USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 724 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 81 ASN : amide:sc= -0.0512 X(o=-3.8,f=-4) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -2.74 X(o=-3.8,f=-4.1) USER MOD Set 1.3: A 92 SER OG : rot -120:sc= -1.05 USER MOD Set 2.1: A 52 SER OG : rot -64:sc= 1.28 USER MOD Set 2.2: A 78 TYR OH : rot -1:sc= 2.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0.0151 USER MOD Single : A 10 GLN : amide:sc= 0.228 K(o=0.23,f=-6.5!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= -0.267 (180deg=-1.64!) USER MOD Single : A 26 THR OG1 : rot 32:sc= -0.697 USER MOD Single : A 27 ASN : amide:sc= -2.95! K(o=-2.9!,f=-0.39) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.64 K(o=-2.6,f=-1.3) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 54 SER OG : rot 180:sc= -0.425 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.613 X(o=-0.61,f=-0.61) USER MOD Single : A 58 CYS SG : rot 2:sc= 1.01 USER MOD Single : A 61 ASN : amide:sc= -2.05 K(o=-2,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -66:sc= -1.42 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 156:sc= 0.219 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -152:sc= 0.283 USER MOD Single : A 99 LYS NZ :NH3+ -132:sc= 0.0533 (180deg=-0.756) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.881 8.278 15.725 1.00 0.00 N ATOM 2 CA GLY A 1 11.587 8.846 15.392 1.00 0.00 C ATOM 3 C GLY A 1 11.659 10.336 15.123 1.00 0.00 C ATOM 4 O GLY A 1 11.850 11.130 16.044 1.00 0.00 O ATOM 0 H1 GLY A 1 12.778 7.258 15.900 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.540 8.429 14.935 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.253 8.740 16.579 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.187 8.340 14.513 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.891 8.661 16.210 1.00 0.00 H new ATOM 8 N SER A 2 11.509 10.716 13.859 1.00 0.00 N ATOM 9 CA SER A 2 11.564 12.120 13.471 1.00 0.00 C ATOM 10 C SER A 2 10.172 12.745 13.495 1.00 0.00 C ATOM 11 O SER A 2 9.206 12.154 13.013 1.00 0.00 O ATOM 12 CB SER A 2 12.175 12.263 12.076 1.00 0.00 C ATOM 13 OG SER A 2 12.073 13.596 11.608 1.00 0.00 O ATOM 0 H SER A 2 11.348 10.071 13.085 1.00 0.00 H new ATOM 0 HA SER A 2 12.192 12.645 14.190 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.223 11.963 12.102 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.668 11.591 11.383 1.00 0.00 H new ATOM 0 HG SER A 2 12.472 13.661 10.715 1.00 0.00 H new ATOM 19 N SER A 3 10.078 13.945 14.060 1.00 0.00 N ATOM 20 CA SER A 3 8.805 14.650 14.151 1.00 0.00 C ATOM 21 C SER A 3 8.968 16.118 13.769 1.00 0.00 C ATOM 22 O SER A 3 10.018 16.717 13.997 1.00 0.00 O ATOM 23 CB SER A 3 8.237 14.539 15.567 1.00 0.00 C ATOM 24 OG SER A 3 6.886 14.966 15.609 1.00 0.00 O ATOM 0 H SER A 3 10.869 14.449 14.462 1.00 0.00 H new ATOM 0 HA SER A 3 8.110 14.186 13.451 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.306 13.507 15.910 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.834 15.143 16.250 1.00 0.00 H new ATOM 0 HG SER A 3 6.545 14.884 16.524 1.00 0.00 H new ATOM 30 N GLY A 4 7.920 16.692 13.187 1.00 0.00 N ATOM 31 CA GLY A 4 7.966 18.085 12.783 1.00 0.00 C ATOM 32 C GLY A 4 8.821 18.303 11.551 1.00 0.00 C ATOM 33 O GLY A 4 9.858 18.963 11.615 1.00 0.00 O ATOM 0 H GLY A 4 7.040 16.217 12.988 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.953 18.436 12.586 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.357 18.686 13.604 1.00 0.00 H new ATOM 37 N SER A 5 8.388 17.745 10.425 1.00 0.00 N ATOM 38 CA SER A 5 9.124 17.877 9.173 1.00 0.00 C ATOM 39 C SER A 5 9.023 19.299 8.631 1.00 0.00 C ATOM 40 O SER A 5 7.938 19.877 8.572 1.00 0.00 O ATOM 41 CB SER A 5 8.592 16.885 8.137 1.00 0.00 C ATOM 42 OG SER A 5 9.423 16.852 6.989 1.00 0.00 O ATOM 0 H SER A 5 7.531 17.197 10.354 1.00 0.00 H new ATOM 0 HA SER A 5 10.173 17.656 9.372 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.535 15.890 8.578 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.579 17.164 7.848 1.00 0.00 H new ATOM 0 HG SER A 5 9.063 16.209 6.343 1.00 0.00 H new ATOM 48 N SER A 6 10.163 19.858 8.235 1.00 0.00 N ATOM 49 CA SER A 6 10.204 21.214 7.701 1.00 0.00 C ATOM 50 C SER A 6 9.370 21.322 6.429 1.00 0.00 C ATOM 51 O SER A 6 9.368 20.418 5.595 1.00 0.00 O ATOM 52 CB SER A 6 11.649 21.627 7.414 1.00 0.00 C ATOM 53 OG SER A 6 12.388 21.768 8.615 1.00 0.00 O ATOM 0 H SER A 6 11.070 19.392 8.274 1.00 0.00 H new ATOM 0 HA SER A 6 9.783 21.886 8.449 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.124 20.881 6.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.659 22.568 6.865 1.00 0.00 H new ATOM 0 HG SER A 6 13.308 22.031 8.404 1.00 0.00 H new ATOM 59 N GLY A 7 8.661 22.438 6.287 1.00 0.00 N ATOM 60 CA GLY A 7 7.831 22.646 5.114 1.00 0.00 C ATOM 61 C GLY A 7 6.458 22.020 5.257 1.00 0.00 C ATOM 62 O GLY A 7 6.286 21.045 5.987 1.00 0.00 O ATOM 0 H GLY A 7 8.646 23.202 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.722 23.716 4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.330 22.225 4.241 1.00 0.00 H new ATOM 66 N GLY A 8 5.477 22.582 4.557 1.00 0.00 N ATOM 67 CA GLY A 8 4.125 22.060 4.625 1.00 0.00 C ATOM 68 C GLY A 8 3.781 21.186 3.435 1.00 0.00 C ATOM 69 O GLY A 8 3.180 21.653 2.466 1.00 0.00 O ATOM 0 H GLY A 8 5.595 23.389 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.007 21.483 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.420 22.890 4.678 1.00 0.00 H new ATOM 73 N CYS A 9 4.163 19.916 3.506 1.00 0.00 N ATOM 74 CA CYS A 9 3.893 18.975 2.425 1.00 0.00 C ATOM 75 C CYS A 9 2.393 18.750 2.262 1.00 0.00 C ATOM 76 O CYS A 9 1.594 19.215 3.074 1.00 0.00 O ATOM 77 CB CYS A 9 4.595 17.643 2.693 1.00 0.00 C ATOM 78 SG CYS A 9 4.151 16.880 4.272 1.00 0.00 S ATOM 0 H CYS A 9 4.661 19.514 4.301 1.00 0.00 H new ATOM 0 HA CYS A 9 4.281 19.402 1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.356 16.950 1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.673 17.801 2.668 1.00 0.00 H new ATOM 0 HG CYS A 9 4.793 15.758 4.407 1.00 0.00 H new ATOM 84 N GLN A 10 2.019 18.035 1.205 1.00 0.00 N ATOM 85 CA GLN A 10 0.615 17.750 0.935 1.00 0.00 C ATOM 86 C GLN A 10 0.381 16.250 0.793 1.00 0.00 C ATOM 87 O GLN A 10 0.532 15.673 -0.284 1.00 0.00 O ATOM 88 CB GLN A 10 0.162 18.472 -0.336 1.00 0.00 C ATOM 89 CG GLN A 10 -0.212 19.927 -0.109 1.00 0.00 C ATOM 90 CD GLN A 10 -1.175 20.452 -1.155 1.00 0.00 C ATOM 91 OE1 GLN A 10 -2.037 19.721 -1.645 1.00 0.00 O ATOM 92 NE2 GLN A 10 -1.036 21.726 -1.504 1.00 0.00 N ATOM 0 H GLN A 10 2.668 17.643 0.523 1.00 0.00 H new ATOM 0 HA GLN A 10 0.028 18.112 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.961 18.422 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.696 17.947 -0.756 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.661 20.033 0.879 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.692 20.536 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.308 22.296 -1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.657 22.134 -2.203 1.00 0.00 H new ATOM 101 N PRO A 11 0.003 15.602 1.905 1.00 0.00 N ATOM 102 CA PRO A 11 -0.260 14.160 1.930 1.00 0.00 C ATOM 103 C PRO A 11 -1.526 13.789 1.166 1.00 0.00 C ATOM 104 O PRO A 11 -1.835 12.610 0.993 1.00 0.00 O ATOM 105 CB PRO A 11 -0.427 13.856 3.421 1.00 0.00 C ATOM 106 CG PRO A 11 -0.867 15.145 4.024 1.00 0.00 C ATOM 107 CD PRO A 11 -0.197 16.227 3.223 1.00 0.00 C ATOM 0 HA PRO A 11 0.538 13.592 1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.165 13.070 3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.508 13.512 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.952 15.245 3.984 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.580 15.203 5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.819 17.120 3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.749 16.531 3.671 1.00 0.00 H new ATOM 115 N SER A 12 -2.256 14.802 0.710 1.00 0.00 N ATOM 116 CA SER A 12 -3.491 14.581 -0.034 1.00 0.00 C ATOM 117 C SER A 12 -3.203 14.389 -1.520 1.00 0.00 C ATOM 118 O SER A 12 -3.929 13.681 -2.217 1.00 0.00 O ATOM 119 CB SER A 12 -4.447 15.758 0.165 1.00 0.00 C ATOM 120 OG SER A 12 -5.399 15.825 -0.884 1.00 0.00 O ATOM 0 H SER A 12 -2.014 15.784 0.843 1.00 0.00 H new ATOM 0 HA SER A 12 -3.959 13.673 0.347 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.961 15.656 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.880 16.688 0.206 1.00 0.00 H new ATOM 0 HG SER A 12 -5.999 16.585 -0.733 1.00 0.00 H new ATOM 126 N ARG A 13 -2.139 15.027 -1.997 1.00 0.00 N ATOM 127 CA ARG A 13 -1.755 14.928 -3.400 1.00 0.00 C ATOM 128 C ARG A 13 -1.318 13.508 -3.746 1.00 0.00 C ATOM 129 O ARG A 13 -1.092 13.182 -4.912 1.00 0.00 O ATOM 130 CB ARG A 13 -0.626 15.911 -3.713 1.00 0.00 C ATOM 131 CG ARG A 13 -0.979 17.359 -3.413 1.00 0.00 C ATOM 132 CD ARG A 13 -1.691 18.013 -4.587 1.00 0.00 C ATOM 133 NE ARG A 13 -2.080 19.390 -4.293 1.00 0.00 N ATOM 134 CZ ARG A 13 -2.908 20.098 -5.053 1.00 0.00 C ATOM 135 NH1 ARG A 13 -3.432 19.561 -6.147 1.00 0.00 N ATOM 136 NH2 ARG A 13 -3.214 21.345 -4.720 1.00 0.00 N ATOM 0 H ARG A 13 -1.528 15.618 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.625 15.180 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.256 15.634 -3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.359 15.822 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.615 17.404 -2.529 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.071 17.916 -3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.039 17.999 -5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.578 17.432 -4.842 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.695 19.832 -3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.199 18.602 -6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.068 20.107 -6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.813 21.761 -3.879 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.850 21.888 -5.305 1.00 0.00 H new ATOM 150 N VAL A 14 -1.199 12.665 -2.724 1.00 0.00 N ATOM 151 CA VAL A 14 -0.790 11.280 -2.919 1.00 0.00 C ATOM 152 C VAL A 14 -1.959 10.421 -3.387 1.00 0.00 C ATOM 153 O VAL A 14 -3.102 10.643 -2.988 1.00 0.00 O ATOM 154 CB VAL A 14 -0.210 10.679 -1.625 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.450 9.338 -1.908 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.776 11.643 -0.985 1.00 0.00 C ATOM 0 H VAL A 14 -1.380 12.918 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.017 11.284 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.028 10.514 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.854 8.929 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.288 8.649 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.258 9.475 -2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.176 11.202 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.592 11.843 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.268 12.577 -0.744 1.00 0.00 H new ATOM 166 N GLN A 15 -1.665 9.440 -4.234 1.00 0.00 N ATOM 167 CA GLN A 15 -2.693 8.548 -4.755 1.00 0.00 C ATOM 168 C GLN A 15 -2.203 7.104 -4.774 1.00 0.00 C ATOM 169 O GLN A 15 -1.084 6.824 -5.202 1.00 0.00 O ATOM 170 CB GLN A 15 -3.104 8.978 -6.165 1.00 0.00 C ATOM 171 CG GLN A 15 -3.551 10.428 -6.253 1.00 0.00 C ATOM 172 CD GLN A 15 -4.084 10.792 -7.625 1.00 0.00 C ATOM 173 