USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 551 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 56 HIS :FLIP no HE2:sc= -19.9! C(o=-25!,f=-22!) USER MOD Set 1.2: A 58 TYR OH : rot 123:sc= -1.96! USER MOD Set 2.1: A 14 HIS : no HE2:sc= -4.13 K(o=-5.1,f=-8.6!) USER MOD Set 2.2: A 21 GLN : amide:sc= -0.969 K(o=-5.1,f=-9.5!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 58:sc= 1.25 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -12.9! C(o=-15!,f=-13!) USER MOD Single : A 34 THR OG1 : rot -27:sc= 0.0384 USER MOD Single : A 36 THR OG1 : rot -82:sc= 1.51 USER MOD Single : A 44 SER OG : rot -120:sc= -0.307 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 15:sc= -0.44 USER MOD Single : A 65 HIS : no HE2:sc= -0.123 K(o=-0.12,f=-4.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.934 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 110:sc= -1.51 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -5.235 9.714 -9.196 1.00 0.00 N ATOM 2 CA ALA A 8 -4.426 9.489 -10.424 1.00 0.00 C ATOM 3 C ALA A 8 -4.941 8.248 -11.151 1.00 0.00 C ATOM 4 O ALA A 8 -5.890 7.616 -10.732 1.00 0.00 O ATOM 5 CB ALA A 8 -2.964 9.293 -10.027 1.00 0.00 C ATOM 0 HA ALA A 8 -4.509 10.349 -11.088 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.363 9.127 -10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.605 10.182 -9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.879 8.429 -9.367 1.00 0.00 H new ATOM 11 N THR A 9 -4.321 7.893 -12.238 1.00 0.00 N ATOM 12 CA THR A 9 -4.761 6.701 -12.993 1.00 0.00 C ATOM 13 C THR A 9 -4.058 5.492 -12.410 1.00 0.00 C ATOM 14 O THR A 9 -2.901 5.564 -12.018 1.00 0.00 O ATOM 15 CB THR A 9 -4.412 6.864 -14.472 1.00 0.00 C ATOM 16 OG1 THR A 9 -5.464 6.333 -15.264 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.110 6.127 -14.794 1.00 0.00 C ATOM 0 H THR A 9 -3.521 8.385 -12.636 1.00 0.00 H new ATOM 0 HA THR A 9 -5.841 6.575 -12.914 1.00 0.00 H new ATOM 0 HB THR A 9 -4.281 7.924 -14.692 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.244 6.438 -16.213 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.873 6.251 -15.851 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.301 6.537 -14.190 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.227 5.067 -14.571 1.00 0.00 H new ATOM 25 N LEU A 10 -4.770 4.405 -12.319 1.00 0.00 N ATOM 26 CA LEU A 10 -4.213 3.163 -11.725 1.00 0.00 C ATOM 27 C LEU A 10 -3.715 2.234 -12.829 1.00 0.00 C ATOM 28 O LEU A 10 -4.472 1.458 -13.378 1.00 0.00 O ATOM 29 CB LEU A 10 -5.326 2.439 -10.957 1.00 0.00 C ATOM 30 CG LEU A 10 -5.754 3.251 -9.730 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.303 4.618 -10.155 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.843 2.489 -8.977 1.00 0.00 C ATOM 0 H LEU A 10 -5.735 4.326 -12.639 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.388 3.423 -11.062 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.183 2.281 -11.612 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.978 1.455 -10.644 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.886 3.401 -9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.602 5.181 -9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.531 5.169 -10.692 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.167 4.477 -10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.151 3.063 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.701 2.338 -9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.456 1.522 -8.658 1.00 0.00 H new ATOM 44 N VAL A 11 -2.457 2.282 -13.154 1.00 0.00 N ATOM 45 CA VAL A 11 -1.944 1.372 -14.209 1.00 0.00 C ATOM 46 C VAL A 11 -1.102 0.285 -13.546 1.00 0.00 C ATOM 47 O VAL A 11 -0.088 0.560 -12.946 1.00 0.00 O ATOM 48 CB VAL A 11 -1.102 2.158 -15.209 1.00 0.00 C ATOM 49 CG1 VAL A 11 -0.679 1.226 -16.349 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.938 3.306 -15.780 1.00 0.00 C ATOM 0 H VAL A 11 -1.766 2.907 -12.738 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.776 0.916 -14.746 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.218 2.560 -14.713 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.077 1.781 -17.068 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.093 0.400 -15.945 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.566 0.833 -16.846 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.340 3.871 -16.495 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.817 2.901 -16.281 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.253 3.965 -14.970 1.00 0.00 H new ATOM 60 N GLY A 12 -1.521 -0.947 -13.634 1.00 0.00 N ATOM 61 CA GLY A 12 -0.744 -2.047 -12.992 1.00 0.00 C ATOM 62 C GLY A 12 -0.343 -3.082 -14.048 1.00 0.00 C ATOM 63 O GLY A 12 -0.876 -4.174 -14.077 1.00 0.00 O ATOM 0 H GLY A 12 -2.367 -1.241 -14.122 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.146 -1.643 -12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.342 -2.521 -12.213 1.00 0.00 H new ATOM 67 N PRO A 13 0.587 -2.701 -14.886 1.00 0.00 N ATOM 68 CA PRO A 13 1.095 -3.566 -15.969 1.00 0.00 C ATOM 69 C PRO A 13 2.002 -4.686 -15.435 1.00 0.00 C ATOM 70 O PRO A 13 2.674 -4.544 -14.423 1.00 0.00 O ATOM 71 CB PRO A 13 1.889 -2.604 -16.856 1.00 0.00 C ATOM 72 CG PRO A 13 2.260 -1.400 -15.963 1.00 0.00 C ATOM 73 CD PRO A 13 1.217 -1.367 -14.833 1.00 0.00 C ATOM 0 HA PRO A 13 0.290 -4.077 -16.497 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.783 -3.086 -17.250 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.295 -2.285 -17.713 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.267 -1.510 -15.560 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.244 -0.472 -16.534 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.684 -1.185 -13.865 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.485 -0.574 -14.989 1.00 0.00 H new ATOM 81 N HIS A 14 2.011 -5.792 -16.145 1.00 0.00 N ATOM 82 CA HIS A 14 2.845 -6.978 -15.775 1.00 0.00 C ATOM 83 C HIS A 14 2.146 -8.246 -16.260 1.00 0.00 C ATOM 84 O HIS A 14 2.768 -9.180 -16.730 1.00 0.00 O ATOM 85 CB HIS A 14 3.038 -7.072 -14.261 1.00 0.00 C ATOM 86 CG HIS A 14 3.580 -8.429 -13.917 1.00 0.00 C ATOM 87 ND1 HIS A 14 2.758 -9.512 -13.657 1.00 0.00 N ATOM 88 CD2 HIS A 14 4.866 -8.896 -13.806 1.00 0.00 C ATOM 89 CE1 HIS A 14 3.549 -10.568 -13.405 1.00 0.00 C ATOM 90 NE2 HIS A 14 4.843 -10.248 -13.483 1.00 0.00 N ATOM 0 H HIS A 14 1.457 -5.922 -16.991 1.00 0.00 H new ATOM 0 HA HIS A 14 3.823 -6.869 -16.243 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.724 -6.296 -13.921 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.090 -6.906 -13.750 1.00 0.00 H new ATOM 0 HD1 HIS A 14 1.738 -9.509 -13.657 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.758 -8.304 -13.948 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.183 -11.556 -13.168 1.00 0.00 H new ATOM 98 N GLY A 15 0.855 -8.282 -16.131 1.00 0.00 N ATOM 99 CA GLY A 15 0.080 -9.482 -16.558 1.00 0.00 C ATOM 100 C GLY A 15 -0.586 -10.093 -15.325 1.00 0.00 C ATOM 101 O GLY A 15 -1.014 -9.378 -14.441 1.00 0.00 O ATOM 0 H GLY A 15 0.293 -7.524 -15.744 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.672 -9.204 -17.296 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.739 -10.209 -17.032 1.00 0.00 H new ATOM 105 N PRO A 16 -0.643 -11.397 -15.293 1.00 0.00 N ATOM 106 CA PRO A 16 -1.240 -12.130 -14.167 1.00 0.00 C ATOM 107 C PRO A 16 -0.260 -12.164 -12.994 1.00 0.00 C ATOM 108 O PRO A 16 0.940 -12.164 -13.176 1.00 0.00 O ATOM 109 CB PRO A 16 -1.469 -13.531 -14.729 1.00 0.00 C ATOM 110 CG PRO A 16 -0.495 -13.685 -15.923 1.00 0.00 C ATOM 111 CD PRO A 16 -0.119 -12.258 -16.370 1.00 0.00 C ATOM 0 HA PRO A 16 -2.158 -11.678 -13.792 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.278 -14.290 -13.971 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.503 -13.656 -15.052 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.392 -14.246 -15.630 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.965 -14.235 -16.738 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.959 -12.146 -16.482 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.567 -12.010 -17.333 1.00 0.00 H new ATOM 119 N LEU A 17 -0.759 -12.187 -11.793 1.00 0.00 N ATOM 120 CA LEU A 17 0.148 -12.216 -10.613 1.00 0.00 C ATOM 121 C LEU A 17 0.148 -13.620 -10.014 1.00 0.00 C ATOM 122 O LEU A 17 -0.803 -14.035 -9.387 1.00 0.00 O ATOM 123 CB LEU A 17 -0.341 -11.213 -9.560 1.00 0.00 C ATOM 124 CG LEU A 17 0.269 -9.830 -9.825 1.00 0.00 C ATOM 125 CD1 LEU A 17 1.777 -9.871 -9.575 1.00 0.00 C ATOM 126 CD2 LEU A 17 0.008 -9.419 -11.275 