977 1.00 0.00 H new ATOM 0 HA THR A 51 9.309 -3.343 6.084 1.00 0.00 H new ATOM 0 HB THR A 51 7.635 -3.894 7.492 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.259 -2.282 8.549 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.156 -2.745 9.686 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.628 -3.118 8.758 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.986 -1.458 8.780 1.00 0.00 H new ATOM 803 N VAL A 52 7.051 -3.618 4.704 1.00 0.00 N ATOM 804 CA VAL A 52 5.993 -3.642 3.694 1.00 0.00 C ATOM 805 C VAL A 52 4.734 -4.332 4.260 1.00 0.00 C ATOM 806 O VAL A 52 4.862 -5.123 5.201 1.00 0.00 O ATOM 807 CB VAL A 52 6.514 -4.381 2.453 1.00 0.00 C ATOM 808 CG1 VAL A 52 7.330 -3.445 1.552 1.00 0.00 C ATOM 809 CG2 VAL A 52 7.241 -5.681 2.815 1.00 0.00 C ATOM 0 H VAL A 52 7.241 -4.520 5.140 1.00 0.00 H new ATOM 0 HA VAL A 52 5.718 -2.625 3.416 1.00 0.00 H new ATOM 0 HB VAL A 52 5.653 -4.695 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.686 -3.996 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.702 -2.616 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.183 -3.056 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.591 -6.168 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.093 -5.455 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.557 -6.346 3.342 1.00 0.00 H new ATOM 819 N PRO A 53 3.544 -4.130 3.662 1.00 0.00 N ATOM 820 CA PRO A 53 3.266 -3.140 2.631 1.00 0.00 C ATOM 821 C PRO A 53 3.249 -1.733 3.225 1.00 0.00 C ATOM 822 O PRO A 53 3.163 -1.570 4.439 1.00 0.00 O ATOM 823 CB PRO A 53 1.882 -3.497 2.081 1.00 0.00 C ATOM 824 CG PRO A 53 1.185 -4.124 3.285 1.00 0.00 C ATOM 825 CD PRO A 53 2.323 -4.824 4.028 1.00 0.00 C ATOM 0 HA PRO A 53 4.029 -3.149 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.351 -2.616 1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.947 -4.193 1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.702 -3.370 3.907 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.411 -4.828 2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.164 -4.786 5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.377 -5.877 3.751 1.00 0.00 H new ATOM 833 N GLN A 54 3.283 -0.718 2.366 1.00 0.00 N ATOM 834 CA GLN A 54 3.038 0.664 2.755 1.00 0.00 C ATOM 835 C GLN A 54 2.067 1.205 1.726 1.00 0.00 C ATOM 836 O GLN A 54 2.475 1.406 0.582 1.00 0.00 O ATOM 837 CB GLN A 54 4.320 1.509 2.796 1.00 0.00 C ATOM 838 CG GLN A 54 5.436 0.944 3.670 1.00 0.00 C ATOM 839 CD GLN A 54 5.091 0.764 5.141 1.00 0.00 C ATOM 840 OE1 GLN A 54 4.143 1.329 5.681 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.926 0.008 5.813 1.00 0.00 N ATOM 0 H GLN A 54 3.483 -0.834 1.373 1.00 0.00 H new ATOM 0 HA GLN A 54 2.639 0.710 3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.696 1.621 1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.068 2.507 3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.737 -0.022 3.265 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.301 1.604 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.703 -0.446 5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.799 -0.126 6.816 1.00 0.00 H new ATOM 850 N ILE A 55 0.794 1.346 2.089 1.00 0.00 N ATOM 851 CA ILE A 55 -0.201 1.943 1.210 1.00 0.00 C ATOM 852 C ILE A 55 -0.130 3.450 1.394 1.00 0.00 C ATOM 853 O ILE A 55 -0.002 3.939 2.520 1.00 0.00 O ATOM 854 CB ILE A 55 -1.655 1.472 1.456 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.894 0.473 2.602 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.285 0.996 0.136 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.301 -0.935 2.443 1.00 0.00 C ATOM 0 H ILE A 55 0.428 1.051 2.994 1.00 0.00 H new ATOM 0 HA ILE A 55 0.039 1.625 0.195 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.164 2.362 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.492 0.907 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.970 0.372 2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.308 0.667 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.291 1.817 -0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.703 0.167 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.544 -1.534 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.719 -1.408 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.218 -0.864 2.341 1.00 0.00 H new ATOM 869 N PHE A 56 -0.307 4.172 0.301 1.00 0.00 N ATOM 870 CA PHE A 56 -0.381 5.601 0.205 1.00 0.00 C ATOM 871 C PHE A 56 -1.584 5.924 -0.677 1.00 0.00 C ATOM 872 O PHE A 56 -1.821 5.195 -1.642 1.00 0.00 O ATOM 873 CB PHE A 56 0.897 6.080 -0.470 1.00 0.00 C ATOM 874 CG PHE A 56 2.161 5.851 0.326 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.894 4.659 0.176 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.623 6.846 1.197 1.00 0.00 C ATOM 877 