USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 519 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 54 ASN : amide:sc= 1.23 K(o=3.5,f=1.9) USER MOD Set 1.2: A 75 SER OG : rot 68:sc= 2.25 USER MOD Set 2.1: A 21 SER OG : rot -29:sc= 1.52 USER MOD Set 2.2: A 60 ASN : amide:sc= 1.22 K(o=3.7,f=0.63) USER MOD Set 2.3: A 62 ASN : amide:sc= 0.929 K(o=3.7,f=0.8) USER MOD Set 3.1: A 1 SER N :NH3+ 166:sc= 2.12 (180deg=1.05) USER MOD Set 3.2: A 4 THR OG1 : rot 180:sc= 0.835 USER MOD Single : A 1 SER OG : rot 180:sc= 0.226 USER MOD Single : A 8 ASN : amide:sc= -0.211 K(o=-0.21,f=-0.95) USER MOD Single : A 9 GLN : amide:sc= -3.43! K(o=-3.4!,f=-0.057) USER MOD Single : A 11 SER OG : rot 47:sc= 0.0993 USER MOD Single : A 14 SER OG : rot 122:sc= 0.633 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -9:sc= 0.768 USER MOD Single : A 39 SER OG : rot 80:sc= 1.25 USER MOD Single : A 42 TYR OH : rot -84:sc= 1.27 USER MOD Single : A 44 THR OG1 : rot -46:sc= 0.693 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 50 GLN : amide:sc= -1.19! C(o=-1.2!,f=-8.2!) USER MOD Single : A 52 THR OG1 : rot -144:sc= 0.944 USER MOD Single : A 55 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.2) USER MOD Single : A 67 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.652 K(o=-0.65,f=-7.8!) USER MOD Single : A 74 ASN : amide:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0636 USER MOD Single : A 82 HIS : no HE2:sc= -0.223 K(o=-0.22,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 38.042 -5.222 -1.773 1.00 0.00 N ATOM 2 CA SER A 1 36.978 -5.713 -2.675 1.00 0.00 C ATOM 3 C SER A 1 35.659 -4.990 -2.396 1.00 0.00 C ATOM 4 O SER A 1 35.260 -4.101 -3.147 1.00 0.00 O ATOM 5 CB SER A 1 36.819 -7.226 -2.506 1.00 0.00 C ATOM 6 OG SER A 1 36.774 -7.579 -1.132 1.00 0.00 O ATOM 0 H1 SER A 1 38.853 -5.872 -1.806 1.00 0.00 H new ATOM 0 H2 SER A 1 38.345 -4.275 -2.077 1.00 0.00 H new ATOM 0 H3 SER A 1 37.677 -5.173 -0.800 1.00 0.00 H new ATOM 0 HA SER A 1 37.260 -5.503 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 1 35.906 -7.558 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 1 37.649 -7.740 -2.991 1.00 0.00 H new ATOM 0 HG SER A 1 36.670 -8.550 -1.047 1.00 0.00 H new ATOM 14 N ALA A 2 34.987 -5.367 -1.314 1.00 0.00 N ATOM 15 CA ALA A 2 33.758 -4.700 -0.912 1.00 0.00 C ATOM 16 C ALA A 2 34.088 -3.404 -0.182 1.00 0.00 C ATOM 17 O ALA A 2 34.440 -3.427 1.002 1.00 0.00 O ATOM 18 CB ALA A 2 32.913 -5.613 -0.036 1.00 0.00 C ATOM 0 H ALA A 2 35.274 -6.130 -0.701 1.00 0.00 H new ATOM 0 HA ALA A 2 33.178 -4.462 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 2 31.999 -5.095 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 2 32.658 -6.516 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 2 33.476 -5.883 0.858 1.00 0.00 H new ATOM 24 N ARG A 3 34.027 -2.291 -0.918 1.00 0.00 N ATOM 25 CA ARG A 3 34.401 -0.961 -0.413 1.00 0.00 C ATOM 26 C ARG A 3 35.916 -0.843 -0.251 1.00 0.00 C ATOM 27 O ARG A 3 36.507 0.188 -0.571 1.00 0.00 O ATOM 28 CB ARG A 3 33.695 -0.630 0.908 1.00 0.00 C ATOM 29 CG ARG A 3 34.055 0.745 1.451 1.00 0.00 C ATOM 30 CD ARG A 3 33.381 1.022 2.782 1.00 0.00 C ATOM 31 NE ARG A 3 33.770 2.328 3.325 1.00 0.00 N ATOM 32 CZ ARG A 3 33.144 2.937 4.334 1.00 0.00 C ATOM 33 NH1 ARG A 3 32.088 2.365 4.903 1.00 0.00 N ATOM 34 NH2 ARG A 3 33.574 4.119 4.776 1.00 0.00 N ATOM 0 H ARG A 3 33.715 -2.284 -1.889 1.00 0.00 H new ATOM 0 HA ARG A 3 34.072 -0.234 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 3 32.616 -0.684 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 3 33.953 -1.386 1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 3 35.136 0.817 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 3 33.762 1.508 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 3 32.299 0.988 2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 3 33.644 0.239 3.493 1.00 0.00 H new ATOM 0 HE ARG A 3 34.570 2.801 2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 3 31.756 1.460 4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 3 31.610 2.831 5.674 1.00 0.00 H new ATOM 0 HH21 ARG A 3 34.384 4.561 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 3 33.092 4.581 5.547 1.00 0.00 H new ATOM 48 N THR A 4 36.531 -1.900 0.251 1.00 0.00 N ATOM 49 CA THR A 4 37.969 -1.958 0.399 1.00 0.00 C ATOM 50 C THR A 4 38.653 -2.062 -0.962 1.00 0.00 C ATOM 51 O THR A 4 38.063 -2.545 -1.932 1.00 0.00 O ATOM 52 CB THR A 4 38.380 -3.155 1.277 1.00 0.00 C ATOM 53 OG1 THR A 4 37.657 -4.330 0.864 1.00 0.00 O ATOM 54 CG2 THR A 4 38.114 -2.871 2.752 1.00 0.00 C ATOM 0 H THR A 4 36.045 -2.740 0.566 1.00 0.00 H new ATOM 0 HA THR A 4 38.289 -1.036 0.884 1.00 0.00 H new ATOM 0 HB THR A 4 39.450 -3.322 1.152 1.00 0.00 H new ATOM 0 HG1 THR A 4 37.921 -5.090 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 4 38.414 -3.733 3.348 1.00 0.00 H new ATOM 0 HG22 THR A 4 38.687 -1.998 3.063 1.00 0.00 H new ATOM 0 HG23 THR A 4 37.051 -2.679 2.900 1.00 0.00 H new ATOM 62 N CYS A 5 39.894 -1.620 -1.019 1.00 0.00 N ATOM 63 CA CYS A 5 40.674 -1.644 -2.249 1.00 0.00 C ATOM 64 C CYS A 5 41.006 -3.083 -2.686 1.00 0.00 C ATOM 65 O CYS A 5 40.776 -4.032 -1.929 1.00 0.00 O ATOM 66 CB CYS A 5 41.934 -0.813 -2.049 1.00 0.00 C ATOM 67 SG CYS A 5 41.629 0.974 -2.126 1.00 0.00 S ATOM 0 H CYS A 5 40.393 -1.234 -0.217 1.00 0.00 H new ATOM 0 HA CYS A 5 40.082 -1.210 -3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 5 42.374 -1.059 -1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 5 42.665 -1.084 -2.811 1.00 0.00 H new ATOM 72 N PRO A 6 41.499 -3.271 -3.936 1.00 0.00 N ATOM 73 CA PRO A 6 41.878 -4.598 -4.464 1.00 0.00 C ATOM 74 C PRO A 6 42.940 -5.307 -3.608 1.00 0.00 C ATOM 75 O PRO A 6 43.575 -4.685 -2.764 1.00 0.00 O ATOM 76 CB PRO A 6 42.440 -4.273 -5.856 1.00 0.00 C ATOM 77 CG PRO A 6 41.801 -2.983 -6.230 1.00 0.00 C ATOM 78 CD PRO A 6 41.697 -2.211 -4.951 1.00 0.00 C ATOM 0 HA PRO A 6 41.031 -5.284 -4.472 1.00 0.00 H new ATOM 0 HB2 PRO A 6 43.526 -4.185 -5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 6 42.198 -5.057 -6.573 1.00 0.00 H new ATOM 0 HG2 PRO A 6 42.399 -2.446 -6.966 1.00 0.00 H new ATOM 0 HG3 PRO A 6 40.819 -3.144 -6.674 1.00 0.00 H new ATOM 0 HD2 PRO A 6 42.598 -1.629 -4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 6 40.863 -1.510 -4.970 1.00 0.00 H new ATOM 86 N PRO A 7 43.164 -6.622 -3.836 1.00 0.00 N ATOM 87 CA PRO A 7 44.088 -7.439 -3.018 1.00 0.00 C ATOM 88 C PRO A 7 45.571 -7.111 -3.234 1.00 0.00 C ATOM 89 O PRO A 7 46.445 -7.886 -2.852 1.00 0.00 O ATOM 90 CB PRO A 7 43.794 -8.868 -3.478 1.00 0.00 C ATOM 91 CG PRO A 7 43.286 -8.720 -4.869 1.00 0.00 C ATOM 92 CD PRO A 7 42.524 -7.425 -4.898 1.00 0.00 C ATOM 0 HA PRO A 7 43.927 -7.259 -1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 7 44.691 -9.486 -3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 7 43.055 -9.347 -2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 7 44.108 -8.705 -5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 7 42.643 -9.557 -5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 7 42.599 -6.937 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 7 41.463 -7.579 -4.700 1.00 0.00 H new ATOM 100 N ASN A 8 45.841 -5.972 -3.855 1.00 0.00 N ATOM 101 CA ASN A 8 47.204 -5.476 -4.030 1.00 0.00 C ATOM 102 C ASN A 8 47.219 -3.988 -3.703 1.00 0.00 C ATOM 103 O ASN A 8 48.198 -3.275 -3.931 1.00 0.00 O ATOM 104 CB ASN A 8 47.686 -5.712 -5.470 1.00 0.00 C ATOM 105 CG ASN A 8 49.165 -5.405 -5.654 1.00 0.00 C ATOM 106 OD1 ASN A 8 49.972 -5.608 -4.752 1.00 0.00 O ATOM 107 ND2 ASN A 8 49.524 -4.895 -6.821 1.00 0.00 N ATOM 0 H ASN A 8 45.125 -5.364 -4.252 1.00 0.00 H new ATOM 0 HA ASN A 8 47.879 -6.012 -3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 8 47.498 -6.750 -5.746 1.00 0.00 H new ATOM 0 HB3 ASN A 8 47.103 -5.091 -6.150 1.00 0.00 H new ATOM 0 HD21 ASN A 8 50.500 -4.656 -6.995 1.00 0.00 H new ATOM 0 HD22 ASN A 8 48.824 -4.740 -7.547 1.00 0.00 H new ATOM 114 N GLN A 9 46.122 -3.528 -3.128 1.00 0.00 N ATOM 115 CA GLN A 9 45.874 -2.115 -2.961 1.00 0.00 C ATOM 116 C GLN A 9 45.305 -1.859 -1.566 1.00 0.00 C ATOM 117 O GLN A 9 44.508 -2.643 -1.053 1.00 0.00 O ATOM 118 CB GLN A 9 44.888 -1.638 -4.030 1.00 0.00 C ATOM 119 CG GLN A 9 45.348 -0.440 -4.846 1.00 0.00 C ATOM 120 CD GLN A 9 46.187 -0.828 -6.049 1.00 0.00 C ATOM 121 OE1 GLN A 9 46.168 -0.157 -7.075 1.00 0.00 O ATOM 122 NE2 GLN A 9 46.936 -1.909 -5.934 1.00 0.00 N ATOM 0 H GLN A 9 45.381 -4.127 -2.765 1.00 0.00 H new ATOM 0 HA GLN A 9 46.808 -1.563 -3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 9 44.686 -2.465 -4.711 1.00 0.00 H new ATOM 0 HB3 GLN A 9 43.945 -1.387 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 9 44.475 0.119 -5.184 1.00 0.00 H new ATOM 0 HG3 GLN A 9 45.926 0.227 -4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 9 46.928 -2.445 -5.066 1.00 0.00 H new ATOM 0 HE22 GLN A 9 47.522 -2.208 -6.713 1.00 0.00 H new ATOM 131 N PHE A 10 45.722 -0.771 -0.965 1.00 0.00 N ATOM 132 CA PHE A 10 45.311 -0.414 0.373 1.00 0.00 C ATOM 133 C PHE A 10 44.339 0.745 0.305 1.00 0.00 C ATOM 134 O PHE A 10 44.541 1.703 -0.445 1.00 0.00 O ATOM 135 CB PHE A 10 46.538 -0.048 1.223 1.00 0.00 C ATOM 136 CG PHE A 10 46.212 0.588 2.558 1.00 0.00 C ATOM 137 CD1 PHE A 10 45.474 -0.099 3.512 1.00 0.00 C ATOM 138 CD2 PHE A 10 46.650 1.873 2.861 1.00 0.00 C ATOM 139 CE1 PHE A 10 45.175 0.486 4.732 1.00 0.00 C ATOM 140 CE2 PHE A 10 46.352 2.455 4.074 1.00 0.00 C ATOM 141 CZ PHE A 10 45.616 1.768 5.009 1.00 0.00 C ATOM 0 H PHE A 10 46.362 -0.102 -1.394 1.00 0.00 H new ATOM 0 HA PHE A 10 44.816 -1.264 0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 10 47.124 -0.950 1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 10 47.167 0.636 0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 10 45.129 -1.100 3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 10 47.232 2.422 2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 10 44.599 -0.058 5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 10 46.698 3.455 4.291 1.00 0.00 H new ATOM 0 HZ PHE A 10 45.382 2.228 5.958 1.00 0.00 H new ATOM 151 N SER A 11 43.299 0.652 1.104 1.00 0.00 N ATOM 152 CA SER A 11 42.253 1.633 1.120 1.00 0.00 C ATOM 153 C SER A 11 42.392 2.488 2.352 1.00 0.00 C ATOM 154 O SER A 11 41.997 2.107 3.455 1.00 0.00 O ATOM 155 CB SER A 11 40.881 0.956 1.069 1.00 0.00 C ATOM 156 OG SER A 11 40.823 -0.144 1.963 1.00 0.00 O ATOM 0 H SER A 11 43.161 -0.114 1.763 1.00 0.00 H new ATOM 0 HA SER A 11 42.338 2.269 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 11 40.106 1.678 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 11 40.677 0.615 0.054 1.00 0.00 H new ATOM 0 HG SER A 11 41.185 0.123 2.834 1.00 0.00 H new ATOM 162 N CYS A 12 43.023 3.620 2.139 1.00 0.00 N ATOM 163 CA CYS A 12 43.222 4.621 3.167 1.00 0.00 C ATOM 164 C CYS A 12 41.876 5.248 3.527 1.00 0.00 C ATOM 165 O CYS A 12 40.828 4.737 3.124 1.00 0.00 O ATOM 166 CB CYS A 12 44.212 5.671 2.628 1.00 0.00 C ATOM 167 SG CYS A 12 44.574 7.098 3.713 1.00 0.00 S ATOM 0 H CYS A 12 43.419 3.877 1.235 1.00 0.00 H new ATOM 0 HA CYS A 12 43.635 4.180 4.074 1.00 0.00 H new ATOM 0 HB2 CYS A 12 45.152 5.167 2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 12 43.822 6.052 1.684 1.00 0.00 H new ATOM 172 N ALA A 13 41.911 6.319 4.309 1.00 0.00 N ATOM 173 CA ALA A 13 40.733 7.148 4.558 1.00 0.00 C ATOM 174 C ALA A 13 39.844 7.194 3.321 1.00 0.00 C ATOM 175 O ALA A 13 40.332 7.490 2.228 1.00 0.00 O ATOM 176 CB ALA A 13 41.164 8.551 4.958 1.00 0.00 C ATOM 0 H ALA A 13 42.753 6.639 4.788 1.00 0.00 H new ATOM 0 HA ALA A 13 40.159 6.710 5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 13 40.282 9.164 5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 13 41.767 8.502 5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 13 41.752 8.994 4.154 1.00 0.00 H new ATOM 182 N SER A 14 38.551 6.890 3.523 1.00 0.00 N ATOM 183 CA SER A 14 37.609 6.621 2.437 1.00 0.00 C ATOM 184 C SER A 14 37.754 7.614 1.295 1.00 0.00 C ATOM 185 O SER A 14 37.189 8.709 1.313 1.00 0.00 O ATOM 186 CB SER A 14 36.171 6.608 2.967 1.00 0.00 C ATOM 187 OG SER A 14 35.992 5.552 3.903 1.00 0.00 O ATOM 0 H SER A 14 38.133 6.825 4.451 1.00 0.00 H new ATOM 0 HA SER A 14 37.845 5.635 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 14 35.943 7.563 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 14 35.473 6.489 2.138 1.00 0.00 H new ATOM 0 HG SER A 14 35.695 5.922 4.761 1.00 0.00 H new ATOM 193 N GLY A 15 38.550 7.212 0.321 1.00 0.00 N ATOM 194 CA GLY A 15 38.823 8.044 -0.822 1.00 0.00 C ATOM 195 C GLY A 15 40.117 7.645 -1.502 1.00 0.00 C ATOM 196 O GLY A 15 40.235 7.736 -2.720 1.00 0.00 O ATOM 0 H GLY A 15 39.019 6.306 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.000 7.970 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.881 9.086 -0.509 1.00 0.00 H new ATOM 200 N ARG A 16 41.098 7.208 -0.715 1.00 0.00 N ATOM 201 CA ARG A 16 42.375 6.792 -1.270 1.00 0.00 C ATOM 202 C ARG A 16 42.389 5.298 -1.568 1.00 0.00 C ATOM 203 O ARG A 16 41.746 4.508 -0.881 1.00 0.00 O ATOM 204 CB ARG A 16 43.534 7.142 -0.335 1.00 0.00 C ATOM 205 CG ARG A 16 43.815 8.631 -0.221 1.00 0.00 C ATOM 206 CD ARG A 16 45.155 8.883 0.456 1.00 0.00 C ATOM 207 NE ARG A 16 46.256 8.233 -0.265 1.00 0.00 N ATOM 208 CZ ARG A 16 47.555 8.548 -0.131 1.00 0.00 C ATOM 209 NH1 ARG A 16 47.946 9.503 0.704 1.00 0.00 N ATOM 210 NH2 ARG A 16 48.467 7.891 -0.840 1.00 0.00 N ATOM 0 H ARG A 16 41.030 7.135 0.300 1.00 0.00 H new ATOM 0 HA ARG A 16 42.506 7.338 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 16 43.317 6.748 0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 16 44.435 6.640 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 16 43.814 9.082 -1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 16 43.020 9.112 0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 16 45.339 9.956 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 16 45.121 8.512 1.480 1.00 0.00 H new ATOM 0 HE ARG A 16 46.017 7.486 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 16 47.256 10.011 1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 16 48.937 9.729 0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 16 48.179 7.152 -1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 16 49.455 8.126 -0.743 1.00 0.00 H new ATOM 224 N CYS A 17 43.154 4.928 -2.579 1.00 0.00 N ATOM 225 CA CYS A 17 43.281 3.544 -2.998 1.00 0.00 C ATOM 226 C CYS A 17 44.671 3.361 -3.587 1.00 0.00 C ATOM 227 O CYS A 17 44.918 3.720 -4.735 1.00 0.00 O ATOM 228 CB CYS A 17 42.211 3.198 -4.025 1.00 0.00 C ATOM 229 SG CYS A 17 41.841 1.423 -4.093 1.00 0.00 S ATOM 0 H CYS A 17 43.707 5.581 -3.134 1.00 0.00 H new ATOM 0 HA CYS A 17 43.144 2.877 -2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 17 41.298 3.745 -3.789 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.538 3.533 -5.009 1.00 0.00 H new ATOM 234 N ILE A 18 45.589 2.863 -2.776 1.00 0.00 N ATOM 235 CA ILE A 18 47.007 2.898 -3.111 1.00 0.00 C ATOM 236 C ILE A 18 47.586 1.491 -3.205 1.00 0.00 C ATOM 237 O ILE A 18 47.105 0.592 -2.544 1.00 0.00 O ATOM 238 CB ILE A 18 47.767 3.677 -2.017 1.00 0.00 C ATOM 239 CG1 ILE A 18 47.996 2.786 -0.798 1.00 0.00 C ATOM 240 CG2 ILE A 18 46.961 4.901 -1.601 1.00 0.00 C ATOM 241 CD1 ILE A 18 48.768 3.460 0.303 1.00 0.00 C ATOM 0 H ILE A 18 45.379 2.428 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 18 47.118 3.386 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 18 48.731 3.992 -2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 18 47.031 2.462 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 18 48.531 1.889 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 18 47.502 5.447 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 18 46.810 5.548 -2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 18 45.993 4.584 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 18 48.893 2.768 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 18 49.747 3.759 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 18 48.224 4.342 0.642 1.00 0.00 H new ATOM 253 N PRO A 19 48.608 1.266 -4.033 1.00 0.00 N ATOM 254 CA PRO A 19 49.342 -0.004 -4.020 1.00 0.00 C ATOM 255 C PRO A 19 49.925 -0.272 -2.634 1.00 0.00 C ATOM 256 O PRO A 19 50.569 0.608 -2.058 1.00 0.00 O ATOM 257 CB PRO A 19 50.467 0.219 -5.034 1.00 0.00 C ATOM 258 CG PRO A 19 49.981 1.321 -5.916 1.00 0.00 C ATOM 259 CD PRO A 19 49.113 2.196 -5.053 1.00 0.00 C ATOM 0 HA PRO A 19 48.711 -0.860 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 19 51.398 0.493 -4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.666 -0.686 -5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 19 50.816 1.887 -6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.417 