1.00 0.00 C ATOM 0 H LEU A 17 -1.756 -12.187 -11.576 1.00 0.00 H new ATOM 0 HA LEU A 17 1.158 -11.948 -10.924 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.429 -11.150 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.064 -11.556 -8.563 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.190 -9.105 -9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.204 -8.886 -9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.967 -10.155 -8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.237 -10.601 -10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.443 -8.436 -11.459 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.461 -10.148 -11.947 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.066 -9.379 -11.454 1.00 0.00 H new ATOM 138 N ALA A 18 1.204 -14.358 -10.197 1.00 0.00 N ATOM 139 CA ALA A 18 1.253 -15.731 -9.628 1.00 0.00 C ATOM 140 C ALA A 18 1.926 -15.675 -8.256 1.00 0.00 C ATOM 141 O ALA A 18 2.494 -14.672 -7.878 1.00 0.00 O ATOM 142 CB ALA A 18 2.057 -16.645 -10.554 1.00 0.00 C ATOM 0 H ALA A 18 2.034 -14.071 -10.715 1.00 0.00 H new ATOM 0 HA ALA A 18 0.241 -16.124 -9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.091 -17.650 -10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.583 -16.678 -11.535 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.072 -16.260 -10.654 1.00 0.00 H new ATOM 148 N SER A 19 1.859 -16.740 -7.507 1.00 0.00 N ATOM 149 CA SER A 19 2.495 -16.749 -6.160 1.00 0.00 C ATOM 150 C SER A 19 3.977 -16.406 -6.306 1.00 0.00 C ATOM 151 O SER A 19 4.716 -17.078 -6.997 1.00 0.00 O ATOM 152 CB SER A 19 2.346 -18.138 -5.540 1.00 0.00 C ATOM 153 OG SER A 19 3.114 -18.212 -4.344 1.00 0.00 O ATOM 0 H SER A 19 1.390 -17.607 -7.770 1.00 0.00 H new ATOM 0 HA SER A 19 2.012 -16.014 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.297 -18.340 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.678 -18.900 -6.245 1.00 0.00 H new ATOM 0 HG SER A 19 2.822 -17.511 -3.724 1.00 0.00 H new ATOM 159 N GLY A 20 4.409 -15.356 -5.668 1.00 0.00 N ATOM 160 CA GLY A 20 5.839 -14.956 -5.777 1.00 0.00 C ATOM 161 C GLY A 20 6.037 -14.199 -7.089 1.00 0.00 C ATOM 162 O GLY A 20 6.980 -14.433 -7.817 1.00 0.00 O ATOM 0 H GLY A 20 3.834 -14.757 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.121 -14.328 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.481 -15.836 -5.748 1.00 0.00 H new ATOM 166 N GLN A 21 5.140 -13.305 -7.401 1.00 0.00 N ATOM 167 CA GLN A 21 5.255 -12.544 -8.675 1.00 0.00 C ATOM 168 C GLN A 21 5.526 -11.063 -8.398 1.00 0.00 C ATOM 169 O GLN A 21 5.066 -10.502 -7.419 1.00 0.00 O ATOM 170 CB GLN A 21 3.945 -12.680 -9.448 1.00 0.00 C ATOM 171 CG GLN A 21 4.145 -12.215 -10.887 1.00 0.00 C ATOM 172 CD GLN A 21 4.594 -13.398 -11.746 1.00 0.00 C ATOM 173 OE1 GLN A 21 4.129 -14.505 -11.565 1.00 0.00 O ATOM 174 NE2 GLN A 21 5.486 -13.209 -12.678 1.00 0.00 N ATOM 0 H GLN A 21 4.331 -13.069 -6.827 1.00 0.00 H new ATOM 0 HA GLN A 21 6.085 -12.946 -9.256 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.610 -13.717 -9.434 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.166 -12.087 -8.969 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.217 -11.799 -11.279 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.891 -11.421 -10.924 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.876 -12.279 -12.829 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.794 -13.991 -13.256 1.00 0.00 H new ATOM 183 N LEU A 22 6.267 -10.429 -9.270 1.00 0.00 N ATOM 184 CA LEU A 22 6.580 -8.985 -9.096 1.00 0.00 C ATOM 185 C LEU A 22 5.804 -8.176 -10.138 1.00 0.00 C ATOM 186 O LEU A 22 6.238 -8.021 -11.261 1.00 0.00 O ATOM 187 CB LEU A 22 8.084 -8.767 -9.303 1.00 0.00 C ATOM 188 CG LEU A 22 8.523 -7.414 -8.719 1.00 0.00 C ATOM 189 CD1 LEU A 22 7.913 -6.261 -9.523 1.00 0.00 C ATOM 190 CD2 LEU A 22 8.066 -7.308 -7.263 1.00 0.00 C ATOM 0 H LEU A 22 6.671 -10.858 -10.103 1.00 0.00 H new ATOM 0 HA LEU A 22 6.297 -8.663 -8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.642 -9.573 -8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.319 -8.803 -10.367 1.00 0.00 H new ATOM 0 HG LEU A 22 9.610 -7.350 -8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.234 -5.310 -9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.245 -6.324 -10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.826 -6.327 -9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.379 -6.348 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.980 -7.386 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.513 -8.114 -6.682 1.00 0.00 H new ATOM 202 N ALA A 23 4.670 -7.645 -9.777 1.00 0.00 N ATOM 203 CA ALA A 23 3.896 -6.830 -10.754 1.00 0.00 C ATOM 204 C ALA A 23 4.539 -5.447 -10.820 1.00 0.00 C ATOM 205 O ALA A 23 5.196 -5.031 -9.893 1.00 0.00 O ATOM 206 CB ALA A 23 2.446 -6.700 -10.290 1.00 0.00 C ATOM 0 H ALA A 23 4.247 -7.739 -8.853 1.00 0.00 H new ATOM 0 HA ALA A 23 3.905 -7.305 -11.735 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.886 -6.103 -11.009 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.998 -7.691 -10.214 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.418 -6.214 -9.315 1.00 0.00 H new ATOM 212 N ALA A 24 4.366 -4.718 -11.885 1.00 0.00 N ATOM 213 CA ALA A 24 4.992 -3.372 -11.937 1.00 0.00 C ATOM 214 C ALA A 24 3.890 -2.342 -12.146 1.00 0.00 C ATOM 215 O ALA A 24 3.280 -2.275 -13.186 1.00 0.00 O ATOM 216 CB ALA A 24 6.014 -3.334 -13.070 1.00 0.00 C ATOM 0 H ALA A 24 3.828 -4.990 -12.708 1.00 0.00 H new ATOM 0 HA ALA A 24 5.515 -3.147 -11.008 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.475 -2.347 -13.111 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.782 -4.087 -12.892 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.515 -3.541 -14.017 1.00 0.00 H new ATOM 222 N PHE A 25 3.605 -1.574 -11.133 1.00 0.00 N ATOM 223 CA PHE A 25 2.503 -0.578 -11.220 1.00 0.00 C ATOM 224 C PHE A 25 3.026 0.808 -11.611 1.00 0.00 C ATOM 225 O PHE A 25 4.205 1.096 -11.544 1.00 0.00 O ATOM 226 CB PHE A 25 1.845 -0.453 -9.844 1.00 0.00 C ATOM 227 CG PHE A 25 1.137 -1.728 -9.440 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.831 -2.948 -9.366 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.223 -1.680 -9.109 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.157 -4.107 -8.967 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.890 -2.841 -8.707 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.201 -4.055 -8.638 1.00 0.00 C ATOM 0 H PHE A 25 4.094 -1.594 -10.238 1.00 0.00 H new ATOM 0 HA PHE A 25 1.799 -0.920 -11.978 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.603 -0.207 -9.100 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.131 0.371 -9.856 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.881 -2.990 -9.616 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.758 -0.743 -9.164 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.688 -5.046 -8.913 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.938 -2.800 -8.450 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.717 -4.952 -8.331 1.00 0.00 H new ATOM 242 N HIS A 26 2.122 1.680 -11.975 1.00 0.00 N ATOM 243 CA HIS A 26 2.489 3.075 -12.334 1.00 0.00 C ATOM 244 C HIS A 26 1.225 3.940 -12.209 1.00 0.00 C ATOM 245 O HIS A 26 0.140 3.541 -12.598 1.00 0.00 O ATOM 246 CB HIS A 26 3.099 3.123 -13.750 1.00 0.00 C ATOM 247 CG HIS A 26 2.116 3.612 -14.778 1.00 0.00 C ATOM 248 ND1 HIS A 26 1.373 4.757 -14.864 1.00 0.00 N flip ATOM 249 CD2 HIS A 26 1.858 2.907 -15.942 1.00 0.00 C flip ATOM 250 CE1 HIS A 26 0.666 4.773 -16.061 1.00 0.00 C flip ATOM 251 NE2 HIS A 26 0.994 3.633 -16.673 1.00 0.00 N flip ATOM 0 H HIS A 26 1.125 1.476 -12.039 1.00 0.00 H new ATOM 0 HA HIS A 26 3.252 3.465 -11.660 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.972 3.776 -13.745 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.447 2.128 -14.027 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.275 1.948 -16.213 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.004 5.541 -16.418 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.633 3.348 -17.583 1.00 0.00 H new ATOM 259 N ILE A 27 1.352 5.099 -11.620 1.00 0.00 N ATOM 260 CA ILE A 27 0.165 5.988 -11.411 1.00 0.00 C ATOM 261 C ILE A 27 0.263 7.199 -12.341 1.00 0.00 C ATOM 262 O ILE A 27 1.342 7.596 -12.728 1.00 0.00 O ATOM 263 CB ILE A 27 0.164 6.439 -9.946 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.654 5.285 -9.083 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.247 6.809 -9.500 1.00 0.00 C ATOM 266 CD1 ILE A 27 -0.221 4.063 -9.357 1.00 