USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1059 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 5 THR OG1 : rot 124:sc= -2.82! USER MOD Set 1.2: A 8 GLN : amide:sc= -10! C(o=-13!,f=-15!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= -0.276 (180deg=-1.26) USER MOD Single : A 26 THR OG1 : rot -43:sc= 1.29 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= -0.0426 (180deg=-0.404) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.0035) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.155 K(o=-0.16,f=-1.5!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.75! C(o=-1.8!,f=-5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 71 MET CE :methyl -163:sc= -0.485 (180deg=-0.591) USER MOD Single : A 72 MET CE :methyl -155:sc= -1.01 (180deg=-3.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= -0.278 (180deg=-0.546) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -8.54! C(o=-20!,f=-8.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.106 USER MOD Single : A 107 HIS : no HD1:sc= -0.0796 X(o=-0.08,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 61:sc= -0.3! USER MOD Single : A 111 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.44) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.521 K(o=-0.52,f=-5.1!) USER MOD Single : A 137 ASN : amide:sc= -1.85 K(o=-1.9,f=-14!) USER MOD Single : A 138 TYR OH : rot -35:sc= 0.0167 USER MOD Single : A 143 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.6!) USER MOD Single : A 144 MET CE :methyl -158:sc= -0.309 (180deg=-1.56!) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 50.150 -16.760 14.163 1.00 20.16 N ATOM 2 CA GLN A 3 51.086 -15.672 13.906 1.00 19.97 C ATOM 3 C GLN A 3 50.969 -15.193 12.463 1.00 17.59 C ATOM 4 O GLN A 3 50.184 -15.731 11.682 1.00 19.14 O ATOM 5 CB GLN A 3 52.518 -16.140 14.175 1.00 20.20 C ATOM 6 CG GLN A 3 52.592 -16.787 15.560 1.00 23.46 C ATOM 7 CD GLN A 3 53.691 -17.843 15.584 1.00 22.58 C ATOM 8 OE1 GLN A 3 54.876 -17.509 15.545 1.00 23.20 O ATOM 9 NE2 GLN A 3 53.369 -19.106 15.645 1.00 23.18 N ATOM 0 HA GLN A 3 50.843 -14.844 14.572 1.00 19.97 H new ATOM 0 HB2 GLN A 3 52.828 -16.854 13.412 1.00 20.20 H new ATOM 0 HB3 GLN A 3 53.204 -15.295 14.119 1.00 20.20 H new ATOM 0 HG2 GLN A 3 52.790 -16.027 16.315 1.00 23.46 H new ATOM 0 HG3 GLN A 3 51.633 -17.242 15.810 1.00 23.46 H new ATOM 0 HE21 GLN A 3 52.387 -19.381 15.677 1.00 23.18 H new ATOM 0 HE22 GLN A 3 54.099 -19.818 15.660 1.00 23.18 H new ATOM 18 N LEU A 4 51.755 -14.179 12.115 1.00 13.49 N ATOM 19 CA