0.924 -6.760 1.00 0.00 H new ATOM 0 HD2 PRO A 19 49.681 3.013 -4.607 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.301 2.647 -5.624 1.00 0.00 H new ATOM 267 N ILE A 20 49.695 -1.461 -2.080 1.00 0.00 N ATOM 268 CA ILE A 20 50.160 -1.749 -0.730 1.00 0.00 C ATOM 269 C ILE A 20 51.663 -1.950 -0.703 1.00 0.00 C ATOM 270 O ILE A 20 52.162 -3.069 -0.772 1.00 0.00 O ATOM 271 CB ILE A 20 49.513 -2.985 -0.100 1.00 0.00 C ATOM 272 CG1 ILE A 20 48.015 -3.018 -0.368 1.00 0.00 C ATOM 273 CG2 ILE A 20 49.776 -2.996 1.400 1.00 0.00 C ATOM 274 CD1 ILE A 20 47.297 -4.133 0.356 1.00 0.00 C ATOM 0 H ILE A 20 49.199 -2.226 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 20 49.867 -0.877 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 20 49.956 -3.872 -0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 20 47.580 -2.064 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 20 47.848 -3.125 -1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 20 49.314 -3.878 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 20 50.851 -3.020 1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 20 49.352 -2.098 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 20 46.234 -4.096 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 20 47.705 -5.093 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 20 47.433 -4.016 1.431 1.00 0.00 H new ATOM 286 N SER A 21 52.369 -0.851 -0.658 1.00 0.00 N ATOM 287 CA SER A 21 53.794 -0.854 -0.425 1.00 0.00 C ATOM 288 C SER A 21 54.137 0.377 0.379 1.00 0.00 C ATOM 289 O SER A 21 55.284 0.596 0.741 1.00 0.00 O ATOM 290 CB SER A 21 54.552 -0.844 -1.756 1.00 0.00 C ATOM 291 OG SER A 21 55.948 -0.696 -1.561 1.00 0.00 O ATOM 0 H SER A 21 51.971 0.080 -0.783 1.00 0.00 H new ATOM 0 HA SER A 21 54.083 -1.754 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 21 54.356 -1.771 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 21 54.183 -0.030 -2.379 1.00 0.00 H new ATOM 0 HG SER A 21 56.111 -0.186 -0.740 1.00 0.00 H new ATOM 297 N TRP A 22 53.094 1.137 0.684 1.00 0.00 N ATOM 298 CA TRP A 22 53.256 2.506 1.190 1.00 0.00 C ATOM 299 C TRP A 22 52.957 2.620 2.677 1.00 0.00 C ATOM 300 O TRP A 22 53.816 2.976 3.462 1.00 0.00 O ATOM 301 CB TRP A 22 52.364 3.473 0.403 1.00 0.00 C ATOM 302 CG TRP A 22 52.645 3.486 -1.074 1.00 0.00 C ATOM 303 CD1 TRP A 22 53.625 2.797 -1.724 1.00 0.00 C ATOM 304 CD2 TRP A 22 51.944 4.225 -2.082 1.00 0.00 C ATOM 305 NE1 TRP A 22 53.562 3.039 -3.069 1.00 0.00 N ATOM 306 CE2 TRP A 22 52.548 3.921 -3.316 1.00 0.00 C ATOM 307 CE3 TRP A 22 50.868 5.111 -2.062 1.00 0.00 C ATOM 308 CZ2 TRP A 22 52.108 4.467 -4.517 1.00 0.00 C ATOM 309 CZ3 TRP A 22 50.430 5.654 -3.255 1.00 0.00 C ATOM 310 CH2 TRP A 22 51.051 5.331 -4.470 1.00 0.00 C ATOM 0 H TRP A 22 52.124 0.835 0.592 1.00 0.00 H new ATOM 0 HA TRP A 22 54.303 2.773 1.049 1.00 0.00 H new ATOM 0 HB2 TRP A 22 51.320 3.203 0.563 1.00 0.00 H new ATOM 0 HB3 TRP A 22 52.497 4.480 0.798 1.00 0.00 H new ATOM 0 HD1 TRP A 22 54.348 2.152 -1.246 1.00 0.00 H new ATOM 0 HE1 TRP A 22 54.174 2.627 -3.774 1.00 0.00 H new ATOM 0 HE3 TRP A 22 50.385 5.369 -1.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 52.585 4.217 -5.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 49.595 6.339 -3.251 1.00 0.00 H new ATOM 0 HH2 TRP A 22 50.687 5.773 -5.385 1.00 0.00 H new ATOM 321 N THR A 23 51.732 2.315 3.046 1.00 0.00 N ATOM 322 CA THR A 23 51.285 2.435 4.439 1.00 0.00 C ATOM 323 C THR A 23 52.304 1.874 5.432 1.00 0.00 C ATOM 324 O THR A 23 52.512 2.424 6.500 1.00 0.00 O ATOM 325 CB THR A 23 49.912 1.744 4.643 1.00 0.00 C ATOM 326 OG1 THR A 23 49.626 1.577 6.038 1.00 0.00 O ATOM 327 CG2 THR A 23 49.866 0.388 3.943 1.00 0.00 C ATOM 0 H THR A 23 51.014 1.979 2.404 1.00 0.00 H new ATOM 0 HA THR A 23 51.183 3.502 4.640 1.00 0.00 H new ATOM 0 HB THR A 23 49.154 2.390 4.200 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.755 1.141 6.143 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.891 -0.072 4.104 1.00 0.00 H new ATOM 0 HG22 THR A 23 50.030 0.525 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 23 50.644 -0.258 4.350 1.00 0.00 H new ATOM 335 N CYS A 24 52.901 0.764 5.070 1.00 0.00 N ATOM 336 CA CYS A 24 53.859 0.090 5.906 1.00 0.00 C ATOM 337 C CYS A 24 55.312 0.441 5.512 1.00 0.00 C ATOM 338 O CYS A 24 56.186 -0.430 5.559 1.00 0.00 O ATOM 339 CB CYS A 24 53.592 -1.418 5.820 1.00 0.00 C ATOM 340 SG CYS A 24 54.404 -2.456 7.086 1.00 0.00 S ATOM 0 H CYS A 24 52.732 0.300 4.177 1.00 0.00 H new ATOM 0 HA CYS A 24 53.743 0.423 6.937 1.00 0.00 H new ATOM 0 HB2 CYS A 24 52.516 -1.579 5.884 1.00 0.00 H new ATOM 0 HB3 CYS A 24 53.909 -1.766 4.837 1.00 0.00 H new ATOM 345 N ASP A 25 55.581 1.687 5.083 1.00 0.00 N ATOM 346 CA ASP A 25 56.971 2.098 4.833 1.00 0.00 C ATOM 347 C ASP A 25 57.423 3.244 5.747 1.00 0.00 C ATOM 348 O ASP A 25 58.246 3.012 6.629 1.00 0.00 O ATOM 349 CB ASP A 25 57.299 2.390 3.339 1.00 0.00 C ATOM 350 CG ASP A 25 56.437 3.426 2.617 1.00 0.00 C ATOM 351 OD1 ASP A 25 56.110 4.479 3.198 1.00 0.00 O ATOM 352 OD2 ASP A 25 56.123 3.191 1.430 1.00 0.00 O ATOM 0 H ASP A 25 54.879 2.405 4.907 1.00 0.00 H new ATOM 0 HA ASP A 25 57.561 1.219 5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 25 58.337 2.716 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.228 1.451 2.789 1.00 0.00 H new ATOM 357 N LEU A 26 56.914 4.460 5.551 1.00 0.00 N ATOM 358 CA LEU A 26 57.325 5.607 6.374 1.00 0.00 C ATOM 359 C LEU A 26 56.407 6.830 6.249 1.00 0.00 C ATOM 360 O LEU A 26 56.443 7.702 7.120 1.00 0.00 O ATOM 361 CB LEU A 26 58.755 6.050 6.022 1.00 0.00 C ATOM 362 CG LEU A 26 59.882 5.281 6.721 1.00 0.00 C ATOM 363 CD1 LEU A 26 61.238 5.744 6.216 1.00 0.00 C ATOM 364 CD2 LEU A 26 59.788 5.445 8.234 1.00 0.00 C ATOM 0 H LEU A 26 56.221 4.680 4.836 1.00 0.00 H new ATOM 0 HA LEU A 26 57.264 5.247 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 26 58.890 5.955 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 26 58.858 7.108 6.264 1.00 0.00 H new ATOM 0 HG LEU A 26 59.771 4.223 6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 26 62.025 5.187 6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 26 61.305 5.570 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 26 61.358 6.808 6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 26 60.597 4.891 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 26 59.870 6.501 8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 26 58.830 5.060 8.583 1.00 0.00 H new ATOM 376 N ASP A 27 55.622 6.940 5.176 1.00 0.00 N ATOM 377 CA ASP A 27 54.885 8.190 4.928 1.00 0.00 C ATOM 378 C ASP A 27 53.733 8.002 3.928 1.00 0.00 C ATOM 379 O ASP A 27 53.520 6.901 3.421 1.00 0.00 O ATOM 380 CB ASP A 27 55.886 9.249 4.411 1.00 0.00 C ATOM 381 CG ASP A 27 55.303 10.647 4.238 1.00 0.00 C ATOM 382 OD1 ASP A 27 54.839 11.241 5.237 1.00 0.00 O ATOM 383 OD2 ASP A 27 55.330 11.170 3.101 1.00 0.00 O ATOM 0 H ASP A 27 55.479 6.207 4.482 1.00 0.00 H new ATOM 0 HA ASP A 27 54.429 8.518 5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.726 9.304 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.284 8.915 3.453 1.00 0.00 H new ATOM 388 N ASP A 28 52.983 9.100 3.722 1.00 0.00 N ATOM 389 CA ASP A 28 51.994 9.280 2.636 1.00 0.00 C ATOM 390 C ASP A 28 50.535 9.101 3.072 1.00 0.00 C ATOM 391 O ASP A 28 49.824 10.097 3.241 1.00 0.00 O ATOM 392 CB ASP A 28 52.282 8.426 1.389 1.00 0.00 C ATOM 393 CG ASP A 28 51.274 8.682 0.275 1.00 0.00 C ATOM 394 OD1 ASP A 28 50.665 9.777 0.239 1.00 0.00 O ATOM 395 OD2 ASP A 28 51.074 7.792 -0.573 1.00 0.00 O ATOM 0 H ASP A 28 53.049 9.918 4.328 1.00 0.00 H new ATOM 0 HA ASP A 28 52.121 10.327 2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 28 53.286 8.643 1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 28 52.262 7.370 1.660 1.00 0.00 H new ATOM 400 N ASP A 29 50.070 7.865 3.238 1.00 0.00 N ATOM 401 CA ASP A 29 48.628 7.625 3.327 1.00 0.00 C ATOM 402 C ASP A 29 48.032 7.913 4.709 1.00 0.00 C ATOM 403 O ASP A 29 47.791 9.073 5.049 1.00 0.00 O ATOM 404 CB ASP A 29 48.245 6.225 2.812 1.00 0.00 C ATOM 405 CG ASP A 29 48.971 5.085 3.491 1.00 0.00 C ATOM 406 OD1 ASP A 29 50.071 4.725 3.035 1.00 0.00 O ATOM 407 OD2 ASP A 29 48.413 4.523 4.457 1.00 0.00 O ATOM 0 H ASP A 29 50.652 7.031 3.312 1.00 0.00 H new ATOM 0 HA ASP A 29 48.172 8.357 2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 