0.00 C ATOM 0 H ILE A 27 2.234 5.474 -11.271 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.760 5.456 -11.636 1.00 0.00 H new ATOM 0 HB ILE A 27 0.812 7.310 -9.842 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.697 5.061 -9.308 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.606 5.555 -8.028 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.228 7.127 -8.457 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.623 7.623 -10.120 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.900 5.942 -9.603 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.119 3.228 -8.745 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.257 4.295 -9.111 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.150 3.793 -10.411 1.00 0.00 H new ATOM 278 N ALA A 28 -0.847 7.778 -12.733 1.00 0.00 N ATOM 279 CA ALA A 28 -0.751 8.950 -13.674 1.00 0.00 C ATOM 280 C ALA A 28 -1.696 10.104 -13.297 1.00 0.00 C ATOM 281 O ALA A 28 -2.855 9.910 -13.026 1.00 0.00 O ATOM 282 CB ALA A 28 -1.120 8.483 -15.076 1.00 0.00 C ATOM 0 H ALA A 28 -1.790 7.505 -12.455 1.00 0.00 H new ATOM 0 HA ALA A 28 0.272 9.322 -13.618 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.055 9.323 -15.768 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.432 7.699 -15.391 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.138 8.093 -15.074 1.00 0.00 H new ATOM 288 N ALA A 29 -1.210 11.316 -13.346 1.00 0.00 N ATOM 289 CA ALA A 29 -2.078 12.501 -13.052 1.00 0.00 C ATOM 290 C ALA A 29 -1.208 13.766 -13.040 1.00 0.00 C ATOM 291 O ALA A 29 -1.283 14.559 -13.959 1.00 0.00 O ATOM 292 CB ALA A 29 -2.813 12.328 -11.719 1.00 0.00 C ATOM 0 H ALA A 29 -0.243 11.540 -13.578 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.837 12.592 -13.829 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.436 13.203 -11.531 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.441 11.438 -11.763 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.086 12.220 -10.914 1.00 0.00 H new ATOM 298 N PRO A 30 -0.383 13.922 -12.028 1.00 0.00 N ATOM 299 CA PRO A 30 0.518 15.080 -11.935 1.00 0.00 C ATOM 300 C PRO A 30 1.732 14.845 -12.838 1.00 0.00 C ATOM 301 O PRO A 30 2.806 14.558 -12.364 1.00 0.00 O ATOM 302 CB PRO A 30 0.917 15.113 -10.458 1.00 0.00 C ATOM 303 CG PRO A 30 0.689 13.683 -9.911 1.00 0.00 C ATOM 304 CD PRO A 30 -0.265 12.978 -10.894 1.00 0.00 C ATOM 0 HA PRO A 30 0.068 16.020 -12.254 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.959 15.411 -10.344 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.316 15.839 -9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.633 13.143 -9.834 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.258 13.716 -8.910 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.135 12.017 -11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.235 12.782 -10.436 1.00 0.00 H new ATOM 312 N LEU A 31 1.526 14.938 -14.136 1.00 0.00 N ATOM 313 CA LEU A 31 2.613 14.700 -15.160 1.00 0.00 C ATOM 314 C LEU A 31 4.023 14.678 -14.541 1.00 0.00 C ATOM 315 O LEU A 31 4.688 13.662 -14.594 1.00 0.00 O ATOM 316 CB LEU A 31 2.564 15.764 -16.273 1.00 0.00 C ATOM 317 CG LEU A 31 1.365 16.701 -16.086 1.00 0.00 C ATOM 318 CD1 LEU A 31 1.661 18.040 -16.765 1.00 0.00 C ATOM 319 CD2 LEU A 31 0.122 16.073 -16.725 1.00 0.00 C ATOM 0 H LEU A 31 0.622 15.176 -14.544 1.00 0.00 H new ATOM 0 HA LEU A 31 2.418 13.714 -15.582 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.487 16.344 -16.268 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.500 15.275 -17.245 1.00 0.00 H new ATOM 0 HG LEU A 31 1.187 16.859 -15.022 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.811 18.710 -16.635 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.548 18.487 -16.316 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.835 17.878 -17.829 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.731 16.739 -16.592 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.299 15.918 -17.789 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.088 15.115 -16.248 1.00 0.00 H new ATOM 331 N PRO A 32 4.454 15.787 -13.985 1.00 0.00 N ATOM 332 CA PRO A 32 5.793 15.883 -13.374 1.00 0.00 C ATOM 333 C PRO A 32 5.817 15.230 -11.984 1.00 0.00 C ATOM 334 O PRO A 32 6.051 15.888 -10.997 1.00 0.00 O ATOM 335 CB PRO A 32 6.025 17.394 -13.262 1.00 0.00 C ATOM 336 CG PRO A 32 4.625 18.052 -13.270 1.00 0.00 C ATOM 337 CD PRO A 32 3.663 17.035 -13.907 1.00 0.00 C ATOM 0 HA PRO A 32 6.559 15.371 -13.957 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.563 17.637 -12.346 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.630 17.757 -14.093 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.309 18.302 -12.257 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.638 18.982 -13.839 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.767 16.901 -13.301 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.335 17.361 -14.894 1.00 0.00 H new ATOM 345 N VAL A 33 5.588 13.944 -11.896 1.00 0.00 N ATOM 346 CA VAL A 33 5.612 13.274 -10.561 1.00 0.00 C ATOM 347 C VAL A 33 7.057 12.984 -10.158 1.00 0.00 C ATOM 348 O VAL A 33 7.906 12.735 -10.990 1.00 0.00 O ATOM 349 CB VAL A 33 4.839 11.960 -10.621 1.00 0.00 C ATOM 350 CG1 VAL A 33 4.874 11.291 -9.247 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.393 12.249 -11.001 1.00 0.00 C ATOM 0 H VAL A 33 5.386 13.332 -12.687 1.00 0.00 H new ATOM 0 HA VAL A 33 5.149 13.934 -9.828 1.00 0.00 H new ATOM 0 HB VAL A 33 5.291 11.300 -11.362 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.323 10.352 -9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.908 11.093 -8.965 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.416 11.950 -8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.835 11.314 -11.046 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.944 12.904 -10.254 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.363 12.736 -11.976 1.00 0.00 H new ATOM 361 N THR A 34 7.342 13.012 -8.884 1.00 0.00 N ATOM 362 CA THR A 34 8.734 12.736 -8.424 1.00 0.00 C ATOM 363 C THR A 34 8.762 11.531 -7.483 1.00 0.00 C ATOM 364 O THR A 34 9.800 10.943 -7.257 1.00 0.00 O ATOM 365 CB THR A 34 9.284 13.970 -7.702 1.00 0.00 C ATOM 366 OG1 THR A 34 10.619 13.721 -7.288 1.00 0.00 O ATOM 367 CG2 THR A 34 8.418 14.282 -6.478 1.00 0.00 C ATOM 0 H THR A 34 6.672 13.214 -8.142 1.00 0.00 H new ATOM 0 HA THR A 34 9.354 12.510 -9.292 1.00 0.00 H new ATOM 0 HB THR A 34 9.267 14.822 -8.381 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.746 12.758 -7.156 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.813 15.160 -5.967 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.394 14.477 -6.797 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.430 13.431 -5.797 1.00 0.00 H new ATOM 375 N ALA A 35 7.644 11.157 -6.928 1.00 0.00 N ATOM 376 CA ALA A 35 7.632 9.994 -6.005 1.00 0.00 C ATOM 377 C ALA A 35 6.203 9.692 -5.549 1.00 0.00 C ATOM 378 O ALA A 35 5.434 10.583 -5.239 1.00 0.00 O ATOM 379 CB ALA A 35 8.481 10.336 -4.788 1.00 0.00 C ATOM 0 H ALA A 35 6.740 11.607 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 35 8.030 9.119 -6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.484 9.492 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.502 10.549 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.066 11.212 -4.289 1.00 0.00 H new ATOM 385 N THR A 36 5.854 8.435 -5.475 1.00 0.00 N ATOM 386 CA THR A 36 4.489 8.066 -5.003 1.00 0.00 C ATOM 387 C THR A 36 4.624 7.063 -3.858 1.00 0.00 C ATOM 388 O THR A 36 5.382 6.116 -3.938 1.00 0.00 O ATOM 389 CB THR A 36 3.658 7.427 -6.123 1.00 0.00 C ATOM 390 OG1 THR A 36 2.919 6.340 -5.587 1.00 0.00 O ATOM 391 CG2 THR A 36 4.555 6.926 -7.251 1.00 0.00 C ATOM 0 H THR A 36 6.455 7.649 -5.721 1.00 0.00 H new ATOM 0 HA THR A 36 3.981 8.973 -4.676 1.00 0.00 H new ATOM 0 HB THR A 36 2.983 8.179 -6.532 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.494 5.548 -5.533 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.941 6.478 -8.032 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.118 7.762 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.248 6.180 -6.861 1.00 0.00 H new ATOM 399 N ARG A 37 3.896 7.258 -2.798 1.00 0.00 N ATOM 400 CA ARG A 37 3.976 6.310 -1.659 1.00 0.00 C ATOM 401 C ARG A 37 2.890 5.250 -1.826 1.00 0.00 C ATOM 402 O ARG A 37 1.717 5.543 -1.764 1.00 0.00 O ATOM 403 CB ARG A 37 3.764 7.061 -0.344 1.00 0.00 C ATOM 404 CG ARG A 37 5.026 6.948 0.512 1.00 0.00 C ATOM 405 CD ARG A 37 4.872 7.813 1.763 1.00 0.00 C ATOM 406 NE ARG A 37 5.444 9.163 1.504 1.00 0.00 N ATOM 407 