CE1 PHE A 56 4.069 4.456 0.919 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.794 6.639 1.937 1.00 0.00 C ATOM 879 CZ PHE A 56 4.507 5.435 1.825 1.00 0.00 C ATOM 0 H PHE A 56 -0.410 3.727 -0.611 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.486 6.081 1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.994 5.576 -1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.804 7.146 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.553 3.899 -0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.077 7.772 1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.636 3.546 0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.152 7.413 2.600 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.385 5.263 2.430 1.00 0.00 H new ATOM 889 N ILE A 57 -2.308 7.008 -0.404 1.00 0.00 N ATOM 890 CA ILE A 57 -3.371 7.518 -1.262 1.00 0.00 C ATOM 891 C ILE A 57 -3.112 9.014 -1.379 1.00 0.00 C ATOM 892 O ILE A 57 -3.049 9.695 -0.357 1.00 0.00 O ATOM 893 CB ILE A 57 -4.747 7.217 -0.642 1.00 0.00 C ATOM 894 CG1 ILE A 57 -4.963 5.697 -0.440 1.00 0.00 C ATOM 895 CG2 ILE A 57 -5.849 7.839 -1.517 1.00 0.00 C ATOM 896 CD1 ILE A 57 -6.293 5.322 0.216 1.00 0.00 C ATOM 0 H ILE A 57 -2.167 7.566 0.438 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.376 7.048 -2.245 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.792 7.667 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.900 5.203 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.149 5.306 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.824 7.627 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.703 8.918 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.801 7.414 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.356 4.239 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.355 5.782 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.117 5.677 -0.403 1.00 0.00 H new ATOM 908 N ASP A 58 -2.887 9.530 -2.587 1.00 0.00 N ATOM 909 CA ASP A 58 -2.405 10.897 -2.789 1.00 0.00 C ATOM 910 C ASP A 58 -1.248 11.255 -1.856 1.00 0.00 C ATOM 911 O ASP A 58 -1.212 12.328 -1.246 1.00 0.00 O ATOM 912 CB ASP A 58 -3.524 11.953 -2.870 1.00 0.00 C ATOM 913 CG ASP A 58 -4.673 11.563 -3.795 1.00 0.00 C ATOM 914 OD1 ASP A 58 -4.390 11.317 -4.996 1.00 0.00 O ATOM 915 OD2 ASP A 58 -5.845 11.556 -3.352 1.00 0.00 O ATOM 0 H ASP A 58 -3.034 9.012 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.975 10.918 -3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.919 12.128 -1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.097 12.895 -3.213 1.00 0.00 H new ATOM 920 N ALA A 59 -0.296 10.319 -1.764 1.00 0.00 N ATOM 921 CA ALA A 59 0.927 10.341 -0.969 1.00 0.00 C ATOM 922 C ALA A 59 0.695 10.269 0.547 1.00 0.00 C ATOM 923 O ALA A 59 1.663 10.242 1.305 1.00 0.00 O ATOM 924 CB ALA A 59 1.787 11.542 -1.368 1.00 0.00 C ATOM 0 H ALA A 59 -0.374 9.451 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 59 1.469 9.424 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.698 11.552 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.047 11.469 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.229 12.462 -1.194 1.00 0.00 H new ATOM 930 N GLN A 60 -0.552 10.198 1.010 1.00 0.00 N ATOM 931 CA GLN A 60 -0.897 10.089 2.424 1.00 0.00 C ATOM 932 C GLN A 60 -0.577 8.670 2.854 1.00 0.00 C ATOM 933 O GLN A 60 -1.242 7.744 2.390 1.00 0.00 O ATOM 934 CB GLN A 60 -2.389 10.381 2.657 1.00 0.00 C ATOM 935 CG GLN A 60 -2.752 11.760 2.111 1.00 0.00 C ATOM 936 CD GLN A 60 -4.245 12.014 2.091 1.00 0.00 C ATOM 937 OE1 GLN A 60 -4.802 12.572 3.037 1.00 0.00 O ATOM 938 NE2 GLN A 60 -4.883 11.648 0.995 1.00 0.00 N ATOM 0 H GLN A 60 -1.368 10.215 0.398 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.330 10.817 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.996 9.618 2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.613 10.334 3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.267 12.524 2.718 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.358 11.859 1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.376 11.188 0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.883 11.825 0.904 1.00 0.00 H new ATOM 947 N HIS A 61 0.455 8.464 3.671 1.00 0.00 N ATOM 948 CA HIS A 61 0.779 7.133 4.159 1.00 0.00 C ATOM 949 C HIS A 61 -0.374 6.634 5.020 1.00 0.00 C ATOM 950 O HIS A 61 -0.622 7.180 6.093 1.00 0.00 O ATOM 951 CB HIS A 61 2.077 7.143 4.971 1.00 0.00 C ATOM 952 CG HIS A 61 2.449 5.772 5.483 1.00 0.00 C ATOM 953 ND1 HIS A 61 2.957 5.504 6.741 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.274 4.577 4.827 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.097 4.170 6.836 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.699 3.591 5.692 1.00 0.00 N ATOM 0 H HIS A 61 1.076 9.201 4.005 