29 47.172 6.085 2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 29 48.444 6.179 1.741 1.00 0.00 H new ATOM 412 N CYS A 30 47.750 6.881 5.482 1.00 0.00 N ATOM 413 CA CYS A 30 47.070 7.057 6.748 1.00 0.00 C ATOM 414 C CYS A 30 47.059 5.763 7.534 1.00 0.00 C ATOM 415 O CYS A 30 47.126 5.783 8.761 1.00 0.00 O ATOM 416 CB CYS A 30 45.634 7.526 6.525 1.00 0.00 C ATOM 417 SG CYS A 30 44.604 6.342 5.595 1.00 0.00 S ATOM 0 H CYS A 30 47.982 5.914 5.254 1.00 0.00 H new ATOM 0 HA CYS A 30 47.611 7.814 7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 30 45.169 7.714 7.493 1.00 0.00 H new ATOM 0 HB3 CYS A 30 45.651 8.475 5.990 1.00 0.00 H new ATOM 422 N GLY A 31 46.985 4.640 6.819 1.00 0.00 N ATOM 423 CA GLY A 31 46.841 3.347 7.454 1.00 0.00 C ATOM 424 C GLY A 31 45.643 3.290 8.376 1.00 0.00 C ATOM 425 O GLY A 31 44.512 3.053 7.950 1.00 0.00 O ATOM 0 H GLY A 31 47.023 4.609 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.744 2.577 6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 31 47.744 3.121 8.021 1.00 0.00 H new ATOM 429 N ASP A 32 45.908 3.563 9.634 1.00 0.00 N ATOM 430 CA ASP A 32 44.895 3.541 10.685 1.00 0.00 C ATOM 431 C ASP A 32 44.918 4.876 11.404 1.00 0.00 C ATOM 432 O ASP A 32 45.005 4.927 12.633 1.00 0.00 O ATOM 433 CB ASP A 32 45.182 2.425 11.698 1.00 0.00 C ATOM 434 CG ASP A 32 45.107 1.036 11.103 1.00 0.00 C ATOM 435 OD1 ASP A 32 44.009 0.438 11.133 1.00 0.00 O ATOM 436 OD2 ASP A 32 46.149 0.531 10.633 1.00 0.00 O ATOM 0 H ASP A 32 46.840 3.810 9.968 1.00 0.00 H new ATOM 0 HA ASP A 32 43.920 3.358 10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.174 2.577 12.122 1.00 0.00 H new ATOM 0 HB3 ASP A 32 44.469 2.499 12.519 1.00 0.00 H new ATOM 441 N ARG A 33 44.872 5.954 10.615 1.00 0.00 N ATOM 442 CA ARG A 33 45.175 7.314 11.084 1.00 0.00 C ATOM 443 C ARG A 33 46.680 7.463 11.272 1.00 0.00 C ATOM 444 O ARG A 33 47.256 8.511 10.999 1.00 0.00 O ATOM 445 CB ARG A 33 44.465 7.665 12.396 1.00 0.00 C ATOM 446 CG ARG A 33 45.055 8.896 13.065 1.00 0.00 C ATOM 447 CD ARG A 33 44.643 9.001 14.524 1.00 0.00 C ATOM 448 NE ARG A 33 45.196 10.198 15.164 1.00 0.00 N ATOM 449 CZ ARG A 33 46.196 10.187 16.050 1.00 0.00 C ATOM 450 NH1 ARG A 33 46.809 9.058 16.369 1.00 0.00 N ATOM 451 NH2 ARG A 33 46.594 11.319 16.609 1.00 0.00 N ATOM 0 H ARG A 33 44.622 5.910 9.627 1.00 0.00 H new ATOM 0 HA ARG A 33 44.809 8.003 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 33 43.407 7.835 12.199 1.00 0.00 H new ATOM 0 HB3 ARG A 33 44.530 6.818 13.079 1.00 0.00 H new ATOM 0 HG2 ARG A 33 46.142 8.860 12.997 1.00 0.00 H new ATOM 0 HG3 ARG A 33 44.731 9.789 12.531 1.00 0.00 H new ATOM 0 HD2 ARG A 33 43.555 9.022 14.593 1.00 0.00 H new ATOM 0 HD3 ARG A 33 44.980 8.114 15.061 1.00 0.00 H new ATOM 0 HE ARG A 33 44.790 11.100 14.916 1.00 0.00 H new ATOM 0 HH11 ARG A 33 46.519 8.181 15.937 1.00 0.00 H new ATOM 0 HH12 ARG A 33 47.571 9.065 17.047 1.00 0.00 H new ATOM 0 HH21 ARG A 33 46.137 12.197 16.363 1.00 0.00 H new ATOM 0 HH22 ARG A 33 47.357 11.313 17.286 1.00 0.00 H new ATOM 465 N SER A 34 47.294 6.398 11.747 1.00 0.00 N ATOM 466 CA SER A 34 48.714 6.345 11.948 1.00 0.00 C ATOM 467 C SER A 34 49.243 5.081 11.294 1.00 0.00 C ATOM 468 O SER A 34 49.338 4.021 11.915 1.00 0.00 O ATOM 469 CB SER A 34 49.043 6.394 13.440 1.00 0.00 C ATOM 470 OG SER A 34 48.478 7.552 14.037 1.00 0.00 O ATOM 0 H SER A 34 46.808 5.539 12.005 1.00 0.00 H new ATOM 0 HA SER A 34 49.196 7.209 11.490 1.00 0.00 H new ATOM 0 HB2 SER A 34 48.660 5.500 13.932 1.00 0.00 H new ATOM 0 HB3 SER A 34 50.124 6.396 13.580 1.00 0.00 H new ATOM 0 HG SER A 34 48.696 7.567 14.992 1.00 0.00 H new ATOM 476 N ASP A 35 49.524 5.221 10.014 1.00 0.00 N ATOM 477 CA ASP A 35 50.062 4.152 9.165 1.00 0.00 C ATOM 478 C ASP A 35 51.420 3.656 9.676 1.00 0.00 C ATOM 479 O ASP A 35 51.945 2.656 9.199 1.00 0.00 O ATOM 480 CB ASP A 35 50.190 4.656 7.720 1.00 0.00 C ATOM 481 CG ASP A 35 50.657 6.106 7.624 1.00 0.00 C ATOM 482 OD1 ASP A 35 51.171 6.650 8.630 1.00 0.00 O ATOM 483 OD2 ASP A 35 50.457 6.715 6.560 1.00 0.00 O ATOM 0 H ASP A 35 49.385 6.099 9.514 1.00 0.00 H new ATOM 0 HA ASP A 35 49.370 3.310 9.198 1.00 0.00 H new ATOM 0 HB2 ASP A 35 50.892 4.019 7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 35 49.225 4.559 7.222 1.00 0.00 H new ATOM 488 N GLU A 36 51.922 4.300 10.722 1.00 0.00 N ATOM 489 CA GLU A 36 53.228 3.987 11.286 1.00 0.00 C ATOM 490 C GLU A 36 53.055 3.149 12.544 1.00 0.00 C ATOM 491 O GLU A 36 53.990 2.958 13.323 1.00 0.00 O ATOM 492 CB GLU A 36 53.956 5.282 11.657 1.00 0.00 C ATOM 493 CG GLU A 36 54.396 6.123 10.473 1.00 0.00 C ATOM 494 CD GLU A 36 55.681 5.623 9.854 1.00 0.00 C ATOM 495 OE1 GLU A 36 56.756 5.834 10.465 1.00 0.00 O ATOM 496 OE2 GLU A 36 55.617 5.012 8.771 1.00 0.00 O ATOM 0 H GLU A 36 51.434 5.055 11.204 1.00 0.00 H new ATOM 0 HA GLU A 36 53.808 3.434 10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 36 53.302 5.883 12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 36 54.833 5.032 12.254 1.00 0.00 H new ATOM 0 HG2 GLU A 36 53.609 6.123 9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 36 54.529 7.156 10.795 1.00 0.00 H new ATOM 503 N SER A 37 51.848 2.650 12.735 1.00 0.00 N ATOM 504 CA SER A 37 51.531 1.793 13.859 1.00 0.00 C ATOM 505 C SER A 37 50.306 0.953 13.523 1.00 0.00 C ATOM 506 O SER A 37 49.852 0.957 12.374 1.00 0.00 O ATOM 507 CB SER A 37 51.273 2.633 15.117 1.00 0.00 C ATOM 508 OG SER A 37 52.421 3.389 15.477 1.00 0.00 O ATOM 0 H SER A 37 51.059 2.829 12.113 1.00 0.00 H new ATOM 0 HA SER A 37 52.376 1.134 14.057 1.00 0.00 H new ATOM 0 HB2 SER A 37 50.433 3.305 14.942 1.00 0.00 H new ATOM 0 HB3 SER A 37 50.992 1.979 15.942 1.00 0.00 H new ATOM 0 HG SER A 37 53.185 3.103 14.934 1.00 0.00 H new ATOM 514 N ALA A 38 49.807 0.223 14.520 1.00 0.00 N ATOM 515 CA ALA A 38 48.554 -0.528 14.422 1.00 0.00 C ATOM 516 C ALA A 38 48.660 -1.744 13.510 1.00 0.00 C ATOM 517 O ALA A 38 48.621 -2.881 13.982 1.00 0.00 O ATOM 518 CB ALA A 38 47.404 0.371 13.987 1.00 0.00 C ATOM 0 H ALA A 38 50.265 0.135 15.427 1.00 0.00 H new ATOM 0 HA ALA A 38 48.345 -0.902 15.424 1.00 0.00 H new ATOM 0 HB1 ALA A 38 46.488 -0.216 13.923 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.273 1.172 14.715 1.00 0.00 H new ATOM 0 HB3 ALA A 38 47.628 0.801 13.011 1.00 0.00 H new ATOM 524 N SER A 39 48.829 -1.513 12.220 1.00 0.00 N ATOM 525 CA SER A 39 48.830 -2.597 11.258 1.00 0.00 C ATOM 526 C SER A 39 50.239 -2.894 10.762 1.00 0.00 C ATOM 527 O SER A 39 50.582 -4.050 10.513 1.00 0.00 O ATOM 528 CB SER A 39 47.907 -2.257 10.084 1.00 0.00 C ATOM 529 OG SER A 39 46.571 -2.069 10.528 1.00 0.00 O ATOM 0 H SER A 39 48.967 -0.586 11.817 1.00 0.00 H new ATOM 0 HA SER A 39 48.458 -3.494 11.754 1.00 0.00 H new ATOM 0 HB2 SER A 39 48.260 -1.353 9.588 1.00 0.00 H new ATOM 0 HB3 SER A 39 47.940 -3.059 9.346 1.00 0.00 H new ATOM 0 HG SER A 39 46.477 -1.173 10.913 1.00 0.00 H new ATOM 535 N CYS A 40 51.066 -1.869 10.624 1.00 0.00 N ATOM 536 CA CYS A 40 52.437 -2.085 10.230 1.00 0.00 C ATOM 537 C CYS A 40 53.305 -2.195 11.471 1.00 0.00 C ATOM 538 O CYS A 40 53.427 -1.241 12.237 1.00 0.00 O ATOM 539 CB CYS A 40 52.935 -0.973 9.315 1.00 0.00 C ATOM 540 SG CYS A 40 54.623 -1.255 8.698 1.00 0.00 S ATOM 0 H CYS A 40 50.810 -0.894 10.778 1.00 0.00 H new ATOM 0 HA CYS A 40 52.497 -3.015 9.665 1.00 0.00 H new ATOM 0 HB2 CYS A 40 52.256 -0.878 8.467 1.00 0.00 H new ATOM 0 HB3 CYS A 40 52.906 -0.027 9.855 1.00 0.00 H new ATOM 545 N ALA A 41 53.881 -3.371 11.682 1.00 0.00 N ATOM 546 CA ALA A 41 54.724 -3.610 12.846 1.00 0.00 C ATOM 547 C ALA A 41 56.142 -3.106 12.611 1.00 0.00 C ATOM 548 O ALA A 41 56.928 -2.999 13.548 1.00 0.00 O ATOM 549 CB ALA A 41 54.738 -5.093 13.193 1.00 0.00 C ATOM 0 H ALA A 41 53.780 -4.175 11.062 1.00 0.00 H new ATOM 0 HA ALA A 41 54.305 -3.056 13.686 1.00 0.00 H new ATOM 0 HB1 ALA A 41 55.372 -5.257 14.065 1.00 0.00 H new ATOM 0 HB2 ALA A 41 53.724 -5.424 13.415 1.00 0.00 H new ATOM 0 HB3 ALA A 41 55.129 -5.661 12.348 1.00 0.00 H new ATOM 555 N TYR A 42 56.445 -2.801 11.348 1.00 0.00 N ATOM 556 CA TYR A 42 57.769 -2.319 10.938 1.00 0.00 C ATOM 557 C TYR A 42 58.904 -3.179 11.508 1.00 0.00 C ATOM 558 O TYR A 42 59.695 -2.723 12.332 1.00 0.00 O ATOM 559 CB TYR A 42 57.949 -0.846 11.328 1.00 0.00 C ATOM 560 CG TYR A 42 57.140 0.098 10.470 1.00 0.00 C ATOM 561 CD1 TYR