OE1 GLN A 15 -5.256 11.138 -7.776 1.00 0.00 O ATOM 174 NE2 GLN A 15 -3.225 10.716 -8.634 1.00 0.00 N ATOM 0 H GLN A 15 -0.724 9.243 -4.574 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.559 8.610 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.264 8.824 -6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.914 8.335 -6.510 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.324 10.612 -5.507 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.711 11.079 -6.009 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.263 10.425 -8.464 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.527 10.949 -9.580 1.00 0.00 H new ATOM 183 N ALA A 16 -3.048 6.191 -4.305 1.00 0.00 N ATOM 184 CA ALA A 16 -2.701 4.776 -4.270 1.00 0.00 C ATOM 185 C ALA A 16 -3.702 3.945 -5.066 1.00 0.00 C ATOM 186 O ALA A 16 -4.900 3.963 -4.784 1.00 0.00 O ATOM 187 CB ALA A 16 -2.632 4.286 -2.831 1.00 0.00 C ATOM 0 H ALA A 16 -3.977 6.407 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.721 4.656 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.372 3.228 -2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.874 4.852 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.601 4.427 -2.352 1.00 0.00 H new ATOM 193 N GLN A 17 -3.202 3.219 -6.061 1.00 0.00 N ATOM 194 CA GLN A 17 -4.054 2.383 -6.898 1.00 0.00 C ATOM 195 C GLN A 17 -3.321 1.116 -7.325 1.00 0.00 C ATOM 196 O GLN A 17 -2.103 1.119 -7.501 1.00 0.00 O ATOM 197 CB GLN A 17 -4.513 3.161 -8.133 1.00 0.00 C ATOM 198 CG GLN A 17 -3.368 3.636 -9.013 1.00 0.00 C ATOM 199 CD GLN A 17 -3.829 4.047 -10.398 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.384 5.130 -10.585 1.00 0.00 O ATOM 201 NE2 GLN A 17 -3.600 3.181 -11.379 1.00 0.00 N ATOM 0 H GLN A 17 -2.212 3.193 -6.307 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.927 2.097 -6.312 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.177 2.530 -8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.096 4.024 -7.812 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.872 4.480 -8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.628 2.840 -9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.137 2.295 -11.179 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.887 3.403 -12.332 1.00 0.00 H new ATOM 210 N GLY A 18 -4.072 0.031 -7.491 1.00 0.00 N ATOM 211 CA GLY A 18 -3.477 -1.229 -7.895 1.00 0.00 C ATOM 212 C GLY A 18 -4.129 -2.421 -7.224 1.00 0.00 C ATOM 213 O GLY A 18 -5.113 -2.288 -6.495 1.00 0.00 O ATOM 0 H GLY A 18 -5.082 0.003 -7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.559 -1.335 -8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.414 -1.218 -7.656 1.00 0.00 H new ATOM 217 N PRO A 19 -3.577 -3.619 -7.468 1.00 0.00 N ATOM 218 CA PRO A 19 -4.096 -4.862 -6.891 1.00 0.00 C ATOM 219 C PRO A 19 -3.856 -4.949 -5.388 1.00 0.00 C ATOM 220 O PRO A 19 -4.746 -5.328 -4.628 1.00 0.00 O ATOM 221 CB PRO A 19 -3.306 -5.950 -7.623 1.00 0.00 C ATOM 222 CG PRO A 19 -2.041 -5.282 -8.041 1.00 0.00 C ATOM 223 CD PRO A 19 -2.403 -3.851 -8.326 1.00 0.00 C ATOM 0 HA PRO A 19 -5.176 -4.947 -7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.108 -6.801 -6.972 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.857 -6.328 -8.484 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.288 -5.345 -7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.620 -5.761 -8.925 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.586 -3.173 -8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.638 -3.698 -9.379 1.00 0.00 H new ATOM 231 N GLY A 20 -2.646 -4.595 -4.966 1.00 0.00 N ATOM 232 CA GLY A 20 -2.310 -4.640 -3.554 1.00 0.00 C ATOM 233 C GLY A 20 -3.272 -3.834 -2.704 1.00 0.00 C ATOM 234 O GLY A 20 -3.272 -3.946 -1.477 1.00 0.00 O ATOM 0 H GLY A 20 -1.892 -4.278 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.312 -5.676 -3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.298 -4.260 -3.412 1.00 0.00 H new ATOM 238 N LEU A 21 -4.094 -3.018 -3.355 1.00 0.00 N ATOM 239 CA LEU A 21 -5.065 -2.188 -2.650 1.00 0.00 C ATOM 240 C LEU A 21 -6.487 -2.672 -2.913 1.00 0.00 C ATOM 241 O LEU A 21 -7.392 -2.437 -2.112 1.00 0.00 O ATOM 242 CB LEU A 21 -4.923 -0.727 -3.080 1.00 0.00 C ATOM 243 CG LEU A 21 -3.502 -0.162 -3.083 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.455 1.161 -3.831 1.00 0.00 C ATOM 245 CD2 LEU A 21 -2.993 0.008 -1.659 1.00 0.00 C ATOM 0 H LEU A 21 -4.108 -2.913 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.866 -2.267 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.336 -0.623 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.535 -0.114 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.851 -0.869 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.436 1.548 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.777 1.008 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.119 1.877 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.980 0.411 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.645 0.694 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.988 -0.959 -1.156 1.00 0.00 H new ATOM 257 N LYS A 22 -6.677 -3.350 -4.040 1.00 0.00 N ATOM 258 CA LYS A 22 -7.988 -3.871 -4.408 1.00 0.00 C ATOM 259 C LYS A 22 -8.161 -5.305 -3.917 1.00 0.00 C ATOM 260 O LYS A 22 -9.008 -5.582 -3.068 1.00 0.00 O ATOM 261 CB LYS A 22 -8.175 -3.814 -5.926 1.00 0.00 C ATOM 262 CG LYS A 22 -9.610 -4.037 -6.371 1.00 0.00 C ATOM 263 CD LYS A 22 -9.725 -4.071 -7.886 1.00 0.00 C ATOM 264 CE LYS A 22 -9.942 -2.679 -8.459 1.00 0.00 C ATOM 265 NZ LYS A 22 -8.676 -1.896 -8.507 1.00 0.00 N ATOM 0 H LYS A 22 -5.939 -3.552 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.745 -3.249 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.838 -2.843 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.538 -4.567 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.979 -4.975 -5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.242 -3.242 -5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.819 -4.504 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.553 -4.718 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.357 -2.760 -9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.675 -2.147 -7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.683 -1.275 -9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.592 -1.318 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.867 -2.547 -8.567 1.00 0.00 H new ATOM 279 N GLU A 23 -7.353 -6.212 -4.457 1.00 0.00 N ATOM 280 CA GLU A 23 -7.417 -7.617 -4.072 1.00 0.00 C ATOM 281 C GLU A 23 -6.019 -8.184 -3.847 1.00 0.00 C ATOM 282 O GLU A 23 -5.083 -7.868 -4.582 1.00 0.00 O ATOM 283 CB GLU A 23 -8.142 -8.430 -5.147 1.00 0.00 C ATOM 284 CG GLU A 23 -7.884 -9.925 -5.057 1.00 0.00 C ATOM 285 CD GLU A 23 -8.648 -10.582 -3.925 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.869 -10.794 -4.077 1.00 0.00 O ATOM 287 OE2 GLU A 23 -8.025 -10.885 -2.886 1.00 0.00 O ATOM 0 H GLU A 23 -6.647 -5.999 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.973 -7.686 -3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.214 -8.249 -5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.832 -8.075 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.163 -10.395 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.817 -10.098 -4.918 1.00 0.00 H new ATOM 294 N ALA A 24 -5.884 -9.024 -2.826 1.00 0.00 N ATOM 295 CA ALA A 24 -4.602 -9.637 -2.504 1.00 0.00 C ATOM 296 C ALA A 24 -4.763 -11.123 -2.203 1.00 0.00 C ATOM 297 O ALA A 24 -5.881 -11.623 -2.077 1.00 0.00 O ATOM 298 CB ALA A 24 -3.958 -8.924 -1.324 1.00 0.00 C ATOM 0 H ALA A 24 -6.648 -9.296 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.952 -9.538 -3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.001 -9.392 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.798 -7.876 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.613 -8.993 -0.456 1.00 0.00 H new ATOM 304 N PHE A 25 -3.640 -11.825 -2.090 1.00 0.00 N ATOM 305 CA PHE A 25 -3.658 -13.255 -1.805 1.00 0.00 C ATOM 306 C PHE A 25 -2.556 -13.626 -0.816 1.00 0.00 C ATOM 307 O PHE A 25 -1.651 -12.835 -0.551 1.00 0.00 O ATOM 308 CB PHE A 25 -3.490 -14.056 -3.098 1.00 0.00 C ATOM 309 CG PHE A 25 -4.776 -14.264 -3.845 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.245 -13.302 -4.725 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.515 -15.423 -3.668 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.428 -13.492 -5.413 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.699 -15.618 -4.354 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.156 -14.651 -5.229 1.00 0.00 C ATOM 0 H PHE A 25 -2.706 -11.427 -2.191 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.621 -13.499 -1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.782 -13.540 -3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.056 -15.027 -2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.680 -12.394 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.162 -16.182 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.784 -12.734 -6.095 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.266 -16.525 -4.206 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.080 -14.801 -5.768 1.00 0.00 H new ATOM 324 N THR A 26 -2.640 -14.836 -0.273 1.00 0.00 N ATOM 325 CA THR A 26 -1.653 -15.313 0.688 1.00 0.00 C ATOM 326 C THR A 26 -0.381 -15.774 -0.014 1.00 0.00 C ATOM 327 O THR A 26 -0.435 -16.520 -0.990 1.00 0.00 O ATOM 328 CB THR A 26 -2.208 -16.474 1.534 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.579 -17.566 0.685 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.413 -16.025 2.346 1.00 0.00 C ATOM 0 H THR A 26 -3.382 -15.504 -0.482 1.00 0.00 H new ATOM 0 HA THR A 26 -1.420 -14.474 1.344 1.00 0.00 H new ATOM 0 HB THR A 26 -1.427 -16.798 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.989 -17.587 -0.097 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.787 -16.862 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.121 -15.214 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.196 -15.677 1.673 1.00 0.00 H new ATOM 338 N ASN A 27 0.764 -15.324 0.490 1.00 0.00 N ATOM 339 CA ASN A 27 2.050 -15.690 -0.090 1.00 0.00 C ATOM 340 C ASN A 27 2.111 -15.308 -1.566 1.00 0.00 C ATOM 341 O ASN A 27 2.731 -16.001 -2.373 1.00 0.00 O ATOM 342 CB ASN A 27 2.296 -17.192 0.070 1.00 0.00 C ATOM 343 CG ASN A 27 2.382 -17.612 1.525 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.379 -18.190 1.958 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.333 -17.323 2.286 1.00 0.00 N ATOM 0 H ASN A 27 0.827 -14.705 1.299 1.00 0.00 H new ATOM 0 HA ASN A 27 2.828 -15.142 0.441 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.492 -17.743 -0.417 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.221 -17.462 -0.439 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.332 -17.581 3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.528 -16.843 1.884 1.00 0.00 H new ATOM 352 N LYS A 28 1.464 -14.201 -1.912 1.00 0.00 N ATOM 353 CA LYS A 28 1.444 -13.724 -3.289 1.00 0.00 C ATOM 354 C LYS A 28 1.972 -12.295 -3.378 1.00 0.00 C ATOM 355 O LYS A 28 1.751 -11.470 -2.492 1.00 0.00 O ATOM 356 CB LYS A 28 0.023 -13.789 -3.853 1.00 0.00 C ATOM 357 CG LYS A 28 -0.384 -15.177 -4.317 1.00 0.00 C ATOM 358 CD LYS A 28 -1.407 -15.112 -5.439 1.00 0.00 C ATOM 359 CE LYS A 28 -1.336 -16.343 -6.330 1.00 0.00 C ATOM 360 NZ LYS A 28 -2.028 -16.127 -7.631 1.00 0.00 N ATOM 0 H LYS A 28 0.946 -13.616 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 28 2.093 -14.370 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.678 -13.450 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.059 -13.096 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.497 -15.721 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.798 -15.735 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.408 -15.025 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.235 -14.218 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.292 -16.600 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.788 -17.191 -5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.957 -16.989 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.030 -15.907 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.581 -15.334 -8.135 1.00 0.00 H new ATOM 374 N PRO A 29 2.687 -11.995 -4.472 1.00 0.00 N ATOM 375 CA PRO A 29 3.260 -10.665 -4.703 1.00 0.00 C ATOM 376 C PRO A 29 2.192 -9.617 -4.994 1.00 0.00 C ATOM 377 O PRO A 29 1.595 -9.607 -6.069 1.00 0.00 O ATOM 378 CB PRO A 29 4.154 -10.872 -5.929 1.00 0.00 C ATOM 379 CG PRO A 29 3.559 -12.039 -6.639 1.00 0.00 C ATOM 380 CD PRO A 29 2.991 -12.930 -5.569 1.00 0.00 C ATOM 0 HA PRO A 29 3.793 -10.293 -3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.166 -9.986 -6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.186 -11.070 -5.638 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.782 -11.719 -7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.313 -12.565 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.097 -13.451 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.706 -13.693 -5.260 1.00 0.00 H new ATOM 388 N ASN A 30 1.957 -8.735 -4.027 1.00 0.00 N ATOM 389 CA ASN A 30 0.960 -7.681 -4.180 1.00 0.00 C ATOM 390 C ASN A 30 1.617 -6.304 -4.165 1.00 0.00 C ATOM 391 O ASN A 30 2.240 -5.913 -3.178 1.00 0.00 O ATOM 392 CB ASN A 30 -0.083 -7.773 -3.065 1.00 0.00 C ATOM 393 CG ASN A 30 -0.335 -9.202 -2.624 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.095 -9.934 -3.258 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.303 -9.605 -1.532 1.00 0.00 N ATOM 0 H ASN A 30 2.443 -8.729 -3.130 1.00 0.00 H new ATOM 0 HA ASN A 30 0.467 -7.818 -5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.251 -7.185 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.018 -7.332 -3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.173 -10.556 -1.187 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.924 -8.964 -1.038 1.00 0.00 H new ATOM 402 N VAL A 31 1.473 -5.574 -5.266 1.00 0.00 N ATOM 403 CA VAL A 31 2.050 -4.240 -5.380 1.00 0.00 C ATOM 404 C VAL A 31 0.985 -3.208 -5.732 1.00 0.00 C ATOM 405 O VAL A 31 -0.163 -3.555 -6.009 1.00 0.00 O ATOM 406 CB VAL A 31 3.162 -4.199 -6.446 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.212 -5.263 -6.164 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.572 -4.375 -7.837 1.00 0.00 C ATOM 0 H VAL A 31 0.961 -5.884 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 31 2.479 -3.997 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 31 3.648 -3.224 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.989 -5.219 -6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.655 -5.086 -5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.745 -6.248 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.371 -4.344 -8.578 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.060 -5.335 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.862 -3.572 -8.035 1.00 0.00 H new ATOM 418 N PHE A 32 1.373 -1.937 -5.720 1.00 0.00 N ATOM 419 CA PHE A 32 0.451 -0.853 -6.038 1.00 0.00 C ATOM 420 C PHE A 32 1.211 0.412 -6.424 1.00 0.00 C ATOM 421 O PHE A 32 2.322 0.652 -5.949 1.00 0.00 O ATOM 422 CB PHE A 32 -0.465 -0.568 -4.846 1.00 0.00 C ATOM 423 CG PHE A 32 0.254 -0.555 -3.527 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.943 0.573 -3.110 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.242 -1.670 -2.705 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.605 0.589 -1.897 1.00 0.00 C ATOM 427 CE2 PHE A 32 0.902 -1.660 -1.491 1.00 0.00 C ATOM 428 CZ PHE A 32 1.586 -0.530 -1.087 1.00 0.00 C ATOM 0 H PHE A 32 2.320 -1.632 -5.493 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.157 -1.164 -6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.952 0.396 -4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.252 -1.322 -4.814 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.963 1.450 -3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.289 -2.557 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.136 1.475 -1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.883 -2.535 -0.858 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.105 -0.521 -0.140 1.00 0.00 H new ATOM 438 N THR A 33 0.605 1.220 -7.289 1.00 0.00 N ATOM 439 CA THR A 33 1.224 2.459 -7.740 1.00 0.00 C ATOM 440 C THR A 33 0.901 3.611 -6.795 1.00 0.00 C ATOM 441 O THR A 33 -0.262 3.853 -6.470 1.00 0.00 O ATOM 442 CB THR A 33 0.764 2.832 -9.162 1.00 0.00 C ATOM 443 OG1 THR A 33 1.007 1.741 -10.057 1.00 0.00 O ATOM 444 CG2 THR A 33 1.490 4.073 -9.658 1.00 0.00 C ATOM 0 H THR A 33 -0.315 1.038 -7.691 1.00 0.00 H new ATOM 0 HA THR A 33 2.301 2.290 -7.747 1.00 0.00 H new ATOM 0 HB THR A 33 -0.305 3.045 -9.130 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.710 1.985 -10.959 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.148 4.317 -10.664 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.279 4.909 -8.991 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.563 3.884 -9.675 1.00 0.00 H new ATOM 452 N VAL A 34 1.937 4.320 -6.358 1.00 0.00 N ATOM 453 CA VAL A 34 1.762 5.449 -5.451 1.00 0.00 C ATOM 454 C VAL A 34 2.245 6.746 -6.089 1.00 0.00 C ATOM 455 O VAL A 34 3.448 6.980 -6.213 1.00 0.00 O ATOM 456 CB VAL A 34 2.519 5.227 -4.128 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.104 6.265 -3.095 1.00 0.00 C ATOM 458 CG2 VAL A 34 2.278 3.819 -3.606 1.00 0.00 C ATOM 0 H VAL A 34 2.906 4.133 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 34 0.695 5.526 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 34 3.586 5.342 -4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.649 6.093 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.332 7.263 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.033 6.184 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.820 3.680 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.212 3.673 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.629 3.094 -4.340 1.00 0.00 H new ATOM 468 N VAL A 35 1.300 7.589 -6.493 1.00 0.00 N ATOM 469 CA VAL A 35 1.629 8.864 -7.117 1.00 0.00 C ATOM 470 C VAL A 35 1.922 9.931 -6.068 1.00 0.00 C ATOM 471 O VAL A 35 1.007 10.490 -5.462 1.00 0.00 O ATOM 472 CB VAL A 35 0.486 9.355 -8.027 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.838 10.697 -8.650 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.181 8.323 -9.102 1.00 0.00 C ATOM 0 H VAL A 35 0.300 7.411 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 35 2.521 8.699 -7.722 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.408 9.488 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.019 11.027 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.003 11.432 -7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.745 10.595 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.628 8.686 -9.736 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.071 8.157 -9.709 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.118 7.386 -8.632 1.00 0.00 H new ATOM 484 N THR A 36 3.205 10.208 -5.857 1.00 0.00 N ATOM 485 CA THR A 36 3.619 11.207 -4.880 1.00 0.00 C ATOM 486 C THR A 36 4.409 12.330 -5.543 1.00 0.00 C ATOM 487 O THR A 36 5.432 12.774 -5.021 1.00 0.00 O ATOM 488 CB THR A 36 4.478 10.580 -3.765 1.00 0.00 C ATOM 489 OG1 THR A 36 5.333 9.571 -4.314 1.00 0.00 O ATOM 490 CG2 THR A 36 3.599 9.973 -2.682 1.00 0.00 C ATOM 0 H THR A 36 3.975 9.755 -6.349 1.00 0.00 H new ATOM 0 HA THR A 36 2.709 11.616 -4.441 1.00 0.00 H new ATOM 0 HB THR A 36 5.086 11.367 -3.319 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.877 9.179 -3.599 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.227 9.536 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.970 10.749 -2.246 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.969 9.198 -3.117 1.00 0.00 H new ATOM 498 N ARG A 37 3.927 12.786 -6.694 1.00 0.00 N ATOM 499 CA ARG A 37 4.589 13.857 -7.429 1.00 0.00 C ATOM 500 C ARG A 37 4.676 15.124 -6.582 1.00 0.00 C ATOM 501 O ARG A 37 5.744 15.477 -6.084 1.00 0.00 O ATOM 502 CB ARG A 37 3.839 14.152 -8.729 1.00 0.00 C ATOM 503 CG ARG A 37 4.216 13.225 -9.873 1.00 0.00 C ATOM 504 CD ARG A 37 5.452 13.720 -10.607 1.00 0.00 C ATOM 505 NE ARG A 37 5.576 13.123 -11.934 1.00 0.00 N ATOM 506 CZ ARG A 37 6.471 13.514 -12.835 1.00 0.00 C ATOM 507 NH1 ARG A 37 7.316 14.496 -12.552 1.00 0.00 N ATOM 508 NH2 ARG A 37 6.523 12.921 -14.021 1.00 0.00 N ATOM 0 H ARG A 37 3.080 12.431 -7.138 1.00 0.00 H new ATOM 0 HA ARG A 37 5.601 13.528 -7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.767 14.073 -8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.036 15.182 -9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.399 12.223 -9.485 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.383 13.150 -10.571 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.408 14.805 -10.700 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.340 13.486 -10.020 1.00 0.00 H new ATOM 0 HE ARG A 37 4.941 12.365 -12.183 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.280 14.953 -11.641 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.002 14.794 -13.245 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.876 12.164 -14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.210 13.222 -14.712 1.00 0.00 H new ATOM 522 N GLY A 38 3.544 15.803 -6.424 1.00 0.00 N ATOM 523 CA GLY A 38 3.515 17.023 -5.637 1.00 0.00 C ATOM 524 C GLY A 38 2.959 16.801 -4.244 1.00 0.00 C ATOM 525 O GLY A 38 2.087 17.542 -3.792 1.00 0.00 O ATOM 0 H GLY A 38 2.647 15.531 -6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.524 17.427 -5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.910 17.770 -6.152 1.00 0.00 H new ATOM 529 N ALA A 39 3.464 15.778 -3.563 1.00 0.00 N ATOM 530 CA ALA A 39 3.013 15.461 -2.214 1.00 0.00 C ATOM 531 C ALA A 39 3.832 16.213 -1.170 1.00 0.00 C ATOM 532 O ALA A 39 3.620 16.055 0.031 1.00 0.00 O ATOM 533 CB ALA A 39 3.091 13.962 -1.970 1.00 0.00 C ATOM 0 H ALA A 39 4.186 15.154 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 39 1.975 15.779 -2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.751 13.740 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.456 13.443 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.122 13.627 -2.088 1.00 0.00 H new ATOM 539 N GLY A 40 4.770 17.032 -1.638 1.00 0.00 N ATOM 540 CA GLY A 40 5.608 17.795 -0.732 1.00 0.00 C ATOM 541 C GLY A 40 6.898 17.076 -0.390 1.00 0.00 C ATOM 542 O GLY A 40 6.933 15.847 -0.328 1.00 0.00 O ATOM 0 H GLY A 40 4.964 17.180 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.842 18.759 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.055 17.998 0.185 1.00 0.00 H new ATOM 546 N ILE A 41 7.960 