CZ ARG A 37 5.697 9.965 2.501 1.00 0.00 C ATOM 408 NH1 ARG A 37 4.718 10.573 3.112 1.00 0.00 N ATOM 409 NH2 ARG A 37 6.929 10.155 2.888 1.00 0.00 N ATOM 0 H ARG A 37 3.248 8.035 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 37 4.958 5.837 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.538 8.109 -0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.910 6.647 0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.195 5.909 0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.896 7.269 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.819 7.898 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.381 7.346 2.606 1.00 0.00 H new ATOM 0 HE ARG A 37 5.638 9.460 0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.756 10.421 2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.915 11.200 3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.693 9.676 2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.128 10.782 3.668 1.00 0.00 H new ATOM 423 N TRP A 38 3.270 4.025 -2.045 1.00 0.00 N ATOM 424 CA TRP A 38 2.251 2.952 -2.229 1.00 0.00 C ATOM 425 C TRP A 38 2.073 2.181 -0.931 1.00 0.00 C ATOM 426 O TRP A 38 2.721 2.438 0.064 1.00 0.00 O ATOM 427 CB TRP A 38 2.712 1.950 -3.287 1.00 0.00 C ATOM 428 CG TRP A 38 3.032 2.630 -4.572 1.00 0.00 C ATOM 429 CD1 TRP A 38 3.939 3.615 -4.737 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.471 2.367 -5.882 1.00 0.00 C ATOM 431 NE1 TRP A 38 3.972 3.970 -6.070 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.084 3.229 -6.817 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.496 1.469 -6.341 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.746 3.199 -8.166 1.00 0.00 C ATOM 435 CZ3 TRP A 38 1.152 1.437 -7.697 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.776 2.301 -8.606 1.00 0.00 C ATOM 0 H TRP A 38 4.241 3.718 -2.105 1.00 0.00 H new ATOM 0 HA TRP A 38 1.319 3.428 -2.535 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.591 1.416 -2.927 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.932 1.206 -3.451 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.540 4.054 -3.954 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.580 4.693 -6.455 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.010 0.801 -5.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.230 3.865 -8.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.401 0.743 -8.045 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.504 2.271 -9.651 1.00 0.00 H new ATOM 447 N ASP A 39 1.221 1.206 -0.962 1.00 0.00 N ATOM 448 CA ASP A 39 1.009 0.347 0.224 1.00 0.00 C ATOM 449 C ASP A 39 0.596 -1.022 -0.299 1.00 0.00 C ATOM 450 O ASP A 39 -0.515 -1.211 -0.751 1.00 0.00 O ATOM 451 CB ASP A 39 -0.081 0.928 1.125 1.00 0.00 C ATOM 452 CG ASP A 39 0.508 1.213 2.507 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.474 0.322 3.339 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.987 2.317 2.710 1.00 0.00 O ATOM 0 H ASP A 39 0.652 0.964 -1.773 1.00 0.00 H new ATOM 0 HA ASP A 39 1.917 0.281 0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.479 1.845 0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.912 0.228 1.208 1.00 0.00 H new ATOM 459 N PHE A 40 1.491 -1.970 -0.292 1.00 0.00 N ATOM 460 CA PHE A 40 1.129 -3.304 -0.854 1.00 0.00 C ATOM 461 C PHE A 40 0.340 -4.125 0.163 1.00 0.00 C ATOM 462 O PHE A 40 -0.809 -4.454 -0.054 1.00 0.00 O ATOM 463 CB PHE A 40 2.381 -4.089 -1.269 1.00 0.00 C ATOM 464 CG PHE A 40 3.335 -3.231 -2.073 1.00 0.00 C ATOM 465 CD1 PHE A 40 2.899 -2.042 -2.677 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.666 -3.643 -2.230 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.790 -1.274 -3.432 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.553 -2.871 -2.985 1.00 0.00 C ATOM 469 CZ PHE A 40 5.116 -1.689 -3.585 1.00 0.00 C ATOM 0 H PHE A 40 2.440 -1.884 0.071 1.00 0.00 H new ATOM 0 HA PHE A 40 0.512 -3.127 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.888 -4.463 -0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.088 -4.958 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.875 -1.720 -2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.006 -4.558 -1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.454 -0.359 -3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.578 -3.189 -3.104 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.803 -1.094 -4.168 1.00 0.00 H new ATOM 479 N GLY A 41 0.947 -4.487 1.257 1.00 0.00 N ATOM 480 CA GLY A 41 0.222 -5.317 2.263 1.00 0.00 C ATOM 481 C GLY A 41 0.590 -6.796 2.061 1.00 0.00 C ATOM 482 O GLY A 41 0.111 -7.665 2.761 1.00 0.00 O ATOM 0 H GLY A 41 1.908 -4.247 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.486 -4.999 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.854 -5.180 2.157 1.00 0.00 H new ATOM 486 N ASP A 42 1.453 -7.081 1.117 1.00 0.00 N ATOM 487 CA ASP A 42 1.881 -8.489 0.863 1.00 0.00 C ATOM 488 C ASP A 42 3.183 -8.740 1.617 1.00 0.00 C ATOM 489 O ASP A 42 4.076 -9.411 1.139 1.00 0.00 O ATOM 490 CB ASP A 42 2.143 -8.658 -0.637 1.00 0.00 C ATOM 491 CG ASP A 42 3.055 -7.518 -1.144 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.854 -7.010 -0.362 1.00 0.00 O ATOM 493 OD2 ASP A 42 2.937 -7.166 -2.304 1.00 0.00 O ATOM 0 H ASP A 42 1.884 -6.388 0.505 1.00 0.00 H new ATOM 0 HA ASP A 42 1.110 -9.186 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.613 -9.623 -0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.200 -8.651 -1.183 1.00 0.00 H new ATOM 498 N GLY A 43 3.320 -8.147 2.761 1.00 0.00 N ATOM 499 CA GLY A 43 4.582 -8.273 3.517 1.00 0.00 C ATOM 500 C GLY A 43 5.238 -6.898 3.464 1.00 0.00 C ATOM 501 O GLY A 43 5.825 -6.433 4.419 1.00 0.00 O ATOM 0 H GLY A 43 2.603 -7.575 3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.392 -8.576 4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.228 -9.032 3.075 1.00 0.00 H new ATOM 505 N SER A 44 5.096 -6.228 2.341 1.00 0.00 N ATOM 506 CA SER A 44 5.661 -4.860 2.203 1.00 0.00 C ATOM 507 C SER A 44 4.504 -3.863 2.309 1.00 0.00 C ATOM 508 O SER A 44 3.830 -3.573 1.340 1.00 0.00 O ATOM 509 CB SER A 44 6.343 -4.718 0.841 1.00 0.00 C ATOM 510 OG SER A 44 7.280 -5.773 0.671 1.00 0.00 O ATOM 0 H SER A 44 4.610 -6.578 1.516 1.00 0.00 H new ATOM 0 HA SER A 44 6.399 -4.671 2.982 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.599 -4.745 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.847 -3.754 0.773 1.00 0.00 H new ATOM 0 HG SER A 44 8.176 -5.397 0.546 1.00 0.00 H new ATOM 516 N ALA A 45 4.252 -3.356 3.484 1.00 0.00 N ATOM 517 CA ALA A 45 3.125 -2.398 3.658 1.00 0.00 C ATOM 518 C ALA A 45 3.471 -1.056 3.007 1.00 0.00 C ATOM 519 O ALA A 45 3.280 -0.872 1.818 1.00 0.00 O ATOM 520 CB ALA A 45 2.845 -2.206 5.151 1.00 0.00 C ATOM 0 H ALA A 45 4.779 -3.564 4.332 1.00 0.00 H new ATOM 0 HA ALA A 45 2.233 -2.798 3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.020 -1.505 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.580 -3.164 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.736 -1.812 5.640 1.00 0.00 H new ATOM 526 N GLU A 46 3.969 -0.126 3.782 1.00 0.00 N ATOM 527 CA GLU A 46 4.331 1.221 3.240 1.00 0.00 C ATOM 528 C GLU A 46 5.242 1.064 2.025 1.00 0.00 C ATOM 529 O GLU A 46 6.025 0.139 1.941 1.00 0.00 O ATOM 530 CB GLU A 46 5.062 2.024 4.317 1.00 0.00 C ATOM 531 CG GLU A 46 4.055 2.878 5.092 1.00 0.00 C ATOM 532 CD GLU A 46 4.737 4.145 5.619 1.00 0.00 C ATOM 533 OE1 GLU A 46 5.880 4.376 5.262 1.00 0.00 O ATOM 534 OE2 GLU A 46 4.101 4.865 6.372 1.00 0.00 O ATOM 0 H GLU A 46 4.143 -0.244 4.780 1.00 0.00 H new ATOM 0 HA GLU A 46 3.421 1.743 2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.582 1.350 4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.819 2.661 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.220 3.147 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.643 2.305 5.922 1.00 0.00 H new ATOM 541 N VAL A 47 5.131 1.950 1.070 1.00 0.00 N ATOM 542 CA VAL A 47 5.974 1.834 -0.151 1.00 0.00 C ATOM 543 C VAL A 47 6.499 3.200 -0.584 1.00 0.00 C ATOM 544 O VAL A 47 5.752 4.144 -0.729 1.00 0.00 O ATOM 545 CB VAL A 47 5.119 1.268 -1.277 1.00 0.00 C ATOM 546 CG1 VAL A 47 5.927 1.231 -2.568 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.680 -0.145 -0.921 1.00 0.00 C ATOM 0 H VAL A 47 4.494 2.746 1.085 1.00 0.00 H new ATOM 0 HA VAL A 47 6.821 1.184 0.068 1.00 0.00 H new ATOM 0 HB VAL A 47 4.243 1.902 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.312 0.825 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.243 2.241 -2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.805 