A 42 57.515 0.345 9.156 1.00 0.00 C ATOM 562 CD2 TYR A 42 55.999 0.735 10.959 1.00 0.00 C ATOM 563 CE1 TYR A 42 56.780 1.191 8.356 1.00 0.00 C ATOM 564 CE2 TYR A 42 55.264 1.587 10.156 1.00 0.00 C ATOM 565 CZ TYR A 42 55.662 1.810 8.857 1.00 0.00 C ATOM 566 OH TYR A 42 54.938 2.641 8.047 1.00 0.00 O ATOM 0 H TYR A 42 55.780 -2.881 10.579 1.00 0.00 H new ATOM 0 HA TYR A 42 57.823 -2.404 9.853 1.00 0.00 H new ATOM 0 HB2 TYR A 42 57.662 -0.715 12.371 1.00 0.00 H new ATOM 0 HB3 TYR A 42 59.004 -0.583 11.252 1.00 0.00 H new ATOM 0 HD1 TYR A 42 58.396 -0.134 8.755 1.00 0.00 H new ATOM 0 HD2 TYR A 42 55.686 0.560 11.978 1.00 0.00 H new ATOM 0 HE1 TYR A 42 57.083 1.367 7.335 1.00 0.00 H new ATOM 0 HE2 TYR A 42 54.383 2.075 10.545 1.00 0.00 H new ATOM 0 HH TYR A 42 55.338 3.536 8.055 1.00 0.00 H new ATOM 576 N PRO A 43 59.001 -4.446 11.069 1.00 0.00 N ATOM 577 CA PRO A 43 60.018 -5.376 11.563 1.00 0.00 C ATOM 578 C PRO A 43 61.395 -5.093 10.976 1.00 0.00 C ATOM 579 O PRO A 43 62.402 -5.121 11.683 1.00 0.00 O ATOM 580 CB PRO A 43 59.517 -6.753 11.099 1.00 0.00 C ATOM 581 CG PRO A 43 58.162 -6.519 10.512 1.00 0.00 C ATOM 582 CD PRO A 43 58.133 -5.083 10.077 1.00 0.00 C ATOM 0 HA PRO A 43 60.141 -5.297 12.643 1.00 0.00 H new ATOM 0 HB2 PRO A 43 60.193 -7.186 10.362 1.00 0.00 H new ATOM 0 HB3 PRO A 43 59.466 -7.452 11.934 1.00 0.00 H new ATOM 0 HG2 PRO A 43 57.984 -7.185 9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 43 57.381 -6.719 11.245 1.00 0.00 H new ATOM 0 HD2 PRO A 43 58.511 -4.956 9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 43 57.124 -4.672 10.094 1.00 0.00 H new ATOM 590 N THR A 44 61.427 -4.816 9.681 1.00 0.00 N ATOM 591 CA THR A 44 62.677 -4.588 8.966 1.00 0.00 C ATOM 592 C THR A 44 62.380 -3.911 7.634 1.00 0.00 C ATOM 593 O THR A 44 63.168 -3.990 6.692 1.00 0.00 O ATOM 594 CB THR A 44 63.424 -5.927 8.719 1.00 0.00 C ATOM 595 OG1 THR A 44 64.713 -5.683 8.141 1.00 0.00 O ATOM 596 CG2 THR A 44 62.627 -6.854 7.801 1.00 0.00 C ATOM 0 H THR A 44 60.593 -4.743 9.098 1.00 0.00 H new ATOM 0 HA THR A 44 63.316 -3.946 9.573 1.00 0.00 H new ATOM 0 HB THR A 44 63.542 -6.415 9.686 1.00 0.00 H new ATOM 0 HG1 THR A 44 64.627 -5.034 7.412 1.00 0.00 H new ATOM 0 HG21 THR A 44 63.180 -7.781 7.651 1.00 0.00 H new ATOM 0 HG22 THR A 44 61.663 -7.077 8.258 1.00 0.00 H new ATOM 0 HG23 THR A 44 62.469 -6.366 6.839 1.00 0.00 H new ATOM 604 N CYS A 45 61.250 -3.201 7.592 1.00 0.00 N ATOM 605 CA CYS A 45 60.657 -2.744 6.337 1.00 0.00 C ATOM 606 C CYS A 45 60.208 -3.958 5.531 1.00 0.00 C ATOM 607 O CYS A 45 60.313 -5.087 6.005 1.00 0.00 O ATOM 608 CB CYS A 45 61.631 -1.892 5.506 1.00 0.00 C ATOM 609 SG CYS A 45 62.364 -0.482 6.398 1.00 0.00 S ATOM 0 H CYS A 45 60.724 -2.929 8.423 1.00 0.00 H new ATOM 0 HA CYS A 45 59.805 -2.109 6.578 1.00 0.00 H new ATOM 0 HB2 CYS A 45 62.435 -2.533 5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 45 61.105 -1.515 4.629 1.00 0.00 H new ATOM 614 N PHE A 46 59.683 -3.708 4.342 1.00 0.00 N ATOM 615 CA PHE A 46 59.303 -4.759 3.399 1.00 0.00 C ATOM 616 C PHE A 46 58.471 -5.892 4.021 1.00 0.00 C ATOM 617 O PHE A 46 59.002 -6.915 4.450 1.00 0.00 O ATOM 618 CB PHE A 46 60.532 -5.351 2.693 1.00 0.00 C ATOM 619 CG PHE A 46 60.195 -6.560 1.867 1.00 0.00 C ATOM 620 CD1 PHE A 46 59.022 -6.594 1.136 1.00 0.00 C ATOM 621 CD2 PHE A 46 61.016 -7.670 1.864 1.00 0.00 C ATOM 622 CE1 PHE A 46 58.670 -7.706 0.412 1.00 0.00 C ATOM 623 CE2 PHE A 46 60.680 -8.791 1.134 1.00 0.00 C ATOM 624 CZ PHE A 46 59.499 -8.814 0.408 1.00 0.00 C ATOM 0 H PHE A 46 59.506 -2.764 3.998 1.00 0.00 H new ATOM 0 HA PHE A 46 58.663 -4.261 2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 46 60.980 -4.591 2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 46 61.280 -5.621 3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 46 58.372 -5.732 1.135 1.00 0.00 H new ATOM 0 HD2 PHE A 46 61.930 -7.660 2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 46 57.749 -7.716 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 46 61.336 -9.649 1.128 1.00 0.00 H new ATOM 0 HZ PHE A 46 59.227 -9.693 -0.158 1.00 0.00 H new ATOM 634 N PRO A 47 57.158 -5.704 4.108 1.00 0.00 N ATOM 635 CA PRO A 47 56.217 -6.791 4.314 1.00 0.00 C ATOM 636 C PRO A 47 55.422 -7.113 3.037 1.00 0.00 C ATOM 637 O PRO A 47 54.519 -7.947 3.050 1.00 0.00 O ATOM 638 CB PRO A 47 55.296 -6.180 5.362 1.00 0.00 C ATOM 639 CG PRO A 47 55.255 -4.717 5.018 1.00 0.00 C ATOM 640 CD PRO A 47 56.468 -4.414 4.156 1.00 0.00 C ATOM 0 HA PRO A 47 56.690 -7.731 4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 47 54.302 -6.625 5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 47 55.679 -6.340 6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 47 54.336 -4.475 4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 47 55.267 -4.110 5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 47 56.183 -4.070 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 47 57.093 -3.636 4.595 1.00 0.00 H new ATOM 648 N LEU A 48 55.764 -6.434 1.936 1.00 0.00 N ATOM 649 CA LEU A 48 54.917 -6.427 0.740 1.00 0.00 C ATOM 650 C LEU A 48 55.749 -6.494 -0.538 1.00 0.00 C ATOM 651 O LEU A 48 55.789 -7.513 -1.221 1.00 0.00 O ATOM 652 CB LEU A 48 54.079 -5.142 0.751 1.00 0.00 C ATOM 653 CG LEU A 48 53.455 -4.836 2.103 1.00 0.00 C ATOM 654 CD1 LEU A 48 53.195 -3.344 2.255 1.00 0.00 C ATOM 655 CD2 LEU A 48 52.166 -5.625 2.294 1.00 0.00 C ATOM 0 H LEU A 48 56.619 -5.884 1.849 1.00 0.00 H new ATOM 0 HA LEU A 48 54.274 -7.307 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 48 54.709 -4.304 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 48 53.288 -5.227 0.006 1.00 0.00 H new ATOM 0 HG LEU A 48 54.161 -5.140 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 48 52.748 -3.150 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 48 54.136 -2.800 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 48 52.514 -3.012 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 48 51.737 -5.390 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 48 51.456 -5.358 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 48 52.381 -6.692 2.240 1.00 0.00 H new ATOM 667 N THR A 49 56.424 -5.396 -0.836 1.00 0.00 N ATOM 668 CA THR A 49 57.229 -5.271 -2.035 1.00 0.00 C ATOM 669 C THR A 49 58.159 -4.073 -1.871 1.00 0.00 C ATOM 670 O THR A 49 57.846 -2.951 -2.258 1.00 0.00 O ATOM 671 CB THR A 49 56.340 -5.142 -3.304 1.00 0.00 C ATOM 672 OG1 THR A 49 57.133 -4.838 -4.454 1.00 0.00 O ATOM 673 CG2 THR A 49 55.257 -4.085 -3.131 1.00 0.00 C ATOM 0 H THR A 49 56.427 -4.563 -0.248 1.00 0.00 H new ATOM 0 HA THR A 49 57.826 -6.173 -2.172 1.00 0.00 H new ATOM 0 HB THR A 49 55.854 -6.106 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 49 56.553 -4.763 -5.241 1.00 0.00 H new ATOM 0 HG21 THR A 49 54.658 -4.026 -4.040 1.00 0.00 H new ATOM 0 HG22 THR A 49 54.617 -4.354 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 49 55.720 -3.117 -2.938 1.00 0.00 H new ATOM 681 N GLN A 50 59.299 -4.316 -1.249 1.00 0.00 N ATOM 682 CA GLN A 50 60.128 -3.234 -0.752 1.00 0.00 C ATOM 683 C GLN A 50 61.598 -3.618 -0.660 1.00 0.00 C ATOM 684 O GLN A 50 61.973 -4.785 -0.752 1.00 0.00 O ATOM 685 CB GLN A 50 59.663 -2.802 0.644 1.00 0.00 C ATOM 686 CG GLN A 50 58.611 -1.702 0.674 1.00 0.00 C ATOM 687 CD GLN A 50 58.304 -1.265 2.094 1.00 0.00 C ATOM 688 OE1 GLN A 50 59.142 -1.386 2.985 1.00 0.00 O ATOM 689 NE2 GLN A 50 57.126 -0.717 2.311 1.00 0.00 N ATOM 0 H GLN A 50 59.670 -5.250 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 50 60.024 -2.418 -1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 50 59.265 -3.675 1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 50 60.532 -2.465 1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 50 58.961 -0.846 0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 50 57.698 -2.057 0.196 1.00 0.00 H new ATOM 0 HE21 GLN A 50 56.454 -0.633 1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 50 56.885 -0.377 3.242 1.00 0.00 H new ATOM 698 N PHE A 51 62.401 -2.588 -0.478 1.00 0.00 N ATOM 699 CA PHE A 51 63.807 -2.689 -0.122 1.00 0.00 C ATOM 700 C PHE A 51 63.988 -1.906 1.175 1.00 0.00 C ATOM 701 O PHE A 51 63.224 -0.977 1.449 1.00 0.00 O ATOM 702 CB PHE A 51 64.662 -2.102 -1.265 1.00 0.00 C ATOM 703 CG PHE A 51 66.154 -1.947 -1.010 1.00 0.00 C ATOM 704 CD1 PHE A 51 66.648 -0.930 -0.207 1.00 0.00 C ATOM 705 CD2 PHE