17.843 -0.171 1.00 0.00 N ATOM 547 CA ILE A 41 9.258 17.271 0.165 1.00 0.00 C ATOM 548 C ILE A 41 9.246 16.662 1.563 1.00 0.00 C ATOM 549 O ILE A 41 9.426 17.363 2.558 1.00 0.00 O ATOM 550 CB ILE A 41 10.376 18.328 0.087 1.00 0.00 C ATOM 551 CG1 ILE A 41 10.536 18.828 -1.350 1.00 0.00 C ATOM 552 CG2 ILE A 41 11.686 17.751 0.602 1.00 0.00 C ATOM 553 CD1 ILE A 41 10.428 17.732 -2.387 1.00 0.00 C ATOM 0 H ILE A 41 7.948 18.862 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 41 9.457 16.489 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 41 10.101 19.174 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.775 19.583 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 41 11.505 19.317 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.467 18.509 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.563 17.439 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.968 16.890 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.551 18.159 -3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.205 16.988 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.449 17.258 -2.314 1.00 0.00 H new ATOM 565 N GLY A 42 9.033 15.352 1.630 1.00 0.00 N ATOM 566 CA GLY A 42 9.002 14.669 2.911 1.00 0.00 C ATOM 567 C GLY A 42 9.341 13.197 2.791 1.00 0.00 C ATOM 568 O GLY A 42 10.074 12.793 1.890 1.00 0.00 O ATOM 0 H GLY A 42 8.881 14.751 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.707 15.147 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.011 14.776 3.352 1.00 0.00 H new ATOM 572 N GLY A 43 8.808 12.392 3.706 1.00 0.00 N ATOM 573 CA GLY A 43 9.072 10.965 3.683 1.00 0.00 C ATOM 574 C GLY A 43 7.809 10.145 3.509 1.00 0.00 C ATOM 575 O GLY A 43 6.700 10.663 3.646 1.00 0.00 O ATOM 0 H GLY A 43 8.198 12.703 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.763 10.739 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.565 10.675 4.611 1.00 0.00 H new ATOM 579 N LEU A 44 7.976 8.863 3.205 1.00 0.00 N ATOM 580 CA LEU A 44 6.839 7.969 3.010 1.00 0.00 C ATOM 581 C LEU A 44 6.961 6.733 3.896 1.00 0.00 C ATOM 582 O LEU A 44 7.998 6.070 3.914 1.00 0.00 O ATOM 583 CB LEU A 44 6.739 7.551 1.542 1.00 0.00 C ATOM 584 CG LEU A 44 5.643 6.540 1.205 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.272 7.108 1.541 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.713 6.147 -0.263 1.00 0.00 C ATOM 0 H LEU A 44 8.887 8.419 3.088 1.00 0.00 H new ATOM 0 HA LEU A 44 5.933 8.506 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.578 8.446 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.698 7.132 1.238 1.00 0.00 H new ATOM 0 HG LEU A 44 5.802 5.646 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.504 6.375 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.225 7.339 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.104 8.017 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.925 5.427 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.580 7.033 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.684 5.699 -0.474 1.00 0.00 H new ATOM 598 N GLY A 45 5.894 6.427 4.627 1.00 0.00 N ATOM 599 CA GLY A 45 5.901 5.270 5.502 1.00 0.00 C ATOM 600 C GLY A 45 4.770 4.307 5.201 1.00 0.00 C ATOM 601 O GLY A 45 3.664 4.457 5.720 1.00 0.00 O ATOM 0 H GLY A 45 5.024 6.960 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.853 4.749 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.826 5.601 6.538 1.00 0.00 H new ATOM 605 N ILE A 46 5.046 3.318 4.358 1.00 0.00 N ATOM 606 CA ILE A 46 4.042 2.328 3.988 1.00 0.00 C ATOM 607 C ILE A 46 4.211 1.045 4.795 1.00 0.00 C ATOM 608 O ILE A 46 5.280 0.434 4.796 1.00 0.00 O ATOM 609 CB ILE A 46 4.112 1.989 2.487 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.968 3.260 1.648 1.00 0.00 C ATOM 611 CG2 ILE A 46 3.034 0.980 2.121 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.442 3.099 0.221 1.00 0.00 C ATOM 0 H ILE A 46 5.956 3.181 3.918 1.00 0.00 H new ATOM 0 HA ILE A 46 3.069 2.768 4.208 1.00 0.00 H new ATOM 0 HB ILE A 46 5.084 1.545 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.922 3.565 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.532 4.064 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.096 0.751 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.179 0.067 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.053 1.399 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.310 4.039 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.497 2.824 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.861 2.318 -0.269 1.00 0.00 H new ATOM 624 N THR A 47 3.147 0.640 5.482 1.00 0.00 N ATOM 625 CA THR A 47 3.176 -0.570 6.294 1.00 0.00 C ATOM 626 C THR A 47 1.888 -1.370 6.134 1.00 0.00 C ATOM 627 O THR A 47 0.847 -0.823 5.771 1.00 0.00 O ATOM 628 CB THR A 47 3.382 -0.242 7.784 1.00 0.00 C ATOM 629 OG1 THR A 47 2.596 0.898 8.149 1.00 0.00 O ATOM 630 CG2 THR A 47 4.849 0.032 8.080 1.00 0.00 C ATOM 0 H THR A 47 2.254 1.133 5.492 1.00 0.00 H new ATOM 0 HA THR A 47 4.017 -1.167 5.942 1.00 0.00 H new ATOM 0 HB THR A 47 3.064 -1.104 8.370 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.732 1.098 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.970 0.261 9.139 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.441 -0.848 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.188 0.879 7.484 1.00 0.00 H new ATOM 638 N VAL A 48 1.965 -2.668 6.409 1.00 0.00 N ATOM 639 CA VAL A 48 0.804 -3.543 6.298 1.00 0.00 C ATOM 640 C VAL A 48 0.469 -4.184 7.640 1.00 0.00 C ATOM 641 O VAL A 48 1.354 -4.659 8.350 1.00 0.00 O ATOM 642 CB VAL A 48 1.036 -4.653 5.256 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.004 -5.753 5.406 1.00 0.00 C ATOM 644 CG2 VAL A 48 1.013 -4.075 3.849 1.00 0.00 C ATOM 0 H VAL A 48 2.819 -3.137 6.710 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.032 -2.921 5.976 1.00 0.00 H new ATOM 0 HB VAL A 48 2.019 -5.090 5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.176 -6.528 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.065 -6.186 6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.000 -5.335 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.179 -4.873 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.045 -3.611 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.799 -3.327 3.750 1.00 0.00 H new ATOM 654 N GLU A 49 -0.816 -4.193 7.981 1.00 0.00 N ATOM 655 CA GLU A 49 -1.268 -4.775 9.239 1.00 0.00 C ATOM 656 C GLU A 49 -2.284 -5.886 8.990 1.00 0.00 C ATOM 657 O GLU A 49 -3.130 -5.782 8.103 1.00 0.00 O ATOM 658 CB GLU A 49 -1.884 -3.697 10.133 1.00 0.00 C ATOM 659 CG GLU A 49 -0.879 -3.017 11.048 1.00 0.00 C ATOM 660 CD GLU A 49 -0.735 -3.722 12.382 1.00 0.00 C ATOM 661 OE1 GLU A 49 -1.595 -3.510 13.262 1.00 0.00 O ATOM 662 OE2 GLU A 49 0.239 -4.487 12.547 1.00 0.00 O ATOM 0 H GLU A 49 -1.562 -3.804 7.404 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.402 -5.204 9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.358 -2.943 9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.670 -4.146 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.092 -2.982 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.188 -1.986 11.218 1.00 0.00 H new ATOM 669 N GLY A 50 -2.193 -6.952 9.781 1.00 0.00 N ATOM 670 CA GLY A 50 -3.108 -8.067 9.630 1.00 0.00 C ATOM 671 C GLY A 50 -2.849 -9.170 10.638 1.00 0.00 C ATOM 672 O GLY A 50 -2.076 -9.008 11.582 1.00 0.00 O ATOM 0 H GLY A 50 -1.502 -7.062 10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.132 -7.710 9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.019 -8.472 8.622 1.00 0.00 H new ATOM 676 N PRO A 51 -3.508 -10.322 10.443 1.00 0.00 N ATOM 677 CA PRO A 51 -3.361 -11.478 11.333 1.00 0.00 C ATOM 678 C PRO A 51 -1.988 -12.129 11.216 1.00 0.00 C ATOM 679 O PRO A 51 -1.698 -13.114 11.894 1.00 0.00 O ATOM 680 CB PRO A 51 -4.451 -12.438 10.849 1.00 0.00 C ATOM 681 CG PRO A 51 -4.676 -12.069 9.423 1.00 0.00 C ATOM 682 CD PRO A 51 -4.445 -10.585 9.338 1.00 0.00 C ATOM 0 HA PRO A 51 -3.454 -11.199 12.383 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.134 -13.477 10.944 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.364 -12.328 11.435 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.992 -12.609 8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.688 -12.325 9.109 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.022 -10.299 8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.373 -10.026 9.457 1.00 0.00 H new ATOM 690 N SER A 52 -1.146 -11.573 10.351 1.00 0.00 N ATOM 691 CA SER A 52 0.197 -12.102 10.143 1.00 0.00 C ATOM 692 C SER A 52 1.123 -11.029 9.577 1.00 0.00 C ATOM 693 O SER A 52 0.675 -10.103 8.902 1.00 0.00 O ATOM 694 CB SER A 52 0.153 -13.304 9.198 1.00 0.00 C ATOM 695 OG SER A 52 -0.085 -12.895 7.863 1.00 0.00 O ATOM 0 H SER A 52 -1.370 -10.756 9.783 1.00 0.00 H new ATOM 0 HA SER A 52 0.588 -12.422 11.109 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.096 -13.848 9.252 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.630 -13.992 9.516 1.00 0.00 H new ATOM 0 HG SER A 52 -0.972 -12.484 7.800 1.00 0.00 H new ATOM 701 N GLU A 53 2.415 -11.163 9.858 1.00 0.00 N ATOM 702 CA GLU A 53 3.404 -10.205 9.378 1.00 0.00 C ATOM 703 C GLU A 53 3.685 -10.411 7.893 1.00 0.00 C ATOM 704 O GLU A 53 4.097 -11.493 7.473 1.00 0.00 O ATOM 705 CB GLU A 53 4.702 -10.334 10.177 1.00 0.00 C ATOM 706 CG GLU A 53 4.735 -9.473 11.429 1.00 0.00 C ATOM 707 CD GLU A 53 5.680 -10.014 12.484 1.00 0.00 C ATOM 708 OE1 GLU A 53 6.842 -10.318 12.141 1.00 0.00 O ATOM 709 OE2 GLU A 53 5.258 -10.132 13.653 1.00 0.00 O ATOM 0 H GLU A 53 2.801 -11.925 10.415 1.00 0.00 H new ATOM 0 HA GLU A 53 2.999 -9.203 9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.842 -11.377 10.460 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.541 -10.062 9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.037 -8.460 11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.730 -9.406 11.846 1.00 0.00 H new ATOM 716 N SER A 54 3.458 -9.367 7.102 1.00 0.00 N ATOM 717 CA SER A 54 3.683 -9.434 5.663 1.00 0.00 C ATOM 718 C SER A 54 5.044 -8.849 5.298 1.00 0.00 C ATOM 719 O SER A 54 5.474 -7.845 5.865 1.00 0.00 O ATOM 720 CB SER A 54 2.576 -8.686 4.917 1.00 0.00 C ATOM 721 OG SER A 54 1.297 -9.178 5.276 1.00 0.00 O ATOM 0 H SER A 54 3.118 -8.464 7.434 1.00 0.00 H new ATOM 0 HA SER A 54 3.667 -10.483 5.366 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.636 -7.621 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.721 -8.792 3.842 1.00 0.00 H new ATOM 0 HG SER A 54 0.607 -8.683 4.787 1.00 0.00 H new ATOM 727 N LYS A 55 5.717 -9.485 4.345 1.00 0.00 N ATOM 728 CA LYS A 55 7.029 -9.029 3.901 1.00 0.00 C ATOM 729 C LYS A 55 6.900 -7.847 2.946 1.00 0.00 C ATOM 730 O LYS A 55 6.627 -8.024 1.758 1.00 0.00 O ATOM 731 CB LYS A 55 7.784 -10.171 3.216 1.00 0.00 C ATOM 732 CG LYS A 55 8.617 -11.008 4.171 1.00 0.00 C ATOM 733 CD LYS A 55 9.567 -11.928 3.423 1.00 0.00 C ATOM 734 CE LYS A 55 8.897 -13.242 3.054 1.00 0.00 C ATOM 735 NZ LYS A 55 9.584 -13.916 1.918 1.00 0.00 N ATOM 0 H LYS A 55 5.375 -10.318 3.865 1.00 0.00 H new ATOM 0 HA LYS A 55 7.589 -8.705 4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.067 -10.818 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.436 -9.755 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.187 -10.352 4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.958 -11.601 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.919 -11.432 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.444 -12.126 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.894 -13.904 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.856 -13.057 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.097 -14.808 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.565 -13.296 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.571 -14.116 2.178 1.00 0.00 H new ATOM 749 N ILE A 56 7.098 -6.643 3.472 1.00 0.00 N ATOM 750 CA ILE A 56 7.005 -5.433 2.664 1.00 0.00 C ATOM 751 C ILE A 56 8.364 -5.053 2.086 1.00 0.00 C ATOM 752 O ILE A 56 9.399 -5.260 2.718 1.00 0.00 O ATOM 753 CB ILE A 56 6.460 -4.249 3.485 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.957 -4.412 3.719 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.752 -2.934 2.777 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.420 -3.536 4.829 1.00 0.00 C ATOM 0 H ILE A 56 7.324 -6.479 4.453 1.00 0.00 H new ATOM 0 HA ILE A 56 6.314 -5.649 1.850 1.00 0.00 H new ATOM 0 HB ILE A 56 6.960 -4.236 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.426 -4.180 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.745 -5.455 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.361 -2.107 3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.829 -2.817 2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.276 -2.935 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.349 -3.704 4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.924 -3.783 5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.600 -2.489 4.586 1.00 0.00 H new ATOM 768 N ASN A 57 8.352 -4.493 0.880 1.00 0.00 N ATOM 769 CA ASN A 57 9.584 -4.083 0.216 1.00 0.00 C ATOM 770 C ASN A 57 9.330 -2.908 -0.723 1.00 0.00 C ATOM 771 O ASN A 57 8.652 -3.049 -1.741 1.00 0.00 O ATOM 772 CB ASN A 57 10.182 -5.254 -0.565 1.00 0.00 C ATOM 773 CG ASN A 57 10.731 -6.336 0.345 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.699 -6.118 1.073 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.112 -7.510 0.308 1.00 0.00 N ATOM 0 H ASN A 57 7.503 -4.313 0.343 1.00 0.00 H new ATOM 0 HA ASN A 57 10.292 -3.767 0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.418 -5.682 -1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.980 -4.887 -1.211 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.436 -8.276 0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.313 -7.646 -0.311 1.00 0.00 H new ATOM 782 N CYS A 58 9.879 -1.749 -0.374 1.00 0.00 N ATOM 783 CA CYS A 58 9.711 -0.549 -1.186 1.00 0.00 C ATOM 784 C CYS A 58 10.794 -0.461 -2.257 1.00 0.00 C ATOM 785 O CYS A 58 11.864 -1.054 -2.121 1.00 0.00 O ATOM 786 CB CYS A 58 9.749 0.699 -0.302 1.00 0.00 C ATOM 787 SG CYS A 58 8.807 2.096 -0.958 1.00 0.00 S ATOM 0 H CYS A 58 10.444 -1.615 0.465 1.00 0.00 H new ATOM 0 HA CYS A 58 8.741 -0.607 -1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.362 0.444 0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.787 1.005 -0.168 1.00 0.00 H new ATOM 0 HG CYS A 58 8.229 1.746 -2.069 1.00 0.00 H new ATOM 793 N ARG A 59 10.508 0.281 -3.321 1.00 0.00 N ATOM 794 CA ARG A 59 11.456 0.443 -4.417 1.00 0.00 C ATOM 795 C ARG A 59 11.608 1.915 -4.790 1.00 0.00 C ATOM 796 O ARG A 59 10.694 2.715 -4.588 1.00 0.00 O ATOM 797 CB ARG A 59 11.000 -0.359 -5.637 1.00 0.00 C ATOM 798 CG ARG A 59 12.146 -0.834 -6.516 1.00 0.00 C ATOM 799 CD ARG A 59 11.635 -1.529 -7.769 1.00 0.00 C ATOM 800 NE ARG A 59 12.706 -2.211 -8.491 1.00 0.00 N ATOM 801 CZ ARG A 59 13.278 -3.333 -8.070 1.00 0.00 C ATOM 802 NH1 ARG A 59 12.883 -3.897 -6.937 1.00 0.00 N ATOM 803 NH2 ARG A 59 14.246 -3.894 -8.783 1.00 0.00 N ATOM 0 H ARG A 59 9.627 0.780 -3.448 1.00 0.00 H new ATOM 0 HA ARG A 59 12.424 0.068 -4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.429 -1.224 -5.300 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.326 0.255 -6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.767 0.016 -6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.780 -1.518 -5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.865 -2.251 -7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.165 -0.796 -8.425 1.00 0.00 H new ATOM 0 HE ARG A 59 13.033 -1.803 -9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.138 -3.469 -6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.324 -4.759 -6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.552 -3.463 -9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.685 -4.756 -8.458 1.00 0.00 H new ATOM 817 N ASP A 60 12.769 2.265 -5.334 1.00 0.00 N ATOM 818 CA ASP A 60 13.041 3.640 -5.736 1.00 0.00 C ATOM 819 C ASP A 60 12.904 3.802 -7.247 1.00 0.00 C ATOM 820 O ASP A 60 13.675 3.229 -8.015 1.00 0.00 O ATOM 821 CB ASP A 60 14.445 4.055 -5.292 1.00 0.00 C ATOM 822 CG ASP A 60 14.736 3.667 -3.855 1.00 0.00 C ATOM 823 OD1 ASP A 60 15.178 2.521 -3.628 1.00 0.00 O ATOM 824 OD2 ASP A 60 14.522 4.509 -2.959 1.00 0.00 O ATOM 0 H ASP A 60 13.536 1.615 -5.507 1.00 0.00 H new ATOM 0 HA ASP A 60 12.309 4.286 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 60 15.182 3.591 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.554 5.134 -5.403 1.00 0.00 H new ATOM 829 N ASN A 61 11.915 4.585 -7.665 1.00 0.00 N ATOM 830 CA ASN A 61 11.675 4.821 -9.084 1.00 0.00 C ATOM 831 C ASN A 61 12.199 6.191 -9.504 1.00 0.00 C ATOM 832 O ASN A 61 11.824 7.214 -8.930 1.00 0.00 O ATOM 833 CB ASN A 61 10.181 4.717 -9.394 1.00 0.00 C ATOM 834 CG ASN A 61 9.520 3.558 -8.674 1.00 0.00 C ATOM 835 OD1 ASN A 61 9.932 2.407 -8.818 1.00 0.00 O ATOM 836 ND2 ASN A 61 8.489 3.857 -7.893 1.00 0.00 N ATOM 0 H ASN A 61 11.267 5.067 -7.042 1.00 0.00 H new ATOM 0 HA ASN A 61 12.210 4.058 -9.649 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.688 5.647 -9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.043 4.599 -10.469 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.005 3.118 -7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.181 4.825 -7.803 1.00 0.00 H new ATOM 843 N LYS A 62 13.068 6.204 -10.509 1.00 0.00 N ATOM 844 CA LYS A 62 13.642 7.447 -11.009 1.00 0.00 C ATOM 845 C LYS A 62 12.770 8.047 -12.107 1.00 0.00 C ATOM 846 O LYS A 62 13.277 8.547 -13.112 1.00 0.00 O ATOM 847 CB LYS A 62 15.056 7.201 -11.543 1.00 0.00 C ATOM 848 CG LYS A 62 16.100 7.048 -10.450 1.00 0.00 C ATOM 849 CD LYS A 62 16.501 8.394 -9.869 1.00 0.00 C ATOM 850 CE LYS A 62 17.586 9.059 -10.701 1.00 0.00 C ATOM 851 NZ LYS A 62 17.995 10.373 -10.131 1.00 0.00 N ATOM 0 H LYS A 62 13.390 5.366 -10.994 1.00 0.00 H new ATOM 0 HA LYS A 62 13.690 8.154 -10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.052 6.301 -12.158 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.340 8.030 -12.192 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.707 6.411 -9.657 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.980 6.548 -10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.628 9.045 -9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.856 8.259 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.454 8.402 -10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.226 9.201 -11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.736 10.794 -10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.173 11.009 -10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.362 10.234 -9.168 1.00 0.00 H new ATOM 865 N ASP A 63 11.458 7.996 -11.908 1.00 0.00 N ATOM 866 CA ASP A 63 10.515 8.537 -12.880 1.00 0.00 C ATOM 867 C ASP A 63 9.640 9.614 -12.248 1.00 0.00 C ATOM 868 O ASP A 63 9.564 10.737 -12.744 1.00 0.00 O ATOM 869 CB ASP A 63 9.639 7.420 -13.450 1.00 0.00 C ATOM 870 CG ASP A 63 10.454 6.320 -14.101 1.00 0.00 C ATOM 871 OD1 ASP A 63 11.271 6.635 -14.991 1.00 0.00 O ATOM 872 OD2 ASP A 63 10.275 5.144 -13.721 1.00 0.00 O ATOM 0 H ASP A 63 11.023 7.585 -11.082 1.00 0.00 H new ATOM 0 HA ASP A 63 11.087 8.989 -13.690 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.033 6.994 -12.651 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.951 7.840 -14.183 1.00 0.00 H new ATOM 877 N GLY A 64 8.980 9.263 -11.148 1.00 0.00 N ATOM 878 CA GLY A 64 8.117 10.210 -10.466 1.00 0.00 C ATOM 879 C GLY A 64 7.007 9.530 -9.691 1.00 0.00 C ATOM 880 O GLY A 64 5.860 9.977 -9.713 1.00 0.00 O ATOM 0 H GLY A 64 9.028 8.340 -10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.714 10.815 -9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.681 10.891 -11.197 1.00 0.00 H new ATOM 884 N SER A 65 7.346 8.443 -9.005 1.00 0.00 N ATOM 885 CA SER A 65 6.368 7.696 -8.223 1.00 0.00 C ATOM 886 C SER A 65 7.060 6.781 -7.217 1.00 0.00 C ATOM 887 O SER A 65 8.289 6.726 -7.155 1.00 0.00 O ATOM 888 CB SER A 65 5.470 6.870 -9.147 1.00 0.00 C ATOM 889 OG SER A 65 6.241 6.104 -10.056 1.00 0.00 O ATOM 0 H SER A 65 8.291 8.060 -8.975 1.00 0.00 H new ATOM 0 HA SER A 65 5.755 8.411 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.841 6.208 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.803 7.533 -9.699 1.00 0.00 H new ATOM 0 HG SER A 65 5.644 5.584 -10.634 1.00 0.00 H new ATOM 895 N CYS A 66 6.263 6.066 -6.431 1.00 0.00 N ATOM 896 CA CYS A 66 6.797 5.154 -5.426 1.00 0.00 C ATOM 897 C CYS A 66 6.169 3.771 -5.559 1.00 0.00 C ATOM 898 O CYS A 66 4.964 3.643 -5.776 1.00 0.00 O ATOM 899 CB CYS A 66 6.550 5.708 -4.022 1.00 0.00 C ATOM 900 SG CYS A 66 7.693 5.080 -2.770 1.00 0.00 S ATOM 0 H CYS A 66 5.244 6.100 -6.470 1.00 0.00 H new ATOM 0 HA CYS A 66 7.871 5.062 -5.588 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.624 6.795 -4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.530 5.466 -3.722 1.00 0.00 H new ATOM 0 HG CYS A 66 7.499 3.805 -2.605 1.00 0.00 H new ATOM 906 N SER A 67 6.994 2.737 -5.428 1.00 0.00 N ATOM 907 CA SER A 67 6.521 1.362 -5.538 1.00 0.00 C ATOM 908 C SER A 67 6.701 0.618 -4.219 1.00 0.00 C ATOM 909 O SER A 67 7.717 0.770 -3.541 1.00 0.00 O ATOM 910 CB SER A 67 7.268 0.631 -6.655 1.00 0.00 C ATOM 911 OG SER A 67 6.526 -0.482 -7.122 1.00 0.00 O ATOM 0 H SER A 67 7.994 2.826 -5.245 1.00 0.00 H new ATOM 0 HA SER A 67 5.458 1.388 -5.778 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.457 1.318 -7.480 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.239 0.297 -6.289 1.00 0.00 H new ATOM 0 HG SER A 67 7.024 -0.931 -7.837 1.00 0.00 H new ATOM 917 N ALA A 68 5.706 -0.188 -3.860 1.00 0.00 N ATOM 918 CA ALA A 68 5.755 -0.958 -2.624 1.00 0.00 C ATOM 919 C ALA A 68 5.133 -2.337 -2.811 1.00 0.00 C ATOM 920 O ALA A 68 3.974 -2.456 -3.207 1.00 0.00 O ATOM 921 CB ALA A 68 5.048 -0.205 -1.506 1.00 0.00 C ATOM 0 H ALA A 68 4.857 -0.324 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 68 6.801 -1.095 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.092 -0.791 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.539 0.755 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.006 -0.039 -1.781 1.00 0.00 H new ATOM 927 N GLU A 69 5.911 -3.376 -2.525 1.00 0.00 N ATOM 928 CA GLU A 69 5.436 -4.748 -2.665 1.00 0.00 C ATOM 929 C GLU A 69 5.340 -5.431 -1.304 1.00 0.00 C ATOM 930 O GLU A 69 6.219 -5.275 -0.455 1.00 0.00 O ATOM 931 CB GLU A 69 6.366 -5.543 -3.583 1.00 0.00 C ATOM 932 CG GLU A 69 7.670 -5.955 -2.920 1.00 0.00 C ATOM 933 CD GLU A 69 8.420 -7.008 -3.712 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.100 -8.206 -3.558 