1.00 0.00 H new ATOM 0 HA HIS A 61 0.927 6.468 3.308 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.887 7.528 4.351 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.969 7.825 5.814 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.881 4.438 3.831 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.473 3.644 7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.709 2.590 5.496 1.00 0.00 H new ATOM 965 N ILE A 62 -1.064 5.600 4.561 1.00 0.00 N ATOM 966 CA ILE A 62 -2.168 4.984 5.266 1.00 0.00 C ATOM 967 C ILE A 62 -1.610 4.097 6.381 1.00 0.00 C ATOM 968 O ILE A 62 -1.980 4.258 7.547 1.00 0.00 O ATOM 969 CB ILE A 62 -3.022 4.213 4.237 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.387 5.072 3.004 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.280 3.627 4.884 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.051 6.427 3.299 1.00 0.00 C ATOM 0 H ILE A 62 -0.863 5.158 3.664 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.814 5.720 5.744 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.404 3.389 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.478 5.253 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.056 4.493 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.859 3.090 4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.993 2.940 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.884 4.433 5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.261 6.941 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.983 6.265 3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.380 7.037 3.904 1.00 0.00 H new ATOM 984 N GLY A 63 -0.725 3.161 6.026 1.00 0.00 N ATOM 985 CA GLY A 63 -0.224 2.126 6.915 1.00 0.00 C ATOM 986 C GLY A 63 0.065 0.862 6.115 1.00 0.00 C ATOM 987 O GLY A 63 0.505 0.962 4.967 1.00 0.00 O ATOM 0 H GLY A 63 -0.331 3.107 5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.683 2.468 7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.956 1.916 7.694 1.00 0.00 H new ATOM 991 N GLY A 64 -0.173 -0.295 6.730 1.00 0.00 N ATOM 992 CA GLY A 64 -0.073 -1.634 6.166 1.00 0.00 C ATOM 993 C GLY A 64 -1.468 -2.174 5.833 1.00 0.00 C ATOM 994 O GLY A 64 -2.422 -1.400 5.720 1.00 0.00 O ATOM 0 H GLY A 64 -0.462 -0.319 7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.541 -1.612 5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.423 -2.298 6.874 1.00 0.00 H new ATOM 998 N TYR A 65 -1.602 -3.493 5.623 1.00 0.00 N ATOM 999 CA TYR A 65 -2.866 -4.081 5.162 1.00 0.00 C ATOM 1000 C TYR A 65 -4.021 -3.759 6.100 1.00 0.00 C ATOM 1001 O TYR A 65 -5.083 -3.374 5.628 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.773 -5.603 4.924 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.094 -6.361 4.961 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.144 -6.019 4.087 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.283 -7.404 5.889 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.353 -6.736 4.101 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.501 -8.104 5.931 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.535 -7.786 5.027 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.673 -8.529 5.024 1.00 0.00 O ATOM 0 H TYR A 65 -0.852 -4.169 5.765 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.068 -3.616 4.197 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.306 -5.772 3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.110 -6.030 5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.019 -5.197 3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.488 -7.667 6.571 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.140 -6.484 3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.645 -8.889 6.659 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.366 -8.068 5.541 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.838 -3.935 7.404 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.939 -3.840 8.363 1.00 0.00 C ATOM 1021 C ASP A 66 -5.491 -2.408 8.386 1.00 0.00 C ATOM 1022 O ASP A 66 -6.693 -2.196 8.503 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.395 -4.248 9.730 1.00 0.00 C ATOM 1024 CG ASP A 66 -5.307 -3.915 10.899 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.401 -4.518 10.941 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.846 -3.268 11.872 1.00 0.00 O ATOM 0 H ASP A 66 -2.933 -4.145 7.826 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.761 -4.499 8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.208 -5.322 9.726 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.434 -3.758 9.885 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.609 -1.429 8.181 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.907 0.003 8.154 1.00 0.00 C ATOM 1033 C ASP A 67 -5.736 0.364 6.924 1.00 0.00 C ATOM 1034 O ASP A 67 -6.707 