0.600 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.068 -0.550 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.559 -0.775 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.098 -0.124 0.001 1.00 0.00 H new ATOM 557 N ASP A 48 7.776 3.294 -0.832 1.00 0.00 N ATOM 558 CA ASP A 48 8.364 4.578 -1.301 1.00 0.00 C ATOM 559 C ASP A 48 8.807 4.391 -2.753 1.00 0.00 C ATOM 560 O ASP A 48 9.883 3.896 -3.023 1.00 0.00 O ATOM 561 CB ASP A 48 9.577 4.932 -0.437 1.00 0.00 C ATOM 562 CG ASP A 48 9.164 5.918 0.659 1.00 0.00 C ATOM 563 OD1 ASP A 48 7.974 6.079 0.869 1.00 0.00 O ATOM 564 OD2 ASP A 48 10.048 6.493 1.271 1.00 0.00 O ATOM 0 H ASP A 48 8.442 2.529 -0.729 1.00 0.00 H new ATOM 0 HA ASP A 48 7.632 5.382 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.992 4.029 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.360 5.369 -1.056 1.00 0.00 H new ATOM 569 N ALA A 49 7.973 4.751 -3.691 1.00 0.00 N ATOM 570 CA ALA A 49 8.339 4.557 -5.126 1.00 0.00 C ATOM 571 C ALA A 49 8.827 5.865 -5.753 1.00 0.00 C ATOM 572 O ALA A 49 8.385 6.943 -5.404 1.00 0.00 O ATOM 573 CB ALA A 49 7.115 4.061 -5.888 1.00 0.00 C ATOM 0 H ALA A 49 7.057 5.170 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 49 9.146 3.827 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.373 3.917 -6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.781 3.115 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.315 4.797 -5.809 1.00 0.00 H new ATOM 579 N ALA A 50 9.736 5.764 -6.691 1.00 0.00 N ATOM 580 CA ALA A 50 10.268 6.981 -7.365 1.00 0.00 C ATOM 581 C ALA A 50 9.310 7.407 -8.482 1.00 0.00 C ATOM 582 O ALA A 50 8.599 6.589 -9.056 1.00 0.00 O ATOM 583 CB ALA A 50 11.642 6.676 -7.966 1.00 0.00 C ATOM 0 H ALA A 50 10.133 4.883 -7.018 1.00 0.00 H new ATOM 0 HA ALA A 50 10.360 7.786 -6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.030 7.568 -8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.326 6.373 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.550 5.870 -8.694 1.00 0.00 H new ATOM 589 N GLY A 51 9.279 8.683 -8.789 1.00 0.00 N ATOM 590 CA GLY A 51 8.367 9.180 -9.856 1.00 0.00 C ATOM 591 C GLY A 51 6.988 8.578 -9.636 1.00 0.00 C ATOM 592 O GLY A 51 6.659 8.178 -8.540 1.00 0.00 O ATOM 0 H GLY A 51 9.850 9.400 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.313 10.268 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.748 8.903 -10.839 1.00 0.00 H new ATOM 596 N PRO A 52 6.229 8.514 -10.685 1.00 0.00 N ATOM 597 CA PRO A 52 4.887 7.930 -10.648 1.00 0.00 C ATOM 598 C PRO A 52 4.953 6.415 -10.908 1.00 0.00 C ATOM 599 O PRO A 52 4.120 5.881 -11.611 1.00 0.00 O ATOM 600 CB PRO A 52 4.179 8.619 -11.816 1.00 0.00 C ATOM 601 CG PRO A 52 5.293 9.086 -12.789 1.00 0.00 C ATOM 602 CD PRO A 52 6.617 9.052 -12.001 1.00 0.00 C ATOM 0 HA PRO A 52 4.389 8.066 -9.688 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.492 7.934 -12.312 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.588 9.466 -11.467 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.345 8.432 -13.660 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.088 10.091 -13.157 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.357 8.419 -12.490 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.056 10.046 -11.913 1.00 0.00 H new ATOM 610 N ALA A 53 5.931 5.700 -10.388 1.00 0.00 N ATOM 611 CA ALA A 53 5.964 4.235 -10.697 1.00 0.00 C ATOM 612 C ALA A 53 6.489 3.407 -9.518 1.00 0.00 C ATOM 613 O ALA A 53 7.355 3.825 -8.779 1.00 0.00 O ATOM 614 CB ALA A 53 6.864 3.999 -11.912 1.00 0.00 C ATOM 0 H ALA A 53 6.677 6.052 -9.788 1.00 0.00 H new ATOM 0 HA ALA A 53 4.942 3.915 -10.901 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.892 2.934 -12.142 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.469 4.545 -12.769 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.872 4.350 -11.691 1.00 0.00 H new ATOM 620 N ALA A 54 5.971 2.211 -9.373 1.00 0.00 N ATOM 621 CA ALA A 54 6.420 1.293 -8.283 1.00 0.00 C ATOM 622 C ALA A 54 6.113 -0.139 -8.717 1.00 0.00 C ATOM 623 O ALA A 54 5.603 -0.369 -9.793 1.00 0.00 O ATOM 624 CB ALA A 54 5.666 1.592 -6.982 1.00 0.00 C ATOM 0 H ALA A 54 5.243 1.827 -9.976 1.00 0.00 H new ATOM 0 HA ALA A 54 7.487 1.431 -8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.007 0.913 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.858 2.621 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.597 1.454 -7.141 1.00 0.00 H new ATOM 630 N SER A 55 6.404 -1.108 -7.898 1.00 0.00 N ATOM 631 CA SER A 55 6.103 -2.512 -8.291 1.00 0.00 C ATOM 632 C SER A 55 5.609 -3.285 -7.075 1.00 0.00 C ATOM 633 O SER A 55 5.937 -2.965 -5.953 1.00 0.00 O ATOM 634 CB SER A 55 7.351 -3.178 -8.855 1.00 0.00 C ATOM 635 OG SER A 55 8.450 -2.282 -8.765 1.00 0.00 O ATOM 0 H SER A 55 6.834 -0.992 -6.980 1.00 0.00 H new ATOM 0 HA SER A 55 5.329 -2.510 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.568 -4.093 -8.304 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.185 -3.464 -9.894 1.00 0.00 H new ATOM 0 HG SER A 55 9.253 -2.712 -9.127 1.00 0.00 H new ATOM 641 N HIS A 56 4.810 -4.291 -7.289 1.00 0.00 N ATOM 642 CA HIS A 56 4.273 -5.074 -6.142 1.00 0.00 C ATOM 643 C HIS A 56 4.925 -6.452 -6.080 1.00 0.00 C ATOM 644 O HIS A 56 5.107 -7.113 -7.082 1.00 0.00 O ATOM 645 CB HIS A 56 2.773 -5.250 -6.317 1.00 0.00 C ATOM 646 CG HIS A 56 2.057 -4.171 -5.563 1.00 0.00 C ATOM 647 ND1 HIS A 56 1.329 -4.203 -4.406 1.00 0.00 N flip ATOM 648 CD2 HIS A 56 2.030 -2.854 -5.993 1.00 0.00 C flip ATOM 649 CE1 HIS A 56 0.848 -2.934 -4.119 1.00 0.00 C flip ATOM 650 NE2 HIS A 56 1.303 -2.156 -5.102 1.00 0.00 N flip ATOM 0 H HIS A 56 4.505 -4.606 -8.210 1.00 0.00 H new ATOM 0 HA HIS A 56 4.490 -4.536 -5.219 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.511 -5.206 -7.374 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.465 -6.230 -5.953 1.00 0.00 H new ATOM 0 HD1 HIS A 56 1.164 -5.035 -3.839 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.505 -2.461 -6.880 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.236 -2.639 -3.279 1.00 0.00 H new ATOM 658 N ARG A 57 5.249 -6.894 -4.899 1.00 0.00 N ATOM 659 CA ARG A 57 5.868 -8.235 -4.738 1.00 0.00 C ATOM 660 C ARG A 57 4.870 -9.144 -4.019 1.00 0.00 C ATOM 661 O ARG A 57 4.845 -9.226 -2.809 1.00 0.00 O ATOM 662 CB ARG A 57 7.157 -8.116 -3.914 1.00 0.00 C ATOM 663 CG ARG A 57 6.899 -7.298 -2.641 1.00 0.00 C ATOM 664 CD ARG A 57 7.855 -6.105 -2.592 1.00 0.00 C ATOM 665 NE ARG A 57 7.614 -5.215 -3.764 1.00 0.00 N ATOM 666 CZ ARG A 57 8.605 -4.553 -4.294 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.534 -4.042 -3.531 1.00 0.00 N ATOM 668 NH2 ARG A 57 8.663 -4.394 -5.587 1.00 0.00 N ATOM 0 H ARG A 57 5.110 -6.378 -4.030 1.00 0.00 H new ATOM 0 HA ARG A 57 6.117 -8.654 -5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.521 -9.109 -3.649 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.935 -7.639 -4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.866 -6.950 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.039 -7.925 -1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.710 -5.549 -1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.887 -6.454 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 57 6.675 -5.124 -4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.485 -4.160 -2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.308 -3.525 -3.947 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.934 -4.787 -6.182 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.437 -3.877 -6.003 1.00 0.00 H new ATOM 682 N TYR A 58 4.037 -9.820 -4.758 1.00 0.00 N ATOM 683 CA TYR A 58 3.029 -10.708 -4.120 1.00 0.00 C ATOM 684 C TYR A 58 3.619 -12.108 -3.959 1.00 0.00 C ATOM 685 O TYR A 58 4.183 -12.656 -4.878 1.00 0.00 O ATOM 686 CB TYR A 58 1.781 -10.735 -5.001 1.00 0.00 C ATOM 687 CG TYR A 58 1.105 -9.401 -4.901 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.749 -8.912 -3.644 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.828 -8.659 -6.050 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.108 -7.684 -3.531 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.188 -7.423 -5.937 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.172 -6.939 -4.673 1.00 0.00 C ATOM 693 OH TYR A 58 -0.819 -5.736 -4.550 1.00 0.00 O ATOM 0 H TYR A 58 4.011 -9.796 -5.777 1.00 0.00 H new ATOM 0 HA TYR A 58 2.758 -10.338 -3.131 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.051 -10.947 -6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.106 -11.528 -4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.972 -9.488 -2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.107 -9.039 -7.022 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.173 -7.308 -2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.029 -6.842 -6.821 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.269 -5.027 -4.945 1.00 0.00 H new ATOM 703 N VAL A 59 3.523 -12.677 -2.786 1.00 0.00 N ATOM 704 CA VAL A 59 4.115 -14.029 -2.572 1.00 0.00 C ATOM 705 C VAL A 59 3.033 -15.064 -2.236 1.00 0.00 C ATOM 706 O VAL A 59 3.175 -16.227 -2.547 1.00 0.00 O ATOM 707 CB VAL A 59 5.129 -13.955 -1.428 1.00 0.00 C ATOM 708 CG1 VAL A 59 4.400 -13.806 -0.090 1.00 0.00 C ATOM 709 CG2 VAL A 59 5.968 -15.235 -1.408 1.00 0.00 C ATOM 0 H VAL A 59 3.064 -12.267 -1.973 1.00 0.00 H new ATOM 0 HA VAL A 59 4.607 -14.343 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 59 5.777 -13.092 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.130 -13.754 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.804 -12.893 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.746 -14.664 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.691 -15.184 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.315 -16.096 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.496 -15.339 -2.356 1.00 0.00 H new ATOM 719 N LEU A 60 1.966 -14.671 -1.596 1.00 0.00 N ATOM 720 CA LEU A 60 0.913 -15.665 -1.246 1.00 0.00 C ATOM 721 C LEU A 60 -0.241 -15.556 -2.242 1.00 0.00 C ATOM 722 O LEU A 60 -0.542 -14.484 -2.722 1.00 0.00 O ATOM 723 CB LEU A 60 0.403 -15.379 0.168 1.00 0.00 C ATOM 724 CG LEU A 60 0.330 -16.679 0.968 1.00 0.00 C ATOM 725 CD1 LEU A 60 1.144 -16.531 2.254 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.131 -16.971 1.317 1.00 0.00 C ATOM 0 H LEU A 60 1.779 -13.712 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 60 1.328 -16.672 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.066 -14.672 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.582 -14.915 0.122 1.00 0.00 H new ATOM 0 HG LEU A 60 0.736 -17.499 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.093 -17.458 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.183 -16.316 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.737 -15.714 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.190 -17.898 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.534 -16.151 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.711 -17.072 0.400 1.00 0.00 H new ATOM 738 N PRO A 61 -0.860 -16.672 -2.522 1.00 0.00 N ATOM 739 CA PRO A 61 -1.995 -16.727 -3.455 1.00 0.00 C ATOM 740 C PRO A 61 -3.259 -16.201 -2.771 1.00 0.00 C ATOM 741 O PRO A 61 -3.681 -16.710 -1.751 1.00 0.00 O ATOM 742 CB PRO A 61 -2.117 -18.216 -3.786 1.00 0.00 C ATOM 743 CG PRO A 61 -1.439 -18.976 -2.623 1.00 0.00 C ATOM 744 CD PRO A 61 -0.492 -17.975 -1.935 1.00 0.00 C ATOM 0 HA PRO A 61 -1.857 -16.116 -4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.163 -18.508 -3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.632 -18.444 -4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.183 -19.352 -1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.887 -19.839 -2.994 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.626 -17.977 -0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.553 -18.218 -2.127 1.00 0.00 H new ATOM 752 N GLY A 62 -3.859 -15.182 -3.318 1.00 0.00 N ATOM 753 CA GLY A 62 -5.091 -14.618 -2.698 1.00 0.00 C ATOM 754 C GLY A 62 -5.367 -13.234 -3.286 1.00 0.00 C ATOM 755 O GLY A 62 -4.929 -12.913 -4.370 1.00 0.00 O ATOM 0 H GLY A 62 -3.549 -14.714 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.939 -15.279 -2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.968 -14.548 -1.617 1.00 0.00 H new ATOM 759 N ARG A 63 -6.092 -12.408 -2.582 1.00 0.00 N ATOM 760 CA ARG A 63 -6.392 -11.049 -3.113 1.00 0.00 C ATOM 761 C ARG A 63 -5.687 -9.989 -2.265 1.00 0.00 C ATOM 762 O ARG A 63 -5.913 -9.879 -1.077 1.00 0.00 O ATOM 763 CB ARG A 63 -7.901 -10.806 -3.078 1.00 0.00 C ATOM 764 CG ARG A 63 -8.335 -10.128 -4.379 1.00 0.00 C ATOM 765 CD ARG A 63 -9.556 -9.245 -4.115 1.00 0.00 C ATOM 766 NE ARG A 63 -9.779 -8.350 -5.285 1.00 0.00 N ATOM 767 CZ ARG A 63 -10.967 -8.248 -5.815 1.00 0.00 C ATOM 768 NH1 ARG A 63 -11.639 -9.323 -6.129 1.00 0.00 N ATOM 769 NH2 ARG A 63 -11.482 -7.071 -6.036 1.00 0.00 N ATOM 0 H ARG A 63 -6.488 -12.615 -1.665 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.035 -10.983 -4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.430 -11.751 -2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.160 -10.180 -2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.518 -9.527 -4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.573 -10.880 -5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.436 -9.864 -3.943 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.402 -8.652 -3.213 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.001 -7.816 -5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.235 -10.244 -5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.568 -9.241 -6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.956 -6.231 -5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.411 -6.990 -6.450 1.00 0.00 H new ATOM 783 N TYR A 64 -4.840 -9.205 -2.873 1.00 0.00 N ATOM 784 CA TYR A 64 -4.122 -8.144 -2.112 1.00 0.00 C ATOM 785 C TYR A 64 -4.730 -6.783 -2.445 1.00 0.00 C ATOM 786 O TYR A 64 -5.159 -6.543 -3.555 1.00 0.00 O ATOM 787 CB TYR A 64 -2.654 -8.116 -2.526 1.00 0.00 C ATOM 788 CG TYR A 64 -1.934 -9.341 -2.022 1.00 0.00 C ATOM 789 CD1 TYR A 64 -1.354 -9.340 -0.748 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.817 -10.467 -2.844 1.00 0.00 C ATOM 791 CE1 TYR A 64 -0.654 -10.466 -0.297 1.00 0.00 C ATOM 792 CE2 TYR A 64 -1.124 -11.593 -2.392 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.539 -11.593 -1.119 1.00 0.00 C ATOM 794 OH TYR A 64 0.162 -12.698 -0.679 1.00 0.00 O ATOM 0 H TYR A 64 -4.614 -9.254 -3.866 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.210 -8.354 -1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.578 -8.065 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.177 -7.219 -2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.446 -8.471 -0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.262 -10.466 -3.828 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.203 -10.465 0.684 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.039 -12.464 -3.025 1.00 0.00 H new ATOM 0 HH TYR A 64 0.305 -12.631 0.288 1.00 0.00 H new ATOM 804 N HIS A 65 -4.744 -5.883 -1.503 1.00 0.00 N ATOM 805 CA HIS A 65 -5.301 -4.529 -1.777 1.00 0.00 C ATOM 806 C HIS A 65 -4.142 -3.544 -1.935 1.00 0.00 C ATOM 807 O HIS A 65 -3.223 -3.524 -1.142 1.00 0.00 O ATOM 808 CB HIS A 65 -6.192 -4.094 -0.616 1.00 0.00 C ATOM 809 CG HIS A 65 -6.718 -2.711 -0.883 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.628 -2.453 -1.895 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.471 -1.502 -0.284 1.00 0.00 C ATOM 812 CE1 HIS A 65 -7.894 -1.136 -1.876 1.00 0.00 C ATOM 813 NE2 HIS A 65 -7.216 -0.507 -0.912 1.00 0.00 N ATOM 0 H HIS A 65 -4.394 -6.026 -0.556 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.896 -4.551 -2.690 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.020 -4.793 -0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.627 -4.107 0.316 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.024 -3.138 -2.538 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.801 -1.345 0.548 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.573 -0.646 -2.557 1.00 0.00 H new ATOM 821 N VAL A 66 -4.167 -2.738 -2.958 1.00 0.00 N ATOM 822 CA VAL A 66 -3.052 -1.772 -3.169 1.00 0.00 C ATOM 823 C VAL A 66 -3.549 -0.336 -2.997 1.00 0.00 C ATOM 824 O VAL A 66 -4.683 -0.024 -3.286 1.00 0.00 O ATOM 825 CB VAL A 66 -2.506 -1.941 -4.584 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.376 -0.941 -4.820 1.00 0.00 C ATOM 827 CG2 VAL A 66 -1.973 -3.356 -4.753 1.00 0.00 C ATOM 0 H VAL A 66 -4.909 -2.705 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.271 -1.969 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.304 -1.762 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.987 -1.063 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.756 0.073 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.577 -1.118 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.582 -3.479 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.176 -3.533 -4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.779 -4.071 -4.586 