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.326 -6.635 -4.486 1.00 0.00 O ATOM 0 H GLU A 69 6.873 -3.294 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 69 4.441 -4.717 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.845 -6.436 -3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.590 -4.944 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.304 -5.077 -2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.460 -6.338 -1.921 1.00 0.00 H new ATOM 942 N TYR A 70 4.268 -6.189 -1.103 1.00 0.00 N ATOM 943 CA TYR A 70 4.055 -6.894 0.155 1.00 0.00 C ATOM 944 C TYR A 70 3.541 -8.309 -0.093 1.00 0.00 C ATOM 945 O TYR A 70 2.884 -8.574 -1.100 1.00 0.00 O ATOM 946 CB TYR A 70 3.065 -6.127 1.033 1.00 0.00 C ATOM 947 CG TYR A 70 1.635 -6.208 0.547 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.832 -7.295 0.870 1.00 0.00 C ATOM 949 CD2 TYR A 70 1.088 -5.198 -0.234 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.474 -7.374 0.427 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.217 -5.268 -0.680 1.00 0.00 C ATOM 952 CZ TYR A 70 -0.995 -6.358 -0.348 1.00 0.00 C ATOM 953 OH TYR A 70 -2.296 -6.432 -0.790 1.00 0.00 O ATOM 0 H TYR A 70 3.533 -6.331 -1.796 1.00 0.00 H new ATOM 0 HA TYR A 70 5.013 -6.960 0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.117 -6.516 2.050 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.366 -5.080 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.236 -8.091 1.478 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.694 -4.343 -0.497 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.084 -8.227 0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.627 -4.473 -1.286 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.631 -5.530 -0.975 1.00 0.00 H new ATOM 963 N ILE A 71 3.846 -9.213 0.832 1.00 0.00 N ATOM 964 CA ILE A 71 3.414 -10.600 0.715 1.00 0.00 C ATOM 965 C ILE A 71 2.975 -11.155 2.065 1.00 0.00 C ATOM 966 O ILE A 71 3.791 -11.443 2.941 1.00 0.00 O ATOM 967 CB ILE A 71 4.533 -11.492 0.145 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.912 -11.035 -1.265 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.096 -12.949 0.135 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.227 -11.601 -1.752 1.00 0.00 C ATOM 0 H ILE A 71 4.390 -9.010 1.670 1.00 0.00 H new ATOM 0 HA ILE A 71 2.567 -10.610 0.028 1.00 0.00 H new ATOM 0 HB ILE A 71 5.411 -11.400 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.122 -11.327 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.966 -9.946 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.897 -13.566 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.871 -13.268 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.206 -13.058 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.431 -11.234 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.028 -11.288 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.171 -12.689 -1.767 1.00 0.00 H new ATOM 982 N PRO A 72 1.655 -11.312 2.240 1.00 0.00 N ATOM 983 CA PRO A 72 1.077 -11.836 3.481 1.00 0.00 C ATOM 984 C PRO A 72 1.378 -13.318 3.680 1.00 0.00 C ATOM 985 O PRO A 72 1.875 -13.988 2.774 1.00 0.00 O ATOM 986 CB PRO A 72 -0.426 -11.617 3.293 1.00 0.00 C ATOM 987 CG PRO A 72 -0.624 -11.598 1.816 1.00 0.00 C ATOM 988 CD PRO A 72 0.624 -10.990 1.239 1.00 0.00 C ATOM 0 HA PRO A 72 1.487 -11.342 4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.004 -12.415 3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.750 -10.681 3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.782 -12.605 1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.503 -11.013 1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.864 -11.414 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.520 -9.914 1.101 1.00 0.00 H new ATOM 996 N PHE A 73 1.074 -13.824 4.871 1.00 0.00 N ATOM 997 CA PHE A 73 1.313 -15.227 5.189 1.00 0.00 C ATOM 998 C PHE A 73 0.013 -15.926 5.575 1.00 0.00 C ATOM 999 O PHE A 73 -0.059 -17.154 5.602 1.00 0.00 O ATOM 1000 CB PHE A 73 2.329 -15.348 6.327 1.00 0.00 C ATOM 1001 CG PHE A 73 3.702 -14.861 5.960 1.00 0.00 C ATOM 1002 CD1 PHE A 73 3.900 -13.555 5.544 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.794 -15.711 6.030 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.162 -13.104 5.205 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.058 -15.266 5.694 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.242 -13.961 5.280 1.00 0.00 C ATOM 0 H PHE A 73 0.662 -13.283 5.631 1.00 0.00 H new ATOM 0 HA PHE A 73 1.715 -15.712 4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.969 -14.782 7.186 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.393 -16.391 6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.058 -12.881 5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.655 -16.733 6.351 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.303 -12.083 4.882 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.901 -15.938 5.755 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.229 -13.612 5.015 1.00 0.00 H new ATOM 1016 N ALA A 74 -1.011 -15.134 5.875 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.309 -15.675 6.259 1.00 0.00 C ATOM 1018 C ALA A 74 -3.445 -14.836 5.685 1.00 0.00 C ATOM 1019 O ALA A 74 -3.361 -13.611 5.596 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.420 -15.754 7.774 1.00 0.00 C ATOM 0 H ALA A 74 -0.967 -14.115 5.860 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.393 -16.681 5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.394 -16.160 8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.635 -16.403 8.163 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.310 -14.756 8.199 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.535 -15.508 5.286 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.709 -14.843 4.714 1.00 0.00 C ATOM 1028 C PRO A 75 -6.474 -14.025 5.748 1.00 0.00 C ATOM 1029 O PRO A 75 -6.464 -14.344 6.937 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.568 -16.008 4.213 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.164 -17.166 5.059 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.705 -16.969 5.362 1.00 0.00 C ATOM 0 HA PRO A 75 -5.434 -14.131 3.935 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.631 -15.791 4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.388 -16.207 3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.751 -17.203 5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.330 -18.108 4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.444 -17.353 6.348 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.071 -17.485 4.641 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.136 -12.967 5.289 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.896 -12.120 6.188 1.00 0.00 C ATOM 1042 C GLY A 76 -8.038 -10.703 5.668 1.00 0.00 C ATOM 1043 O GLY A 76 -7.761 -10.432 4.500 1.00 0.00 O ATOM 0 H GLY A 76 -7.159 -12.682 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.886 -12.550 6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.408 -12.099 7.162 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.472 -9.796 6.537 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.650 -8.399 6.159 1.00 0.00 C ATOM 1049 C ASP A 77 -7.463 -7.557 6.616 1.00 0.00 C ATOM 1050 O ASP A 77 -7.309 -7.275 7.804 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.944 -7.847 6.761 1.00 0.00 C ATOM 1052 CG ASP A 77 -10.171 -8.324 8.182 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -10.513 -9.512 8.362 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -10.007 -7.510 9.114 1.00 0.00 O ATOM 0 H ASP A 77 -8.707 -10.003 7.508 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.712 -8.347 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.912 -6.758 6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.788 -8.149 6.140 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.626 -7.159 5.664 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.451 -6.352 5.968 1.00 0.00 C ATOM 1061 C TYR A 78 -5.735 -4.869 5.745 1.00 0.00 C ATOM 1062 O TYR A 78 -6.728 -4.504 5.115 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.267 -6.791 5.105 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.677 -8.120 5.519 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.436 -9.283 5.475 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.360 -8.213 5.954 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.901 -10.500 5.853 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.817 -9.425 6.332 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.591 -10.566 6.280 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.053 -11.775 6.657 1.00 0.00 O ATOM 0 H TYR A 78 -6.740 -7.382 4.675 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.202 -6.502 7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.589 -6.854 4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.491 -6.027 5.152 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.462 -9.235 5.140 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.751 -7.322 5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.505 -11.394 5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.792 -9.480 6.667 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.734 -12.475 6.578 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.856 -4.020 6.265 1.00 0.00 N ATOM 1081 CA ASP A 79 -5.009 -2.577 6.122 1.00 0.00 C ATOM 1082 C ASP A 79 -3.679 -1.922 5.762 1.00 0.00 C ATOM 1083 O ASP A 79 -2.789 -1.796 6.603 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.557 -1.970 7.415 1.00 0.00 C ATOM 1085 CG ASP A 79 -7.072 -1.928 7.438 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.669 -1.494 6.431 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.661 -2.330 8.463 1.00 0.00 O ATOM 0 H ASP A 79 -4.029 -4.306 6.790 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.716 -2.390 5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.200 -2.551 8.265 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.167 -0.959 7.532 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.551 -1.508 4.505 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.330 -0.866 4.033 1.00 0.00 C ATOM 1094 C VAL A 80 -2.205 0.550 4.583 1.00 0.00 C ATOM 1095 O VAL A 80 -2.909 1.460 4.146 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.282 -0.814 2.494 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -0.972 -0.203 2.021 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.474 -2.205 1.908 1.00 0.00 C ATOM 0 H VAL A 80 -4.278 -1.606 3.796 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.496 -1.467 4.395 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.097 -0.181 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.956 -0.175 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.881 0.810 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.138 -0.806 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.437 -2.150 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.681 -2.863 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.441 -2.600 2.219 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.305 0.729 5.544 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.088 2.035 6.154 1.00 0.00 C ATOM 1110 C ASN A 81 -0.085 2.854 5.346 1.00 0.00 C ATOM 1111 O ASN A 81 1.066 2.450 5.175 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.590 1.873 7.592 