1.119 6.994 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.592 0.781 8.088 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.677 0.474 9.264 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -2.879 0.974 10.390 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.718 -0.300 9.062 1.00 0.00 O ATOM 0 H ASP A 67 -3.620 -1.623 8.022 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.470 0.256 9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.077 0.540 7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.806 1.850 8.067 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.332 -0.180 5.778 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.084 -0.146 4.526 1.00 0.00 C ATOM 1045 C LEU A 68 -7.458 -0.754 4.735 1.00 0.00 C ATOM 1046 O LEU A 68 -8.478 -0.196 4.340 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.345 -0.990 3.467 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.614 -0.609 2.005 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -4.933 -1.653 1.110 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -7.081 -0.484 1.608 1.00 0.00 C ATOM 0 H LEU A 68 -4.443 -0.673 5.693 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.178 0.889 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.273 -0.914 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.619 -2.036 3.607 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.208 0.394 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.109 -1.405 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.861 -1.657 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.345 -2.639 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.151 -0.211 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.584 -1.437 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.558 0.286 2.215 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.482 -1.946 5.308 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.677 -2.731 5.376 1.00 0.00 C ATOM 1064 C TYR A 69 -9.679 -2.033 6.304 1.00 0.00 C ATOM 1065 O TYR A 69 -10.884 -2.099 6.062 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.257 -4.133 5.824 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.315 -5.206 5.829 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.341 -5.208 4.866 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.188 -6.289 6.716 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.270 -6.255 4.820 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -10.110 -7.345 6.671 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.188 -7.304 5.760 1.00 0.00 C ATOM 1073 OH TYR A 69 -12.125 -8.290 5.766 1.00 0.00 O ATOM 0 H TYR A 69 -6.667 -2.386 5.736 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.190 -2.829 4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.445 -4.464 5.177 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.850 -4.057 6.832 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.413 -4.396 4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.380 -6.308 7.432 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.046 -6.259 4.068 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.995 -8.190 7.334 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.918 -8.933 6.476 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.180 -1.299 7.306 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.947 -0.394 8.140 1.00 0.00 C ATOM 1085 C ALA A 70 -10.463 0.823 7.359 1.00 0.00 C ATOM 1086 O ALA A 70 -11.605 1.223 7.585 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.090 0.057 9.322 1.00 0.00 C ATOM 0 H ALA A 70 -8.192 -1.327 7.560 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.823 -0.933 8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.665 0.737 9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.792 -0.812 9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.201 0.568 8.953 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.684 1.442 6.457 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.204 2.485 5.571 1.00 0.00 C ATOM 1095 C LEU A 71 -11.394 1.956 4.769 1.00 0.00 C ATOM 1096 O LEU A 71 -12.439 2.603 4.671 1.00 0.00 O ATOM 1097 CB LEU A 71 -9.075 2.987 4.661 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.515 4.018 3.609 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -10.199 5.242 4.218 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -8.293 4.464 2.806 1.00 0.00 C ATOM 0 H LEU A 71 -8.694 1.235 6.326 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.564 3.328 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.295 3.429 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.630 2.133 4.150 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.250 3.532 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.485 5.932 