1.00 0.00 H new ATOM 837 N THR A 67 -2.688 0.537 -2.546 1.00 0.00 N ATOM 838 CA THR A 67 -3.071 1.968 -2.368 1.00 0.00 C ATOM 839 C THR A 67 -1.831 2.826 -2.621 1.00 0.00 C ATOM 840 O THR A 67 -0.716 2.373 -2.448 1.00 0.00 O ATOM 841 CB THR A 67 -3.573 2.214 -0.940 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.470 2.506 -0.096 1.00 0.00 O ATOM 843 CG2 THR A 67 -4.301 0.975 -0.418 1.00 0.00 C ATOM 0 H THR A 67 -1.725 0.317 -2.291 1.00 0.00 H new ATOM 0 HA THR A 67 -3.869 2.224 -3.065 1.00 0.00 H new ATOM 0 HB THR A 67 -4.265 3.056 -0.945 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.790 2.665 0.817 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.653 1.161 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.152 0.754 -1.063 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.618 0.126 -0.415 1.00 0.00 H new ATOM 851 N ALA A 68 -2.001 4.057 -3.029 1.00 0.00 N ATOM 852 CA ALA A 68 -0.804 4.912 -3.284 1.00 0.00 C ATOM 853 C ALA A 68 -1.127 6.387 -3.045 1.00 0.00 C ATOM 854 O ALA A 68 -2.268 6.795 -3.005 1.00 0.00 O ATOM 855 CB ALA A 68 -0.334 4.737 -4.733 1.00 0.00 C ATOM 0 H ALA A 68 -2.904 4.502 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.017 4.602 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.540 5.364 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.073 3.693 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.134 5.029 -5.413 1.00 0.00 H new ATOM 861 N VAL A 69 -0.112 7.186 -2.899 1.00 0.00 N ATOM 862 CA VAL A 69 -0.304 8.643 -2.686 1.00 0.00 C ATOM 863 C VAL A 69 0.918 9.355 -3.265 1.00 0.00 C ATOM 864 O VAL A 69 2.016 9.209 -2.775 1.00 0.00 O ATOM 865 CB VAL A 69 -0.442 8.939 -1.189 1.00 0.00 C ATOM 866 CG1 VAL A 69 0.838 8.541 -0.450 1.00 0.00 C ATOM 867 CG2 VAL A 69 -0.700 10.434 -0.987 1.00 0.00 C ATOM 0 H VAL A 69 0.862 6.884 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.212 8.992 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.277 8.362 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.727 8.757 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.021 7.475 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.680 9.107 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.798 10.646 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.134 11.005 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.619 10.717 -1.500 1.00 0.00 H new ATOM 877 N LEU A 70 0.760 10.099 -4.320 1.00 0.00 N ATOM 878 CA LEU A 70 1.957 10.760 -4.908 1.00 0.00 C ATOM 879 C LEU A 70 2.177 12.118 -4.266 1.00 0.00 C ATOM 880 O LEU A 70 1.246 12.839 -3.981 1.00 0.00 O ATOM 881 CB LEU A 70 1.807 10.973 -6.417 1.00 0.00 C ATOM 882 CG LEU A 70 0.578 10.275 -6.991 1.00 0.00 C ATOM 883 CD1 LEU A 70 0.518 10.614 -8.474 1.00 0.00 C ATOM 884 CD2 LEU A 70 0.676 8.758 -6.831 1.00 0.00 C ATOM 0 H LEU A 70 -0.126 10.277 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 70 2.804 10.100 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.743 12.041 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.699 10.603 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.314 10.610 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.350 10.132 -8.923 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.437 11.694 -8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.424 10.259 -8.965 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.215 8.290 -7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.559 8.393 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.754 8.508 -5.773 1.00 0.00 H new ATOM 896 N ALA A 71 3.410 12.486 -4.066 1.00 0.00 N ATOM 897 CA ALA A 71 3.693 13.817 -3.475 1.00 0.00 C ATOM 898 C ALA A 71 4.583 14.597 -4.429 1.00 0.00 C ATOM 899 O ALA A 71 5.699 14.213 -4.719 1.00 0.00 O ATOM 900 CB ALA A 71 4.405 13.679 -2.138 1.00 0.00 C ATOM 0 H ALA A 71 4.231 11.923 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 71 2.748 14.337 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.601 14.669 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.777 13.117 -1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.349 13.152 -2.281 1.00 0.00 H new ATOM 906 N LEU A 72 4.095 15.689 -4.912 1.00 0.00 N ATOM 907 CA LEU A 72 4.891 16.519 -5.849 1.00 0.00 C ATOM 908 C LEU A 72 5.388 17.766 -5.124 1.00 0.00 C ATOM 909 O LEU A 72 6.248 18.479 -5.601 1.00 0.00 O ATOM 910 CB LEU A 72 3.994 16.940 -7.005 1.00 0.00 C ATOM 911 CG LEU A 72 4.551 16.400 -8.326 1.00 0.00 C ATOM 912 CD1 LEU A 72 3.813 17.062 -9.491 1.00 0.00 C ATOM 913 CD2 LEU A 72 6.044 16.729 -8.421 1.00 0.00 C ATOM 0 H LEU A 72 3.166 16.052 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 72 5.743 15.950 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.983 16.564 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.927 18.027 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 72 4.412 15.320 -8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.206 16.681 -10.434 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.749 16.836 -9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.958 18.141 -9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.442 16.345 -9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.182 17.810 -8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.572 16.266 -7.587 1.00 0.00 H new ATOM 925 N GLY A 73 4.837 18.039 -3.981 1.00 0.00 N ATOM 926 CA GLY A 73 5.248 19.249 -3.215 1.00 0.00 C ATOM 927 C GLY A 73 4.091 20.245 -3.232 1.00 0.00 C ATOM 928 O GLY A 73 3.656 20.728 -2.206 1.00 0.00 O ATOM 0 H GLY A 73 4.113 17.474 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.503 18.981 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.139 19.694 -3.658 1.00 0.00 H new ATOM 932 N ALA A 74 3.579 20.538 -4.397 1.00 0.00 N ATOM 933 CA ALA A 74 2.435 21.487 -4.497 1.00 0.00 C ATOM 934 C ALA A 74 1.170 20.727 -4.920 1.00 0.00 C ATOM 935 O ALA A 74 0.090 21.282 -4.960 1.00 0.00 O ATOM 936 CB ALA A 74 2.750 22.558 -5.539 1.00 0.00 C ATOM 0 H ALA A 74 3.905 20.159 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 74 2.271 21.956 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.913 23.252 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.647 23.101 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.915 22.086 -6.507 1.00 0.00 H new ATOM 942 N GLY A 75 1.293 19.465 -5.237 1.00 0.00 N ATOM 943 CA GLY A 75 0.099 18.678 -5.656 1.00 0.00 C ATOM 944 C GLY A 75 0.289 17.213 -5.255 1.00 0.00 C ATOM 945 O GLY A 75 1.392 16.767 -5.009 1.00 0.00 O ATOM 0 H GLY A 75 2.171 18.946 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.799 19.081 -5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.042 18.756 -6.734 1.00 0.00 H new ATOM 949 N SER A 76 -0.776 16.464 -5.179 1.00 0.00 N ATOM 950 CA SER A 76 -0.652 15.031 -4.786 1.00 0.00 C ATOM 951 C SER A 76 -1.772 14.220 -5.435 1.00 0.00 C ATOM 952 O SER A 76 -2.752 14.759 -5.906 1.00 0.00 O ATOM 953 CB SER A 76 -0.757 14.914 -3.265 1.00 0.00 C ATOM 954 OG SER A 76 -2.114 14.688 -2.904 1.00 0.00 O ATOM 0 H SER A 76 -1.726 16.781 -5.372 1.00 0.00 H new ATOM 0 HA SER A 76 0.312 14.646 -5.119 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.132 14.095 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.390 15.825 -2.792 1.00 0.00 H new ATOM 0 HG SER A 76 -2.185 14.611 -1.930 1.00 0.00 H new ATOM 960 N ALA A 77 -1.631 12.925 -5.459 1.00 0.00 N ATOM 961 CA ALA A 77 -2.681 12.070 -6.073 1.00 0.00 C ATOM 962 C ALA A 77 -2.898 10.836 -5.196 1.00 0.00 C ATOM 963 O ALA A 77 -2.086 10.522 -4.351 1.00 0.00 O ATOM 964 CB ALA A 77 -2.223 11.641 -7.463 1.00 0.00 C ATOM 0 H ALA A 77 -0.830 12.421 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.616 12.625 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.988 11.013 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.061 12.524 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.293 11.079 -7.382 1.00 0.00 H new ATOM 970 N LEU A 78 -3.986 10.136 -5.382 1.00 0.00 N ATOM 971 CA LEU A 78 -4.241 8.928 -4.544 1.00 0.00 C ATOM 972 C LEU A 78 -4.424 7.703 -5.438 1.00 0.00 C ATOM 973 O LEU A 78 -4.872 7.802 -6.562 1.00 0.00 O ATOM 974 CB LEU A 78 -5.503 9.138 -3.706 1.00 0.00 C ATOM 975 CG LEU A 78 -5.425 10.483 -2.980 1.00 0.00 C ATOM 976 CD1 LEU A 78 -6.819 10.881 -2.496 1.00 0.00 C ATOM 977 CD2 LEU A 78 -4.488 10.359 -1.777 1.00 0.00 C ATOM 0 H LEU A 78 -4.705 10.347 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.388 8.768 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.385 9.111 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.609 8.329 