LEU A 4 51.731 -13.636 10.762 1.00 12.54 C ATOM 20 C LEU A 4 52.537 -14.520 9.816 1.00 9.75 C ATOM 21 O LEU A 4 53.388 -15.297 10.251 1.00 11.53 O ATOM 22 CB LEU A 4 52.309 -12.220 10.757 1.00 12.03 C ATOM 23 CG LEU A 4 51.184 -11.206 10.974 1.00 14.38 C ATOM 24 CD1 LEU A 4 51.689 -10.066 11.858 1.00 12.06 C ATOM 25 CD2 LEU A 4 50.740 -10.643 9.623 1.00 13.89 C ATOM 0 H LEU A 4 52.412 -13.720 12.746 1.00 13.49 H new ATOM 0 HA LEU A 4 50.696 -13.607 10.421 1.00 12.54 H new ATOM 0 HB2 LEU A 4 53.059 -12.120 11.542 1.00 12.03 H new ATOM 0 HB3 LEU A 4 52.811 -12.024 9.809 1.00 12.03 H new ATOM 0 HG LEU A 4 50.341 -11.697 11.460 1.00 14.38 H new ATOM 0 HD11 LEU A 4 50.888 -9.343 12.013 1.00 12.06 H new ATOM 0 HD12 LEU A 4 52.008 -10.466 12.821 1.00 12.06 H new ATOM 0 HD13 LEU A 4 52.532 -9.575 11.372 1.00 12.06 H new ATOM 0 HD21 LEU A 4 49.938 -9.920 9.776 1.00 13.89 H new ATOM 0 HD22 LEU A 4 51.584 -10.152 9.138 1.00 13.89 H new ATOM 0 HD23 LEU A 4 50.381 -11.455 8.991 1.00 13.89 H new ATOM 37 N THR A 5 52.264 -14.396 8.522 1.00 7.34 N ATOM 38 CA THR A 5 52.971 -15.190 7.523 1.00 2.31 C ATOM 39 C THR A 5 53.956 -14.321 6.747 1.00 2.00 C ATOM 40 O THR A 5 53.807 -13.101 6.684 1.00 2.00 O ATOM 41 CB THR A 5 51.970 -15.820 6.552 1.00 2.00 C ATOM 42 OG1 THR A 5 51.504 -14.830 5.646 1.00 2.35 O ATOM 43 CG2 THR A 5 50.789 -16.394 7.336 1.00 2.65 C ATOM 0 H THR A 5 51.564 -13.759 8.142 1.00 7.34 H new ATOM 0 HA THR A 5 53.524 -15.977 8.037 1.00 2.31 H new ATOM 0 HB THR A 5 52.457 -16.621 5.996 1.00 2.00 H new ATOM 0 HG1 THR A 5 51.671 -15.124 4.726 1.00 2.35 H new ATOM 0 HG21 THR A 5 50.076 -16.843 6.644 1.00 2.65 H new ATOM 0 HG22 THR A 5 51.148 -17.154 8.030 1.00 2.65 H new ATOM 0 HG23 THR A 5 50.300 -15.595 7.893 1.00 2.65 H new ATOM 51 N GLU A 6 54.963 -14.958 6.158 1.00 2.00 N ATOM 52 CA GLU A 6 55.967 -14.233 5.388 1.00 2.00 C ATOM 53 C GLU A 6 55.301 -13.297 4.384 1.00 2.00 C ATOM 54 O GLU A 6 55.633 -12.114 4.308 1.00 2.00 O ATOM 55 CB GLU A 6 56.870 -15.220 4.646 1.00 2.00 C ATOM 56 CG GLU A 6 57.888 -15.814 5.621 1.00 2.39 C ATOM 57 CD GLU A 6 58.582 -17.013 4.985 1.00 7.12 C ATOM 58 OE1 GLU A 6 57.919 -18.019 4.786 1.00 4.58 O ATOM 59 OE2 GLU A 6 59.765 -16.910 4.706 1.00 2.00 O ATOM 0 H GLU A 6 55.105 -15.967 6.198 1.00 2.00 H new ATOM 0 HA GLU A 6 56.567 -13.640 6.078 1.00 2.00 H new ATOM 0 HB2 GLU A 6 56.270 -16.014 4.201 1.00 2.00 H new ATOM 0 HB3 GLU A 6 57.385 -14.714 3.829 1.00 2.00 H new ATOM 0 HG2 GLU A 6 58.626 -15.059 5.894 1.00 2.39 H new ATOM 0 HG3 GLU A 6 57.388 -16.118 