A 51 67.065 -2.794 -1.617 1.00 0.00 C ATOM 706 CE1 PHE A 51 68.010 -0.779 -0.007 1.00 0.00 C ATOM 707 CE2 PHE A 51 68.422 -2.640 -1.423 1.00 0.00 C ATOM 708 CZ PHE A 51 68.895 -1.634 -0.618 1.00 0.00 C ATOM 0 H PHE A 51 62.084 -1.624 -0.577 1.00 0.00 H new ATOM 0 HA PHE A 51 64.123 -3.722 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 51 64.534 -2.736 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 51 64.259 -1.121 -1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 51 65.961 -0.246 0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 51 66.707 -3.590 -2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 51 68.377 0.012 0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 51 69.115 -3.313 -1.906 1.00 0.00 H new ATOM 0 HZ PHE A 51 69.958 -1.515 -0.466 1.00 0.00 H new ATOM 718 N THR A 52 64.981 -2.251 1.962 1.00 0.00 N ATOM 719 CA THR A 52 65.204 -1.569 3.215 1.00 0.00 C ATOM 720 C THR A 52 66.381 -0.631 3.062 1.00 0.00 C ATOM 721 O THR A 52 67.537 -1.031 3.205 1.00 0.00 O ATOM 722 CB THR A 52 65.476 -2.572 4.347 1.00 0.00 C ATOM 723 OG1 THR A 52 64.444 -3.567 4.360 1.00 0.00 O ATOM 724 CG2 THR A 52 65.545 -1.875 5.702 1.00 0.00 C ATOM 0 H THR A 52 65.645 -2.998 1.757 1.00 0.00 H new ATOM 0 HA THR A 52 64.309 -1.004 3.475 1.00 0.00 H new ATOM 0 HB THR A 52 66.442 -3.043 4.165 1.00 0.00 H new ATOM 0 HG1 THR A 52 64.248 -3.823 5.285 1.00 0.00 H new ATOM 0 HG21 THR A 52 65.739 -2.612 6.481 1.00 0.00 H new ATOM 0 HG22 THR A 52 66.348 -1.138 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 52 64.597 -1.375 5.903 1.00 0.00 H new ATOM 732 N CYS A 53 66.069 0.605 2.690 1.00 0.00 N ATOM 733 CA CYS A 53 67.083 1.612 2.428 1.00 0.00 C ATOM 734 C CYS A 53 68.033 1.768 3.608 1.00 0.00 C ATOM 735 O CYS A 53 67.607 1.879 4.760 1.00 0.00 O ATOM 736 CB CYS A 53 66.415 2.936 2.116 1.00 0.00 C ATOM 737 SG CYS A 53 67.521 4.191 1.427 1.00 0.00 S ATOM 0 H CYS A 53 65.112 0.933 2.563 1.00 0.00 H new ATOM 0 HA CYS A 53 67.672 1.288 1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 53 65.601 2.761 1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 53 65.967 3.327 3.030 1.00 0.00 H new ATOM 742 N ASN A 54 69.320 1.798 3.298 1.00 0.00 N ATOM 743 CA ASN A 54 70.364 1.831 4.313 1.00 0.00 C ATOM 744 C ASN A 54 70.319 3.127 5.107 1.00 0.00 C ATOM 745 O ASN A 54 70.621 3.143 6.297 1.00 0.00 O ATOM 746 CB ASN A 54 71.736 1.661 3.659 1.00 0.00 C ATOM 747 CG ASN A 54 71.899 0.298 3.020 1.00 0.00 C ATOM 748 OD1 ASN A 54 72.400 -0.635 3.643 1.00 0.00 O ATOM 749 ND2 ASN A 54 71.461 0.166 1.777 1.00 0.00 N ATOM 0 H ASN A 54 69.670 1.800 2.340 1.00 0.00 H new ATOM 0 HA ASN A 54 70.191 1.006 5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 54 71.875 2.434 2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 54 72.514 1.805 4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 54 71.534 -0.735 1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 54 71.051 0.965 1.293 1.00 0.00 H new ATOM 756 N ASN A 55 69.918 4.207 4.450 1.00 0.00 N ATOM 757 CA ASN A 55 69.855 5.505 5.095 1.00 0.00 C ATOM 758 C ASN A 55 68.526 5.688 5.842 1.00 0.00 C ATOM 759 O ASN A 55 68.014 6.798 5.962 1.00 0.00 O ATOM 760 CB ASN A 55 70.070 6.610 4.056 1.00 0.00 C ATOM 761 CG ASN A 55 70.326 7.980 4.667 1.00 0.00 C ATOM 762 OD1 ASN A 55 70.764 8.102 5.811 1.00 0.00 O ATOM 763 ND2 ASN A 55 70.099 9.023 3.882 1.00 0.00 N ATOM 0 H ASN A 55 69.632 4.207 3.471 1.00 0.00 H new ATOM 0 HA ASN A 55 70.650 5.568 5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 55 70.914 6.341 3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 55 69.193 6.667 3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 55 70.288 9.967 4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 55 69.736 8.882 2.939 1.00 0.00 H new ATOM 770 N GLY A 56 67.953 4.584 6.314 1.00 0.00 N ATOM 771 CA GLY A 56 66.860 4.663 7.264 1.00 0.00 C ATOM 772 C GLY A 56 65.487 4.548 6.638 1.00 0.00 C ATOM 773 O GLY A 56 64.487 4.468 7.349 1.00 0.00 O ATOM 0 H GLY A 56 68.227 3.636 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 56 66.978 3.871 8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 56 66.925 5.611 7.799 1.00 0.00 H new ATOM 777 N ARG A 57 65.417 4.551 5.318 1.00 0.00 N ATOM 778 CA ARG A 57 64.129 4.504 4.648 1.00 0.00 C ATOM 779 C ARG A 57 63.702 3.069 4.369 1.00 0.00 C ATOM 780 O ARG A 57 64.513 2.149 4.393 1.00 0.00 O ATOM 781 CB ARG A 57 64.190 5.240 3.316 1.00 0.00 C ATOM 782 CG ARG A 57 64.978 6.531 3.347 1.00 0.00 C ATOM 783 CD ARG A 57 65.450 6.867 1.947 1.00 0.00 C ATOM 784 NE ARG A 57 66.440 7.939 1.909 1.00 0.00 N ATOM 785 CZ ARG A 57 67.121 8.271 0.807 1.00 0.00 C ATOM 786 NH1 ARG A 57 66.859 7.663 -0.345 1.00 0.00 N ATOM 787 NH2 ARG A 57 68.049 9.220 0.849 1.00 0.00 N ATOM 0 H ARG A 57 66.225 4.585 4.696 1.00 0.00 H new ATOM 0 HA ARG A 57 63.408 4.980 5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 57 64.630 4.578 2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 57 63.173 5.458 2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 57 64.359 7.339 3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 57 65.832 6.432 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 57 65.876 5.973 1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 57 64.591 7.155 1.341 1.00 0.00 H new ATOM 0 HE ARG A 57 66.622 8.461 2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 57 66.138 6.943 -0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 57 67.379 7.917 -1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 57 68.247 9.701 1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 57 68.564 9.467 0.004 1.00 0.00 H new ATOM 801 N CYS A 58 62.427 2.897 4.097 1.00 0.00 N ATOM 802 CA CYS A 58 61.928 1.675 3.495 1.00 0.00 C ATOM 803 C CYS A 58 61.449 2.040 2.096 1.00 0.00 C ATOM 804 O CYS A 58 60.560 2.876 1.949 1.00 0.00 O ATOM 805 CB CYS A 58 60.765 1.100 4.311 1.00 0.00 C ATOM 806 SG CYS A 58 61.051 1.041 6.115 1.00 0.00 S ATOM 0 H CYS A 58 61.708 3.595 4.285 1.00 0.00 H new ATOM 0 HA CYS A 58 62.710 0.917 3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 58 59.874 1.697 4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 58 60.555 0.091 3.957 1.00 0.00 H new ATOM 811 N ILE A 59 62.056 1.468 1.068 1.00 0.00 N ATOM 812 CA ILE A 59 61.732 1.881 -0.295 1.00 0.00 C ATOM 813 C ILE A 59 61.055 0.748 -1.056 1.00 0.00 C ATOM 814 O ILE A 59 61.027 -0.372 -0.578 1.00 0.00 O ATOM 815 CB ILE A 59 62.971 2.346 -1.086 1.00 0.00 C ATOM 816 CG1 ILE A 59 63.908 1.170 -1.347 1.00 0.00 C ATOM 817 CG2 ILE A 59 63.691 3.457 -0.336 1.00 0.00 C ATOM 818 CD1 ILE A 59 64.988 1.467 -2.360 1.00 0.00 C ATOM 0 H ILE A 59 62.760 0.733 1.143 1.00 0.00 H new ATOM 0 HA ILE A 59 61.053 2.728 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 59 62.644 2.740 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 59 64.375 0.874 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 59 63.321 0.319 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 59 64.564 3.775 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 59 63.016 4.303 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 59 64.010 3.090 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 59 65.614 0.585 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 59 64.530 1.734 -3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 59 65.600 2.297 -2.007 1.00 0.00 H new ATOM 830 N ASN A 60 60.520 1.034 -2.240 1.00 0.00 N ATOM 831 CA ASN A 60 59.888 -0.008 -3.059 1.00 0.00 C ATOM 832 C ASN A 60 60.944 -0.740 -3.890 1.00 0.00 C ATOM 833 O ASN A 60 62.041 -0.226 -4.099 1.00 0.00 O ATOM 834 CB ASN A 60 58.799 0.583 -3.962 1.00 0.00 C ATOM 835 CG ASN A 60 58.000 -0.483 -4.697 1.00 0.00 C ATOM 836 OD1 ASN A 60 58.349 -0.886 -5.804 1.00 0.00 O ATOM 837 ND2 ASN A 60 56.931 -0.957 -4.086 1.00 0.00 N ATOM 0 H ASN A 60 60.509 1.966 -2.654 1.00 0.00 H new ATOM 0 HA ASN A 60 59.411 -0.725 -2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 60 58.121 1.187 -3.359 1.00 0.00 H new ATOM 0 HB3 ASN A 60 59.260 1.251 -4.689 1.00 0.00 H new ATOM 0 HD21 ASN A 60 56.367 -1.680 -4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 60 56.669 -0.601 -3.167 1.00 0.00 H new ATOM 844 N ILE A 61 60.607 -1.931 -4.372 1.00 0.00 N ATOM 845 CA ILE A 61 61.595 -2.826 -4.969 1.00 0.00 C ATOM 846 C ILE A 61 61.762 -2.629 -6.495 1.00 0.00 C ATOM 847 O ILE A 61 62.306 -3.493 -7.190 