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.044 11.243 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.765 11.839 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.490 10.968 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.198 10.121 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.432 11.317 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.870 9.600 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.493 10.072 -2.119 1.00 0.00 H new ATOM 989 N LEU A 79 -4.070 6.546 -4.945 1.00 0.00 N ATOM 990 CA LEU A 79 -4.206 5.310 -5.758 1.00 0.00 C ATOM 991 C LEU A 79 -4.877 4.218 -4.933 1.00 0.00 C ATOM 992 O LEU A 79 -4.898 4.265 -3.719 1.00 0.00 O ATOM 993 CB LEU A 79 -2.813 4.837 -6.172 1.00 0.00 C ATOM 994 CG LEU A 79 -2.751 4.547 -7.670 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.852 3.037 -7.904 1.00 0.00 C ATOM 996 CD2 LEU A 79 -3.894 5.262 -8.393 1.00 0.00 C ATOM 0 H LEU A 79 -3.691 6.407 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.813 5.519 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.076 5.598 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.550 3.938 -5.614 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.803 4.912 -8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.808 2.831 -8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.024 2.535 -7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.796 2.669 -7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.840 5.048 -9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.849 4.911 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.809 6.337 -8.234 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.418 3.230 -5.590 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.087 2.124 -4.858 1.00 0.00 C ATOM 1010 C GLY A 80 -6.464 1.002 -5.833 1.00 0.00 C ATOM 1011 O GLY A 80 -7.460 1.080 -6.523 1.00 0.00 O ATOM 0 H GLY A 80 -5.424 3.143 -6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.425 1.737 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.980 2.497 -4.357 1.00 0.00 H new ATOM 1015 N THR A 81 -5.678 -0.044 -5.894 1.00 0.00 N ATOM 1016 CA THR A 81 -6.000 -1.166 -6.828 1.00 0.00 C ATOM 1017 C THR A 81 -6.173 -2.474 -6.044 1.00 0.00 C ATOM 1018 O THR A 81 -6.177 -2.489 -4.830 1.00 0.00 O ATOM 1019 CB THR A 81 -4.865 -1.340 -7.847 1.00 0.00 C ATOM 1020 OG1 THR A 81 -3.895 -2.235 -7.325 1.00 0.00 O ATOM 1021 CG2 THR A 81 -4.208 0.009 -8.139 1.00 0.00 C ATOM 0 H THR A 81 -4.831 -0.169 -5.340 1.00 0.00 H new ATOM 0 HA THR A 81 -6.928 -0.929 -7.348 1.00 0.00 H new ATOM 0 HB THR A 81 -5.277 -1.742 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.925 -3.077 -7.825 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.404 -0.127 -8.863 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.951 0.695 -8.546 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.799 0.422 -7.217 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.307 -3.570 -6.743 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.469 -4.895 -6.076 1.00 0.00 C ATOM 1031 C ASP A 82 -5.889 -5.965 -7.004 1.00 0.00 C ATOM 1032 O ASP A 82 -5.977 -5.849 -8.211 1.00 0.00 O ATOM 1033 CB ASP A 82 -7.953 -5.174 -5.838 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.200 -5.388 -4.345 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -7.926 -6.477 -3.868 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.660 -4.460 -3.703 1.00 0.00 O ATOM 0 H ASP A 82 -6.311 -3.603 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.952 -4.902 -5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.553 -4.339 -6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.262 -6.056 -6.398 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.291 -6.999 -6.474 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.714 -8.039 -7.363 1.00 0.00 C ATOM 1043 C VAL A 83 -5.132 -9.428 -6.879 1.00 0.00 C ATOM 1044 O VAL A 83 -5.229 -9.682 -5.697 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.181 -7.946 -7.358 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.683 -7.036 -6.230 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.601 -9.334 -7.133 1.00 0.00 C ATOM 0 H VAL A 83 -5.180 -7.164 -5.474 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.085 -7.877 -8.375 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.864 -7.534 -8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.594 -6.991 -6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.091 -6.034 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.009 -7.435 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.512 -9.277 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.948 -9.723 -6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.926 -9.998 -7.934 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.365 -10.332 -7.791 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.760 -11.713 -7.397 1.00 0.00 C ATOM 1059 C GLN A 84 -4.581 -12.652 -7.664 1.00 0.00 C ATOM 1060 O GLN A 84 -4.481 -13.258 -8.712 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.969 -12.152 -8.224 1.00 0.00 C ATOM 1062 CG GLN A 84 -8.015 -12.790 -7.308 1.00 0.00 C ATOM 1063 CD GLN A 84 -8.953 -13.666 -8.140 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -9.169 -14.817 -7.821 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -9.525 -13.165 -9.202 1.00 0.00 N ATOM 0 H GLN A 84 -5.298 -10.172 -8.796 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.024 -11.742 -6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.399 -11.294 -8.741 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.659 -12.863 -8.990 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.525 -13.389 -6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.584 -12.016 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.344 -12.198 -9.471 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.153 -13.741 -9.763 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.679 -12.764 -6.728 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.499 -13.647 -6.930 1.00 0.00 C ATOM 1076 C VAL A 85 -2.929 -15.114 -6.902 1.00 0.00 C ATOM 1077 O VAL A 85 -3.655 -15.544 -6.029 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.471 -13.384 -5.829 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.335 -14.408 -5.924 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -0.900 -11.978 -6.008 1.00 0.00 C ATOM 0 H VAL A 85 -3.710 -12.280 -5.830 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.052 -13.432 -7.901 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.951 -13.471 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.395 -14.216 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.740 -15.413 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.150 -14.324 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.166 -11.781 -5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.421 -11.901 -6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.706 -11.247 -5.941 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.481 -15.883 -7.858 1.00 0.00 N ATOM 1091 CA GLU A 86 -2.854 -17.325 -7.902 1.00 0.00 C ATOM 1092 C GLU A 86 -1.599 -18.171 -7.675 1.00 0.00 C ATOM 1093 O GLU A 86 -0.594 -17.684 -7.204 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.453 -17.652 -9.272 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.560 -16.648 -9.605 1.00 0.00 C ATOM 1096 CD GLU A 86 -5.927 -17.294 -9.369 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -6.138 -18.386 -9.870 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -6.739 -16.686 -8.693 1.00 0.00 O ATOM 0 H GLU A 86 -1.870 -15.572 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.588 -17.543 -7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.677 -17.618 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.856 -18.665 -9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.456 -15.757 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.473 -16.326 -10.643 1.00 0.00 H new ATOM 1105 N ALA A 87 -1.643 -19.433 -8.008 1.00 0.00 N ATOM 1106 CA ALA A 87 -0.442 -20.293 -7.810 1.00 0.00 C ATOM 1107 C ALA A 87 -0.188 -21.114 -9.076 1.00 0.00 C ATOM 1108 O ALA A 87 -1.035 -21.862 -9.523 1.00 0.00 O ATOM 1109 CB ALA A 87 -0.673 -21.236 -6.626 1.00 0.00 C ATOM 0 H ALA A 87 -2.455 -19.904 -8.407 1.00 0.00 H new ATOM 0 HA ALA A 87 0.424 -19.663 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.207 -21.864 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.851 -20.651 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.540 -21.866 -6.826 1.00 0.00 H new TER 1115 ALA A 87