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.089 4.928 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.511 5.741 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.597 5.196 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.561 4.914 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.849 3.601 2.310 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.253 0.753 4.216 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.328 0.077 3.507 1.00 0.00 C ATOM 1114 C ASP A 72 -13.519 -0.228 4.421 1.00 0.00 C ATOM 1115 O ASP A 72 -14.661 -0.085 3.991 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.797 -1.170 2.798 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.945 -1.934 2.150 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.575 -1.381 1.225 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.244 -3.061 2.605 1.00 0.00 O ATOM 0 H ASP A 72 -10.384 0.220 4.250 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.709 0.754 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.067 -0.884 2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.281 -1.811 3.512 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.269 -0.539 5.697 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.295 -0.775 6.716 1.00 0.00 C ATOM 1126 C ALA A 73 -15.014 0.517 7.122 1.00 0.00 C ATOM 1127 O ALA A 73 -16.068 0.463 7.756 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.691 -1.444 7.956 1.00 0.00 C ATOM 0 H ALA A 73 -12.320 -0.636 6.059 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.032 -1.443 6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.473 -1.609 8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.250 -2.400 7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.920 -0.799 8.378 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.463 1.688 6.792 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.142 2.979 6.898 1.00 0.00 C ATOM 1136 C ARG A 74 -15.998 3.256 5.665 1.00 0.00 C ATOM 1137 O ARG A 74 -16.665 4.293 5.629 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.108 4.116 7.065 1.00 0.00 C ATOM 1139 CG ARG A 74 -14.511 5.152 8.129 1.00 0.00 C ATOM 1140 CD ARG A 74 -14.295 4.666 9.565 1.00 0.00 C ATOM 1141 NE ARG A 74 -13.364 5.524 10.319 1.00 0.00 N ATOM 1142 CZ ARG A 74 -12.890 5.245 11.539 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -13.228 4.124 12.163 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -12.081 6.092 12.155 1.00 0.00 N ATOM 0 H ARG A 74 -13.510 1.765 6.436 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.791 2.940 7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.144 3.685 7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.975 4.621 6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.936 6.065 7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.562 5.410 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.254 4.634 10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.909 3.647 9.546 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.059 6.393 9.880 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.858 3.460 11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.858 3.926 13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.814 6.965 11.700 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.724 5.872 13.085 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.950 2.400 4.641 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.533 2.707 3.343 1.00 0.00 C ATOM 1160 C GLY A 75 -15.720 3.818 2.664 1.00 0.00 C ATOM 1161 O GLY A 75 -16.205 4.464 1.739 1.00 0.00 O ATOM 0 H GLY A 75 -15.508 1.482 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.542 1.815 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.569 3.023 3.464 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.498 4.092 3.144 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.689 5.235 2.747 1.00 0.00 C ATOM 1167 C GLY A 76 -12.659 4.889 1.685 1.00 0.00 C ATOM 1168 O GLY A 76 -12.051 5.799 1.125 1.00 0.00 O ATOM 0 H GLY A 76 -14.040 3.502 3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.342 6.023 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.180 5.635 3.624 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.471 3.603 1.380 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.556 3.179 0.331 1.00 0.00 C ATOM 1174 C LEU A 77 -12.163 3.476 -1.037 1.00 0.00 C ATOM 1175 O LEU A 77 -11.495 4.044 -1.894 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.264 1.679 0.483 1.00 0.00 C ATOM 1177 CG LEU A 77 -10.280 1.161 -0.579 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.903 1.821 -0.404 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -10.150 -0.362 -0.498 1.00 0.00 C ATOM 0 H LEU A 77 -12.948 2.835 1.853 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.619 