1.00 0.00 O ATOM 848 CB ILE A 61 61.226 -4.289 -4.678 1.00 0.00 C ATOM 849 CG1 ILE A 61 62.440 -5.192 -4.910 1.00 0.00 C ATOM 850 CG2 ILE A 61 60.043 -4.723 -5.535 1.00 0.00 C ATOM 851 CD1 ILE A 61 62.170 -6.646 -4.650 1.00 0.00 C ATOM 0 H ILE A 61 59.656 -2.301 -4.362 1.00 0.00 H new ATOM 0 HA ILE A 61 62.551 -2.575 -4.510 1.00 0.00 H new ATOM 0 HB ILE A 61 60.929 -4.378 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.779 -5.073 -5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.255 -4.862 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 61 59.796 -5.762 -5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 61 59.183 -4.091 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 61 60.303 -4.627 -6.589 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.076 -7.223 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 61 61.861 -6.779 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 61 61.377 -6.993 -5.312 1.00 0.00 H new ATOM 863 N ASN A 62 61.347 -1.486 -7.018 1.00 0.00 N ATOM 864 CA ASN A 62 61.424 -1.255 -8.467 1.00 0.00 C ATOM 865 C ASN A 62 62.553 -0.287 -8.833 1.00 0.00 C ATOM 866 O ASN A 62 62.592 0.232 -9.946 1.00 0.00 O ATOM 867 CB ASN A 62 60.085 -0.735 -9.017 1.00 0.00 C ATOM 868 CG ASN A 62 59.786 0.711 -8.651 1.00 0.00 C ATOM 869 OD1 ASN A 62 60.114 1.637 -9.389 1.00 0.00 O ATOM 870 ND2 ASN A 62 59.142 0.914 -7.516 1.00 0.00 N ATOM 0 H ASN A 62 60.959 -0.712 -6.479 1.00 0.00 H new ATOM 0 HA ASN A 62 61.644 -2.218 -8.928 1.00 0.00 H new ATOM 0 HB2 ASN A 62 60.088 -0.831 -10.103 1.00 0.00 H new ATOM 0 HB3 ASN A 62 59.280 -1.368 -8.643 1.00 0.00 H new ATOM 0 HD21 ASN A 62 58.902 1.863 -7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 62 58.885 0.122 -6.927 1.00 0.00 H new ATOM 877 N TRP A 63 63.495 -0.076 -7.919 1.00 0.00 N ATOM 878 CA TRP A 63 64.561 0.908 -8.138 1.00 0.00 C ATOM 879 C TRP A 63 65.913 0.232 -8.396 1.00 0.00 C ATOM 880 O TRP A 63 66.968 0.881 -8.395 1.00 0.00 O ATOM 881 CB TRP A 63 64.637 1.863 -6.949 1.00 0.00 C ATOM 882 CG TRP A 63 63.448 2.776 -6.862 1.00 0.00 C ATOM 883 CD1 TRP A 63 62.491 2.967 -7.816 1.00 0.00 C ATOM 884 CD2 TRP A 63 63.099 3.631 -5.776 1.00 0.00 C ATOM 885 NE1 TRP A 63 61.560 3.878 -7.383 1.00 0.00 N ATOM 886 CE2 TRP A 63 61.911 4.303 -6.130 1.00 0.00 C ATOM 887 CE3 TRP A 63 63.671 3.884 -4.540 1.00 0.00 C ATOM 888 CZ2 TRP A 63 61.294 5.219 -5.282 1.00 0.00 C ATOM 889 CZ3 TRP A 63 63.061 4.792 -3.695 1.00 0.00 C ATOM 890 CH2 TRP A 63 61.881 5.449 -4.068 1.00 0.00 C ATOM 0 H TRP A 63 63.546 -0.566 -7.026 1.00 0.00 H new ATOM 0 HA TRP A 63 64.320 1.481 -9.033 1.00 0.00 H new ATOM 0 HB2 TRP A 63 64.714 1.285 -6.028 1.00 0.00 H new ATOM 0 HB3 TRP A 63 65.545 2.462 -7.026 1.00 0.00 H new ATOM 0 HD1 TRP A 63 62.469 2.472 -8.775 1.00 0.00 H new ATOM 0 HE1 TRP A 63 60.742 4.187 -7.908 1.00 0.00 H new ATOM 0 HE3 TRP A 63 64.578 3.380 -4.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 60.387 5.728 -5.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 63.501 4.999 -2.731 1.00 0.00 H new ATOM 0 HH2 TRP A 63 61.426 6.150 -3.384 1.00 0.00 H new ATOM 901 N ARG A 64 65.856 -1.075 -8.622 1.00 0.00 N ATOM 902 CA ARG A 64 67.036 -1.862 -8.973 1.00 0.00 C ATOM 903 C ARG A 64 67.623 -1.433 -10.321 1.00 0.00 C ATOM 904 O ARG A 64 67.042 -1.728 -11.371 1.00 0.00 O ATOM 905 CB ARG A 64 66.659 -3.350 -9.030 1.00 0.00 C ATOM 906 CG ARG A 64 67.828 -4.281 -9.314 1.00 0.00 C ATOM 907 CD ARG A 64 68.458 -4.809 -8.036 1.00 0.00 C ATOM 908 NE ARG A 64 67.540 -5.669 -7.289 1.00 0.00 N ATOM 909 CZ ARG A 64 67.927 -6.486 -6.308 1.00 0.00 C ATOM 910 NH1 ARG A 64 69.219 -6.646 -6.038 1.00 0.00 N ATOM 911 NH2 ARG A 64 67.021 -7.160 -5.604 1.00 0.00 N ATOM 0 H ARG A 64 64.995 -1.619 -8.568 1.00 0.00 H new ATOM 0 HA ARG A 64 67.793 -1.692 -8.208 1.00 0.00 H new ATOM 0 HB2 ARG A 64 66.205 -3.635 -8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 64 65.901 -3.492 -9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 64 67.485 -5.118 -9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 64 68.581 -3.750 -9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 64 69.361 -5.368 -8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 64 68.762 -3.971 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 64 66.550 -5.642 -7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 64 69.920 -6.143 -6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 64 69.509 -7.272 -5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 64 66.029 -7.052 -5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 64 67.319 -7.784 -4.854 1.00 0.00 H new ATOM 925 N CYS A 65 68.762 -0.739 -10.306 1.00 0.00 N ATOM 926 CA CYS A 65 69.437 -0.398 -11.552 1.00 0.00 C ATOM 927 C CYS A 65 70.729 -1.192 -11.738 1.00 0.00 C ATOM 928 O CYS A 65 71.064 -1.579 -12.863 1.00 0.00 O ATOM 929 CB CYS A 65 69.700 1.115 -11.674 1.00 0.00 C ATOM 930 SG CYS A 65 70.858 1.810 -10.449 1.00 0.00 S ATOM 0 H CYS A 65 69.227 -0.409 -9.460 1.00 0.00 H new ATOM 0 HA CYS A 65 68.757 -0.679 -12.356 1.00 0.00 H new ATOM 0 HB2 CYS A 65 70.088 1.320 -12.672 1.00 0.00 H new ATOM 0 HB3 CYS A 65 68.749 1.640 -11.588 1.00 0.00 H new ATOM 935 N ASP A 66 71.441 -1.454 -10.652 1.00 0.00 N ATOM 936 CA ASP A 66 72.703 -2.194 -10.743 1.00 0.00 C ATOM 937 C ASP A 66 72.869 -3.230 -9.623 1.00 0.00 C ATOM 938 O ASP A 66 72.974 -4.429 -9.898 1.00 0.00 O ATOM 939 CB ASP A 66 73.907 -1.232 -10.779 1.00 0.00 C ATOM 940 CG ASP A 66 74.087 -0.419 -9.511 1.00 0.00 C ATOM 941 OD1 ASP A 66 73.164 0.337 -9.147 1.00 0.00 O ATOM 942 OD2 ASP A 66 75.171 -0.517 -8.890 1.00 0.00 O ATOM 0 H ASP A 66 71.177 -1.173 -9.708 1.00 0.00 H new ATOM 0 HA ASP A 66 72.669 -2.748 -11.681 1.00 0.00 H new ATOM 0 HB2 ASP A 66 74.814 -1.809 -10.960 1.00 0.00 H new ATOM 0 HB3 ASP A 66 73.789 -0.550 -11.621 1.00 0.00 H new ATOM 947 N ASN A 67 72.885 -2.787 -8.378 1.00 0.00 N ATOM 948 CA ASN A 67 73.141 -3.670 -7.258 1.00 0.00 C ATOM 949 C ASN A 67 71.834 -4.135 -6.626 1.00 0.00 C ATOM 950 O ASN A 67 71.491 -5.320 -6.682 1.00 0.00 O ATOM 951 CB ASN A 67 74.032 -2.974 -6.220 1.00 0.00 C ATOM 952 CG ASN A 67 74.270 -3.822 -4.982 1.00 0.00 C ATOM 953 OD1 ASN A 67 75.156 -4.676 -4.959 1.00 0.00 O ATOM 954 ND2 ASN A 67 73.508 -3.567 -3.929 1.00 0.00 N ATOM 0 H ASN A 67 72.722 -1.814 -8.118 1.00 0.00 H new ATOM 0 HA ASN A 67 73.668 -4.550 -7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 67 74.991 -2.730 -6.677 1.00 0.00 H new ATOM 0 HB3 ASN A 67 73.570 -2.032 -5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 67 73.646 -4.086 -3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 67 72.783 -2.852 -3.985 1.00 0.00 H new ATOM 961 N ASP A 68 71.090 -3.203 -6.050 1.00 0.00 N ATOM 962 CA ASP A 68 69.811 -3.522 -5.439 1.00 0.00 C ATOM 963 C ASP A 68 68.831 -2.368 -5.650 1.00 0.00 C ATOM 964 O ASP A 68 68.632 -1.948 -6.767 1.00 0.00 O ATOM 965 CB ASP A 68 69.966 -3.874 -3.964 1.00 0.00 C ATOM 966 CG ASP A 68 68.972 -4.946 -3.550 1.00 0.00 C ATOM 967 OD1 ASP A 68 67.752 -4.698 -3.658 1.00 0.00 O ATOM 968 OD2 ASP A 68 69.405 -6.045 -3.148 1.00 0.00 O ATOM 0 H ASP A 68 71.351 -2.219 -5.993 1.00 0.00 H new ATOM 0 HA ASP A 68 69.405 -4.408 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 68 70.981 -4.223 -3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 68 69.817 -2.981 -3.356 1.00 0.00 H new ATOM 973 N ASN A 69 68.221 -1.831 -4.615 1.00 0.00 N ATOM 974 CA ASN A 69 67.231 -0.780 -4.842 1.00 0.00 C ATOM 975 C ASN A 69 67.716 0.591 -4.407 1.00 0.00 C ATOM 976 O ASN A 69 68.350 0.750 -3.360 1.00 0.00 O ATOM 977 CB ASN A 69 65.908 -1.129 -4.196 1.00 0.00 C ATOM 978 CG ASN A 69 65.167 -2.180 -4.986 1.00 0.00 C ATOM 979 OD1 ASN A 69 64.392 -1.853 -5.877 1.00 0.00 O ATOM 980 ND2 ASN A 69 65.413 -3.448 -4.688 1.00 0.00 N ATOM 0 H ASN A 69 68.378 -2.086 -3.640 1.00 0.00 H new ATOM 0 HA ASN A 69 67.079 -0.722 -5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 69 66.081 -1.489 -3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 69 65.293 -0.232 -4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 69 64.950 -4.193 -5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 69 66.065 -3.678 -3.939 1.00 0.00 H new ATOM 987 N ASP A 70 67.379 1.568 -5.241 1.00 0.00 N ATOM 988 CA ASP A 70 68.002 2.891 -5.238 1.00 0.00 C ATOM 989 C ASP A 70 67.603 3.755 -4.049 1.00 0.00 C ATOM 990 O ASP A 70 66.497 3.656 -3.526 