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.688 1.428 8.537 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.256 2.236 9.272 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -1.993 0.135 8.522 1.00 0.00 N ATOM 0 H ASN A 81 -0.714 -0.014 5.917 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.040 2.566 6.163 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.221 1.145 7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.177 2.820 7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.724 -0.224 9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.496 -0.499 7.896 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.530 4.004 4.852 1.00 0.00 N ATOM 1123 CA ILE A 82 0.329 4.879 4.064 1.00 0.00 C ATOM 1124 C ILE A 82 0.333 6.297 4.626 1.00 0.00 C ATOM 1125 O ILE A 82 -0.693 6.977 4.634 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.115 4.925 2.590 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.115 3.517 1.990 1.00 0.00 C ATOM 1128 CG2 ILE A 82 0.795 5.846 1.791 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.953 3.394 0.737 1.00 0.00 C ATOM 0 H ILE A 82 -1.480 4.352 4.983 1.00 0.00 H new ATOM 0 HA ILE A 82 1.336 4.466 4.119 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.130 5.319 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.911 3.228 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.485 2.813 2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.468 5.868 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.750 6.853 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.820 5.478 1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.906 2.370 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.988 3.651 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.570 4.073 -0.025 1.00 0.00 H new ATOM 1141 N THR A 83 1.497 6.738 5.095 1.00 0.00 N ATOM 1142 CA THR A 83 1.636 8.075 5.658 1.00 0.00 C ATOM 1143 C THR A 83 2.782 8.833 4.999 1.00 0.00 C ATOM 1144 O THR A 83 3.878 8.298 4.831 1.00 0.00 O ATOM 1145 CB THR A 83 1.879 8.021 7.179 1.00 0.00 C ATOM 1146 OG1 THR A 83 2.948 7.116 7.472 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.620 7.583 7.912 1.00 0.00 C ATOM 0 H THR A 83 2.356 6.188 5.096 1.00 0.00 H new ATOM 0 HA THR A 83 0.700 8.598 5.465 1.00 0.00 H new ATOM 0 HB THR A 83 2.148 9.021 7.518 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.097 7.088 8.440 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.815 7.552 8.984 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.184 8.291 7.710 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.325 6.592 7.568 1.00 0.00 H new ATOM 1155 N TYR A 84 2.522 10.082 4.627 1.00 0.00 N ATOM 1156 CA TYR A 84 3.533 10.913 3.984 1.00 0.00 C ATOM 1157 C TYR A 84 3.898 12.105 4.863 1.00 0.00 C ATOM 1158 O TYR A 84 3.091 13.012 5.066 1.00 0.00 O ATOM 1159 CB TYR A 84 3.030 11.403 2.625 1.00 0.00 C ATOM 1160 CG TYR A 84 4.139 11.798 1.675 1.00 0.00 C ATOM 1161 CD1 TYR A 84 5.187 10.928 1.400 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.140 13.041 1.055 1.00 0.00 C ATOM 1163 CE1 TYR A 84 6.203 11.284 0.534 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.150 13.405 0.186 1.00 0.00 C ATOM 1165 CZ TYR A 84 6.179 12.523 -0.071 1.00 0.00 C ATOM 1166 OH TYR A 84 7.189 12.883 -0.934 1.00 0.00 O ATOM 0 H TYR A 84 1.621 10.541 4.760 1.00 0.00 H new ATOM 0 HA TYR A 84 4.426 10.306 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.431 10.618 2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.372 12.258 2.777 1.00 0.00 H new ATOM 0 HD1 TYR A 84 5.208 9.957 1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.337 13.735 1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 84 7.011 10.596 0.332 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.134 14.375 -0.290 1.00 0.00 H new ATOM 0 HH TYR A 84 7.295 13.857 -0.926 1.00 0.00 H new ATOM 1176 N GLY A 85 5.122 12.096 5.383 1.00 0.00 N ATOM 1177 CA GLY A 85 5.574 13.181 6.234 1.00 0.00 C ATOM 1178 C GLY A 85 4.846 13.217 7.563 1.00 0.00 C ATOM 1179 O GLY A 85 4.642 14.285 8.138 1.00 0.00 O ATOM 0 H GLY A 85 5.808 11.357 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.644 13.077 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.427 14.129 5.717 1.00 0.00 H new ATOM 1183 N GLY A 86 4.452 12.045 8.053 1.00 0.00 N ATOM 1184 CA GLY A 86 3.745 11.970 9.318 1.00 0.00 C ATOM 1185 C GLY A 86 2.264 12.258 9.173 1.00 0.00 C ATOM 1186 O GLY A 86 1.566 12.471 10.164 1.00 0.00 O ATOM 0 H GLY A 86 4.610 11.147 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.878 10.977 9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.183 12.681 10.018 1.00 0.00 H new ATOM 1190 N ALA A 87 1.783 12.267 7.934 1.00 0.00 N ATOM 1191 CA ALA A 87 0.376 12.531 7.663 1.00 0.00 C ATOM 1192 C ALA A 87 -0.258 11.383 6.884 1.00 0.00 C ATOM 1193 O ALA A 87 0.261 10.959 5.851 1.00 0.00 O ATOM 1194 CB ALA A 87 0.222 13.838 6.899 1.00 0.00 C ATOM 0 H ALA A 87 2.348 12.094 7.102 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.142 12.618 8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.834 14.023 6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.630 14.656 7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.760 13.772 5.953 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.382 10.883 7.387 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.087 9.783 6.738 1.00 0.00 C ATOM 1202 C HIS A 88 -2.767 10.254 5.456 1.00 0.00 C ATOM 1203 O HIS A 88 -3.619 11.143 5.485 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.124 9.182 7.688 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.586 8.072 8.537 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.297 6.818 8.042 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -2.282 8.033 9.855 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.841 6.055 9.019 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.821 6.769 10.130 1.00 0.00 N ATOM 0 H HIS A 88 -1.824 11.222 8.242 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.355 9.018 6.480 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.511 9.969 8.336 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.965 8.807 7.105 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.383 8.845 10.560 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.536 5.023 8.925 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.513 6.436 11.044 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.385 9.654 4.334 1.00 0.00 N ATOM 1219 CA ILE A 89 -2.959 10.013 3.043 1.00 0.00 C ATOM 1220 C ILE A 89 -4.445 9.678 2.989 1.00 0.00 C ATOM 1221 O ILE A 89 -4.923 8.756 3.650 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.240 9.292 1.887 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.507 7.787 1.952 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.745 9.573 1.936 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.352 7.088 0.619 1.00 0.00 C ATOM 0 H ILE A 89 -1.681 8.917 4.293 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.827 11.089 2.928 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.630 9.671 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.824 7.336 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.518 7.621 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.251 9.057 1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.573 10.646 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.339 9.218 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.556 6.024 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.054 7.513 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.334 7.223 0.254 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.196 10.444 2.183 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.639 10.246 2.022 1.00 0.00 C ATOM 1239 C PRO A 90 -6.968 8.960 1.270 1.00 0.00 C ATOM 1240 O PRO A 90 -7.147 8.970 0.052 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.076 11.467 1.209 1.00 0.00 C ATOM 1242 CG PRO A 90 -5.854 11.886 0.468 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.693 11.561 1.366 1.00 0.00 C ATOM 0 HA PRO A 90 -7.147 10.152 2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.887 11.218 0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.439 12.265 1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.773 11.357 -0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.883 12.951 0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.810 11.275 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.411 12.414 1.982 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.046 7.854 2.003 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.353 6.576 1.388 1.00 0.00 C ATOM 1253 C GLY A 91 -6.954 5.402 2.260 1.00 0.00 C ATOM 1254 O GLY A 91 -7.421 4.282 2.056 1.00 0.00 O ATOM 0 H GLY A 91 -6.902 7.820 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.422 6.524 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.838 6.504 0.430 1.00 0.00 H new ATOM 1258 N SER A 92 -6.087 5.658 3.234 1.00 0.00 N ATOM 1259 CA SER A 92 -5.621 4.612 4.137 1.00 0.00 C ATOM 1260 C SER A 92 -6.297 4.730 5.499 1.00 0.00 C ATOM 1261 O SER A 92 -6.712 5.808 5.924 1.00 0.00 O ATOM 1262 CB SER A 92 -4.102 4.690 4.300 1.00 0.00 C ATOM 1263 OG SER A 92 -3.705 4.256 5.589 1.00 0.00 O ATOM 0 H SER A 92 -5.693 6.581 3.418 1.00 0.00 H new ATOM 0 HA SER A 92 -5.884 3.647 3.703 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.619 4.074 3.541 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.768 5.715 4.139 1.00 0.00 H new ATOM 0 HG SER A 92 -3.238 4.984 6.050 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.411 3.593 6.202 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.922 2.303 5.706 1.00 0.00 C ATOM 1271 C PRO A 93 -6.749 1.779 4.537 1.00 0.00 C ATOM 1272 O PRO A 93 -7.928 2.108 4.402 1.00 0.00 O ATOM 1273 CB PRO A 93 -6.064 1.380 6.918 1.00 0.00 C ATOM 1274 CG PRO A 93 -7.147 1.993 7.737 1.00 0.00 C ATOM 1275 CD PRO A 93 -7.028 3.479 7.534 1.00 0.00 C ATOM 0 HA PRO A 93 -4.904 2.373 5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.323 0.366 6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.131 1.317 7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.126 1.633 7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.036 1.733 8.790 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.001 3.969 7.569 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.410 3.942 8.304 1.00 0.00 H new ATOM 1283 N PHE A 94 -6.125 0.962 3.695 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.804 0.393 2.538 1.00 0.00 C ATOM 1285 C PHE A 94 -7.139 -1.078 2.771 1.00 0.00 C ATOM 1286 O PHE A 94 -6.273 -1.947 2.664 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.934 0.537 1.287 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.655 1.964 0.912 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.605 2.655 1.495 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.443 2.615 -0.023 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.346 3.968 1.152 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.190 3.929 -0.370 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.139 4.606 0.218 1.00 0.00 C ATOM 0 H PHE A 94 -5.150 0.679 3.793 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.735 0.940 2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.988 0.021 1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.428 