3.729 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.855 1.490 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.198 1.121 0.412 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.671 1.423 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.219 1.443 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.001 2.901 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.511 1.587 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.449 -0.708 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.784 -0.644 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.125 -0.820 -0.668 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.428 3.096 -1.227 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.168 3.246 -2.481 1.00 0.00 C ATOM 1193 C ASP A 78 -14.103 4.679 -3.023 1.00 0.00 C ATOM 1194 O ASP A 78 -13.655 4.840 -4.150 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.629 2.805 -2.314 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.923 1.435 -2.919 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -15.531 1.140 -4.072 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.610 0.655 -2.225 1.00 0.00 O ATOM 0 H ASP A 78 -13.983 2.662 -0.489 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.686 2.596 -3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.875 2.785 -1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.280 3.546 -2.779 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.472 5.744 -2.281 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.450 7.110 -2.805 1.00 0.00 C ATOM 1205 C PRO A 79 -13.038 7.659 -3.050 1.00 0.00 C ATOM 1206 O PRO A 79 -12.909 8.799 -3.503 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.212 7.951 -1.777 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.989 7.205 -0.472 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.983 5.748 -0.920 1.00 0.00 C ATOM 0 HA PRO A 79 -14.912 7.140 -3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.827 8.970 -1.728 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.272 8.022 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.049 7.488 0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.781 7.404 0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.355 5.142 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.986 5.324 -0.880 1.00 0.00 H new ATOM 1217 N LEU A 80 -11.985 6.897 -2.742 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.599 7.214 -3.079 1.00 0.00 C ATOM 1219 C LEU A 80 -10.075 6.311 -4.201 1.00 0.00 C ATOM 1220 O LEU A 80 -8.946 6.488 -4.652 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.730 7.089 -1.815 1.00 0.00 C ATOM 1222 CG LEU A 80 -9.959 8.230 -0.804 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.364 7.881 0.566 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -9.369 9.561 -1.298 1.00 0.00 C ATOM 0 H LEU A 80 -12.079 6.016 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.551 8.238 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.940 6.136 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.679 7.075 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.038 8.350 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.540 8.703 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.837 6.976 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.291 7.715 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.552 10.338 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.295 9.449 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.840 9.841 -2.240 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.859 5.347 -4.680 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.475 4.394 -5.719 1.00 0.00 C ATOM 1238 C LEU A 81 -11.606 4.183 -6.724 1.00 0.00 C ATOM 1239 O LEU A 81 -11.627 3.189 -7.460 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.040 3.083 -5.054 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.592 3.137 -4.545 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.266 1.882 -3.740 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.599 3.251 -5.711 1.00 0.00 C ATOM 0 H LEU A 81 -11.811 5.203 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.635 4.792 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.707 2.863 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.141 2.266 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.499 4.019 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.237 1.934 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.940 1.812 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.388 1.002 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.582 3.287 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.706 2.386 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.804 4.161 -6.275 1.00 0.00 H new