1.00 0.00 O ATOM 991 CB ASP A 70 67.625 3.622 -6.519 1.00 0.00 C ATOM 992 CG ASP A 70 68.698 4.581 -6.976 1.00 0.00 C ATOM 993 OD1 ASP A 70 68.730 5.736 -6.485 1.00 0.00 O ATOM 994 OD2 ASP A 70 69.507 4.175 -7.832 1.00 0.00 O ATOM 0 H ASP A 70 66.654 1.464 -5.951 1.00 0.00 H new ATOM 0 HA ASP A 70 69.077 2.727 -5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 70 67.435 2.893 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 70 66.696 4.170 -6.361 1.00 0.00 H new ATOM 999 N CYS A 71 68.510 4.633 -3.660 1.00 0.00 N ATOM 1000 CA CYS A 71 68.281 5.546 -2.552 1.00 0.00 C ATOM 1001 C CYS A 71 69.024 6.865 -2.743 1.00 0.00 C ATOM 1002 O CYS A 71 68.474 7.947 -2.494 1.00 0.00 O ATOM 1003 CB CYS A 71 68.733 4.905 -1.244 1.00 0.00 C ATOM 1004 SG CYS A 71 67.567 3.703 -0.540 1.00 0.00 S ATOM 0 H CYS A 71 69.424 4.734 -4.101 1.00 0.00 H new ATOM 0 HA CYS A 71 67.212 5.755 -2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 71 69.689 4.408 -1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 71 68.907 5.693 -0.511 1.00 0.00 H new ATOM 1009 N GLY A 72 70.272 6.770 -3.166 1.00 0.00 N ATOM 1010 CA GLY A 72 71.119 7.937 -3.272 1.00 0.00 C ATOM 1011 C GLY A 72 72.127 7.978 -2.141 1.00 0.00 C ATOM 1012 O GLY A 72 72.706 9.021 -1.845 1.00 0.00 O ATOM 0 H GLY A 72 70.718 5.895 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.640 7.927 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 72 70.507 8.839 -3.252 1.00 0.00 H new ATOM 1016 N ASP A 73 72.327 6.828 -1.509 1.00 0.00 N ATOM 1017 CA ASP A 73 73.210 6.713 -0.354 1.00 0.00 C ATOM 1018 C ASP A 73 74.030 5.429 -0.420 1.00 0.00 C ATOM 1019 O ASP A 73 74.485 4.924 0.606 1.00 0.00 O ATOM 1020 CB ASP A 73 72.407 6.761 0.951 1.00 0.00 C ATOM 1021 CG ASP A 73 71.130 5.950 0.886 1.00 0.00 C ATOM 1022 OD1 ASP A 73 71.206 4.708 0.772 1.00 0.00 O ATOM 1023 OD2 ASP A 73 70.043 6.564 0.958 1.00 0.00 O ATOM 0 H ASP A 73 71.883 5.951 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 73 73.895 7.561 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 73 73.027 6.389 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 73 72.162 7.797 1.183 1.00 0.00 H new ATOM 1028 N ASN A 74 74.222 4.928 -1.645 1.00 0.00 N ATOM 1029 CA ASN A 74 75.084 3.767 -1.925 1.00 0.00 C ATOM 1030 C ASN A 74 74.362 2.461 -1.626 1.00 0.00 C ATOM 1031 O ASN A 74 74.992 1.437 -1.371 1.00 0.00 O ATOM 1032 CB ASN A 74 76.413 3.823 -1.146 1.00 0.00 C ATOM 1033 CG ASN A 74 77.265 5.026 -1.504 1.00 0.00 C ATOM 1034 OD1 ASN A 74 78.064 4.986 -2.437 1.00 0.00 O ATOM 1035 ND2 ASN A 74 77.108 6.104 -0.750 1.00 0.00 N ATOM 0 H ASN A 74 73.782 5.317 -2.479 1.00 0.00 H new ATOM 0 HA ASN A 74 75.319 3.807 -2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 74 76.200 3.842 -0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.980 2.913 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 74 77.661 6.941 -0.935 1.00 0.00 H new ATOM 0 HD22 ASN A 74 76.434 6.097 0.015 1.00 0.00 H new ATOM 1042 N SER A 75 73.040 2.492 -1.684 1.00 0.00 N ATOM 1043 CA SER A 75 72.242 1.290 -1.498 1.00 0.00 C ATOM 1044 C SER A 75 72.301 0.409 -2.740 1.00 0.00 C ATOM 1045 O SER A 75 72.902 -0.668 -2.742 1.00 0.00 O ATOM 1046 CB SER A 75 70.799 1.672 -1.196 1.00 0.00 C ATOM 1047 OG SER A 75 70.668 2.194 0.119 1.00 0.00 O ATOM 0 H SER A 75 72.496 3.337 -1.859 1.00 0.00 H new ATOM 0 HA SER A 75 72.648 0.727 -0.658 1.00 0.00 H new ATOM 0 HB2 SER A 75 70.458 2.413 -1.919 1.00 0.00 H new ATOM 0 HB3 SER A 75 70.158 0.798 -1.308 1.00 0.00 H new ATOM 0 HG SER A 75 71.125 3.059 0.175 1.00 0.00 H new ATOM 1053 N ASP A 76 71.656 0.879 -3.779 1.00 0.00 N ATOM 1054 CA ASP A 76 71.717 0.256 -5.089 1.00 0.00 C ATOM 1055 C ASP A 76 72.869 0.868 -5.856 1.00 0.00 C ATOM 1056 O ASP A 76 73.685 0.177 -6.447 1.00 0.00 O ATOM 1057 CB ASP A 76 70.426 0.517 -5.853 1.00 0.00 C ATOM 1058 CG ASP A 76 70.449 -0.028 -7.264 1.00 0.00 C ATOM 1059 OD1 ASP A 76 71.227 -0.962 -7.530 1.00 0.00 O ATOM 1060 OD2 ASP A 76 69.638 0.425 -8.091 1.00 0.00 O ATOM 0 H ASP A 76 71.068 1.711 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 76 71.855 -0.819 -4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.593 0.069 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.243 1.591 -5.888 1.00 0.00 H new ATOM 1065 N GLU A 77 72.955 2.185 -5.699 1.00 0.00 N ATOM 1066 CA GLU A 77 73.805 3.080 -6.485 1.00 0.00 C ATOM 1067 C GLU A 77 75.285 2.828 -6.250 1.00 0.00 C ATOM 1068 O GLU A 77 76.124 3.642 -6.639 1.00 0.00 O ATOM 1069 CB GLU A 77 73.503 4.543 -6.125 1.00 0.00 C ATOM 1070 CG GLU A 77 72.043 4.833 -5.791 1.00 0.00 C ATOM 1071 CD GLU A 77 71.620 4.271 -4.449 1.00 0.00 C ATOM 1072 OE1 GLU A 77 72.071 4.793 -3.407 1.00 0.00 O ATOM 1073 OE2 GLU A 77 70.856 3.289 -4.426 1.00 0.00 O ATOM 0 H GLU A 77 72.413 2.681 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 77 73.582 2.882 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.119 4.827 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.803 5.177 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 77 71.883 5.911 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 77 71.407 4.414 -6.571 1.00 0.00 H new ATOM 1080 N ALA A 78 75.584 1.719 -5.596 1.00 0.00 N ATOM 1081 CA ALA A 78 76.956 1.278 -5.370 1.00 0.00 C ATOM 1082 C ALA A 78 77.825 1.440 -6.626 1.00 0.00 C ATOM 1083 O ALA A 78 79.000 1.795 -6.526 1.00 0.00 O ATOM 1084 CB ALA A 78 76.963 -0.169 -4.902 1.00 0.00 C ATOM 0 H ALA A 78 74.880 1.093 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 78 77.387 1.912 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 78 77.990 -0.492 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 78 76.400 -0.253 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 78 76.503 -0.800 -5.663 1.00 0.00 H new ATOM 1090 N GLY A 79 77.253 1.172 -7.801 1.00 0.00 N ATOM 1091 CA GLY A 79 77.975 1.402 -9.041 1.00 0.00 C ATOM 1092 C GLY A 79 77.053 1.616 -10.227 1.00 0.00 C ATOM 1093 O GLY A 79 77.344 1.159 -11.334 1.00 0.00 O ATOM 0 H GLY A 79 76.309 0.802 -7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 79 78.619 2.274 -8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 79 78.625 0.550 -9.241 1.00 0.00 H new ATOM 1097 N CYS A 80 75.958 2.332 -10.005 1.00 0.00 N ATOM 1098 CA CYS A 80 74.938 2.507 -11.036 1.00 0.00 C ATOM 1099 C CYS A 80 75.395 3.464 -12.141 1.00 0.00 C ATOM 1100 O CYS A 80 75.460 3.085 -13.313 1.00 0.00 O ATOM 1101 CB CYS A 80 73.629 3.011 -10.419 1.00 0.00 C ATOM 1102 SG CYS A 80 72.189 2.893 -11.535 1.00 0.00 S ATOM 0 H CYS A 80 75.752 2.801 -9.123 1.00 0.00 H new ATOM 0 HA CYS A 80 74.771 1.530 -11.489 1.00 0.00 H new ATOM 0 HB2 CYS A 80 73.422 2.440 -9.514 1.00 0.00 H new ATOM 0 HB3 CYS A 80 73.758 4.050 -10.117 1.00 0.00 H new ATOM 1107 N SER A 81 75.702 4.710 -11.785 1.00 0.00 N ATOM 1108 CA SER A 81 76.082 5.711 -12.782 1.00 0.00 C ATOM 1109 C SER A 81 76.949 6.805 -12.166 1.00 0.00 C ATOM 1110 O SER A 81 77.084 6.881 -10.945 1.00 0.00 O ATOM 1111 CB SER A 81 74.835 6.337 -13.417 1.00 0.00 C ATOM 1112 OG SER A 81 74.062 5.357 -14.089 1.00 0.00 O ATOM 0 H SER A 81 75.696 5.049 -10.823 1.00 0.00 H new ATOM 0 HA SER A 81 76.662 5.204 -13.553 1.00 0.00 H new ATOM 0 HB2 SER A 81 74.231 6.816 -12.646 1.00 0.00 H new ATOM 0 HB3 SER A 81 75.132 7.116 -14.119 1.00 0.00 H new ATOM 0 HG SER A 81 73.271 5.779 -14.485 1.00 0.00 H new ATOM 1118 N HIS A 82 77.529 7.640 -13.025 1.00 0.00 N ATOM 1119 CA HIS A 82 78.375 8.748 -12.596 1.00 0.00 C ATOM 1120 C HIS A 82 78.247 9.904 -13.588 1.00 0.00 C ATOM 1121 O HIS A 82 77.569 10.898 -13.262 1.00 0.00 O ATOM 1122 CB HIS A 82 79.838 8.292 -12.494 1.00 0.00 C ATOM 1123 CG HIS A 82 80.791 9.375 -12.075 1.00 0.00 C ATOM 1124 ND1 HIS A 82 81.214 10.383 -12.911 1.00 0.00 N ATOM 1125 CD2 HIS A 82 81.411 9.592 -10.886 1.00 0.00 C ATOM 1126 CE1 HIS A 82 82.055 11.166 -12.225 1.00 0.00 C ATOM 1127 NE2 HIS A 82 82.211 10.731 -10.990 1.00 0.00 N ATOM 1128 OXT HIS A 82 78.814 9.797 -14.698 1.00 0.00 O ATOM 0 H HIS A 82 77.425 7.567 -14.037 1.00 0.00 H new ATOM 0 HA HIS A 82 78.051 9.085 -11.612 1.00 0.00 H new ATOM 0 HB2 HIS A 82 79.902 7.471 -11.780 1.00 0.00 H new ATOM 0 HB3 HIS A 82 80.153 7.900 -13.461 1.00 0.00 H new ATOM 0 HD1 HIS A 82 80.935 10.511 -13.884 1.00 0.00 H new ATOM 0 HD2 HIS A 82 81.302 8.981 -10.002 1.00 0.00 H new ATOM 0 HE1 HIS A 82 82.542 12.040 -12.630 1.00 0.00 H new TER 1136 HIS A 82