0.040 0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.982 2.161 2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.265 2.090 -0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.524 4.495 1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.813 4.425 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 94 -4.938 5.632 -0.052 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.400 -1.348 3.093 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.849 -2.712 3.344 1.00 0.00 C ATOM 1305 C ARG A 95 -8.732 -3.563 2.083 1.00 0.00 C ATOM 1306 O ARG A 95 -9.233 -3.191 1.021 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.296 -2.712 3.840 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.643 -3.912 4.706 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.858 -5.161 3.866 1.00 0.00 C ATOM 1310 NE ARG A 95 -12.106 -5.103 3.108 1.00 0.00 N ATOM 1311 CZ ARG A 95 -13.306 -5.264 3.655 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -13.420 -5.492 4.956 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -14.395 -5.197 2.900 1.00 0.00 N ATOM 0 H ARG A 95 -9.129 -0.640 3.186 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.209 -3.143 4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.476 -1.800 4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.966 -2.689 2.980 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.842 -4.088 5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.544 -3.699 5.281 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.021 -5.284 3.178 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.868 -6.037 4.515 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.053 -4.929 2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.585 -5.544 5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.343 -5.615 5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.311 -5.022 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.316 -5.321 3.321 1.00 0.00 H new ATOM 1327 N VAL A 96 -8.068 -4.708 2.207 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.887 -5.613 1.079 1.00 0.00 C ATOM 1329 C VAL A 96 -8.110 -7.062 1.495 1.00 0.00 C ATOM 1330 O VAL A 96 -7.453 -7.584 2.397 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.478 -5.476 0.471 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -6.386 -6.238 -0.842 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -6.124 -4.010 0.272 1.00 0.00 C ATOM 0 H VAL A 96 -7.646 -5.031 3.078 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.628 -5.336 0.329 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.758 -5.909 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.384 -6.129 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.593 -7.293 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.115 -5.838 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.126 -3.932 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.846 -3.549 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.146 -3.497 1.233 1.00 0.00 H new ATOM 1343 N PRO A 97 -9.059 -7.731 0.823 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.390 -9.131 1.105 1.00 0.00 C ATOM 1345 C PRO A 97 -8.280 -10.087 0.682 1.00 0.00 C ATOM 1346 O PRO A 97 -8.044 -10.293 -0.508 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.650 -9.372 0.270 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.564 -8.382 -0.840 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.881 -7.173 -0.263 1.00 0.00 C ATOM 0 HA PRO A 97 -9.527 -9.310 2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.683 -10.393 -0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.552 -9.224 0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.999 -8.786 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.556 -8.129 -1.215 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.270 -6.663 -1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.601 -6.445 0.111 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.600 -10.668 1.665 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.514 -11.603 1.395 1.00 0.00 C ATOM 1359 C VAL A 98 -7.013 -13.044 1.415 1.00 0.00 C ATOM 1360 O VAL A 98 -7.223 -13.626 2.480 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.374 -11.452 2.419 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.285 -12.483 2.163 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.805 -10.042 2.377 1.00 0.00 C ATOM 0 H VAL A 98 -7.782 -10.508 2.656 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.133 -11.366 0.402 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.779 -11.627 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.488 -12.360 2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.705 -13.485 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.880 -12.343 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.000 -9.952 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.415 -9.837 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.591 -9.325 2.614 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.200 -13.616 0.231 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.672 -14.991 0.110 1.00 0.00 C ATOM 1375 C LYS A 99 -6.506 -15.973 0.162 1.00 0.00 C ATOM 1376 O LYS A 99 -5.343 -15.576 0.078 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.448 -15.173 -1.196 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.533 -14.132 -1.409 1.00 0.00 C ATOM 1379 CD LYS A 99 -9.994 -14.094 -2.856 1.00 0.00 C ATOM 1380 CE LYS A 99 -10.935 -15.248 -3.171 1.00 0.00 C ATOM 1381 NZ LYS A 99 -10.195 -16.464 -3.606 1.00 0.00 N ATOM 0 H LYS A 99 -7.032 -13.149 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.335 -15.196 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.750 -15.134 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.901 -16.164 -1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.382 -14.352 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.158 -13.150 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.498 -13.148 -3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.128 -14.138 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.531 -15.482 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.630 -14.946 -3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.632 -16.846 -4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.204 -16.216 -3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.232 -17.181 -2.853 1.00 0.00 H new ATOM 1395 N ASP A 100 -6.824 -17.255 0.300 1.00 0.00 N ATOM 1396 CA ASP A 100 -5.803 -18.294 0.361 1.00 0.00 C ATOM 1397 C ASP A 100 -5.755 -19.086 -0.943 1.00 0.00 C ATOM 1398 O ASP A 100 -6.762 -19.644 -1.379 1.00 0.00 O ATOM 1399 CB ASP A 100 -6.073 -19.237 1.535 1.00 0.00 C ATOM 1400 CG ASP A 100 -7.554 -19.450 1.777 1.00 0.00 C ATOM 1401 OD1 ASP A 100 -8.134 -20.358 1.146 1.00 0.00 O ATOM 1402 OD2 ASP A 100 -8.135 -18.708 2.597 1.00 0.00 O ATOM 0 H ASP A 100 -7.781 -17.600 0.372 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.837 -17.811 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.597 -20.199 1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.615 -18.830 2.437 1.00 0.00 H new ATOM 1407 N VAL A 101 -4.579 -19.129 -1.560 1.00 0.00 N ATOM 1408 CA VAL A 101 -4.400 -19.852 -2.814 1.00 0.00 C ATOM 1409 C VAL A 101 -4.939 -21.274 -2.710 1.00 0.00 C ATOM 1410 O VAL A 101 -5.689 -21.729 -3.573 1.00 0.00 O ATOM 1411 CB VAL A 101 -2.916 -19.905 -3.223 1.00 0.00 C ATOM 1412 CG1 VAL A 101 -2.752 -20.647 -4.541 1.00 0.00 C ATOM 1413 CG2 VAL A 101 -2.338 -18.501 -3.317 1.00 0.00 C ATOM 0 H VAL A 101 -3.736 -18.672 -1.212 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.960 -19.310 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.365 -20.449 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.697 -20.675 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.126 -21.665 -4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.315 -20.134 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.289 -18.558 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.890 -17.929 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.420 -18.008 -2.348 1.00 0.00 H new ATOM 1423 N VAL A 102 -4.552 -21.972 -1.647 1.00 0.00 N ATOM 1424 CA VAL A 102 -4.997 -23.343 -1.428 1.00 0.00 C ATOM 1425 C VAL A 102 -5.487 -23.540 0.002 1.00 0.00 C ATOM 1426 O VAL A 102 -4.928 -22.979 0.944 1.00 0.00 O ATOM 1427 CB VAL A 102 -3.870 -24.352 -1.717 1.00 0.00 C ATOM 1428 CG1 VAL A 102 -3.371 -24.202 -3.146 1.00 0.00 C ATOM 1429 CG2 VAL A 102 -2.730 -24.175 -0.724 1.00 0.00 C ATOM 0 H VAL A 102 -3.931 -21.610 -0.924 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.821 -23.523 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.270 -25.359 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -2.575 -24.923 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.193 -24.382 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.987 -23.192 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.942 -24.896 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.330 -23.164 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.100 -24.338 0.288 1.00 0.00 H new ATOM 1439 N ASP A 103 -6.536 -24.341 0.156 1.00 0.00 N ATOM 1440 CA ASP A 103 -7.101 -24.615 1.472 1.00 0.00 C ATOM 1441 C ASP A 103 -6.423 -25.820 2.115 1.00 0.00 C ATOM 1442 O ASP A 103 -6.089 -26.802 1.452 1.00 0.00 O ATOM 1443 CB ASP A 103 -8.607 -24.859 1.363 1.00 0.00 C ATOM 1444 CG ASP A 103 -9.307 -23.800 0.533 1.00 0.00 C ATOM 1445 OD1 ASP A 103 -9.535 -22.690 1.058 1.00 0.00 O ATOM 1446 OD2 ASP A 103 -9.627 -24.082 -0.641 1.00 0.00 O ATOM 0 H ASP A 103 -7.012 -24.812 -0.614 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.927 -23.744 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.782 -25.839 0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.042 -24.880 2.362 1.00 0.00 H new ATOM 1451 N PRO A 104 -6.213 -25.746 3.438 1.00 0.00 N ATOM 1452 CA PRO A 104 -5.573 -26.822 4.200 1.00 0.00 C ATOM 1453 C PRO A 104 -6.457 -28.059 4.311 1.00 0.00 C ATOM 1454 O PRO A 104 -7.682 -27.955 4.377 1.00 0.00 O ATOM 1455 CB PRO A 104 -5.352 -26.197 5.580 1.00 0.00 C ATOM 1456 CG PRO A 104 -6.392 -25.136 5.686 1.00 0.00 C ATOM 1457 CD PRO A 104 -6.586 -24.605 4.292 1.00 0.00 C ATOM 0 HA PRO A 104 -4.657 -27.170 3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.460 -26.938 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -4.349 -25.779 5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.323 -25.541 6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -6.074 -24.344 6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.616 -24.294 4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.955 -23.737 4.101 1.00 0.00 H new ATOM 1465 N SER A 105 -5.829 -29.230 4.331 1.00 0.00 N ATOM 1466 CA SER A 105 -6.559 -30.488 4.430 1.00 0.00 C ATOM 1467 C SER A 105 -7.558 -30.447 5.583 1.00 0.00 C ATOM 1468 O SER A 105 -7.539 -29.528 6.400 1.00 0.00 O ATOM 1469 CB SER A 105 -5.587 -31.653 4.625 1.00 0.00 C ATOM 1470 OG SER A 105 -4.714 -31.780 3.516 1.00 0.00 O ATOM 0 H SER A 105 -4.816 -29.334 4.280 1.00 0.00 H new ATOM 0 HA SER A 105 -7.108 -30.634 3.500 1.00 0.00 H new ATOM 0 HB2 SER A 105 -5.005 -31.497 5.534 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.146 -32.579 4.759 1.00 0.00 H new ATOM 0 HG SER A 105 -4.102 -32.530 3.666 1.00 0.00 H new TER 1476 SER A 105