6.541 1.00 2.39 H new ATOM 66 N GLU A 7 54.358 -13.835 3.617 1.00 2.00 N ATOM 67 CA GLU A 7 53.651 -13.038 2.622 1.00 2.00 C ATOM 68 C GLU A 7 53.072 -11.778 3.257 1.00 2.00 C ATOM 69 O GLU A 7 52.917 -10.752 2.595 1.00 2.00 O ATOM 70 CB GLU A 7 52.523 -13.862 1.998 1.00 2.00 C ATOM 71 CG GLU A 7 53.098 -15.151 1.408 1.00 2.00 C ATOM 72 CD GLU A 7 54.131 -14.819 0.337 1.00 6.50 C ATOM 73 OE1 GLU A 7 55.287 -14.652 0.688 1.00 4.99 O ATOM 74 OE2 GLU A 7 53.751 -14.737 -0.820 1.00 6.85 O ATOM 0 H GLU A 7 54.068 -14.812 3.665 1.00 2.00 H new ATOM 0 HA GLU A 7 54.360 -12.747 1.847 1.00 2.00 H new ATOM 0 HB2 GLU A 7 51.771 -14.098 2.751 1.00 2.00 H new ATOM 0 HB3 GLU A 7 52.024 -13.284 1.220 1.00 2.00 H new ATOM 0 HG2 GLU A 7 53.558 -15.748 2.196 1.00 2.00 H new ATOM 0 HG3 GLU A 7 52.297 -15.753 0.978 1.00 2.00 H new ATOM 81 N GLN A 8 52.754 -11.863 4.545 1.00 2.00 N ATOM 82 CA GLN A 8 52.193 -10.723 5.260 1.00 2.00 C ATOM 83 C GLN A 8 53.302 -9.886 5.890 1.00 2.00 C ATOM 84 O GLN A 8 53.371 -8.675 5.685 1.00 2.26 O ATOM 85 CB GLN A 8 51.235 -11.209 6.349 1.00 2.98 C ATOM 86 CG GLN A 8 49.880 -11.547 5.725 1.00 3.96 C ATOM 87 CD GLN A 8 50.074 -12.475 4.530 1.00 6.08 C ATOM 88 OE1 GLN A 8 50.642 -12.072 3.515 1.00 7.35 O ATOM 89 NE2 GLN A 8 49.632 -13.702 4.590 1.00 15.10 N ATOM 0 H GLN A 8 52.874 -12.703 5.111 1.00 2.00 H new ATOM 0 HA GLN A 8 51.648 -10.104 4.547 1.00 2.00 H new ATOM 0 HB2 GLN A 8 51.648 -12.087 6.845 1.00 2.98 H new ATOM 0 HB3 GLN A 8 51.114 -10.439 7.111 1.00 2.98 H new ATOM 0 HG2 GLN A 8 49.238 -12.024 6.466 1.00 3.96 H new ATOM 0 HG3 GLN A 8 49.378 -10.633 5.409 1.00 3.96 H new ATOM 0 HE21 GLN A 8 49.162 -14.034 5.432 1.00 15.10 H new ATOM 0 HE22 GLN A 8 49.757 -14.329 3.795 1.00 15.10 H new ATOM 98 N ILE A 9 54.167 -10.541 6.658 1.00 2.00 N ATOM 99 CA ILE A 9 55.269 -9.846 7.313 1.00 2.00 C ATOM 100 C ILE A 9 56.062 -9.026 6.301 1.00 3.62 C ATOM 101 O ILE A 9 56.632 -7.989 6.638 1.00 2.00 O ATOM 102 CB ILE A 9 56.196 -10.856 7.992 1.00 2.16 C ATOM 103 CG1 ILE A 9 55.401 -11.668 9.017 1.00 2.00 C ATOM 104 CG2 ILE A 9 57.329 -10.113 8.700 1.00 4.72 C ATOM 105 CD1 ILE A 9 56.307 -12.730 9.641 1.00 2.00 C ATOM 0 H ILE A 9 54.127 -11.544 6.841 1.00 2.00 H new ATOM 0 HA ILE A 9 54.854 -9.174 8.064 1.00 2.00 H new ATOM 0 HB ILE A 9 56.615 -11.527 7.241 1.00 2.16 H new ATOM 0 HG12 ILE A 9 55.007 -11.010 9.792 1.00 2.00 H new ATOM 0 HG13 ILE A 9 54.545 -12.142 8.536 1.00 2.00 H new ATOM 0 HG21 ILE A 9 57.989 -10.833 9.184 1.00 4.72 H new ATOM 0 HG22 ILE A 9 57.895 -9.534 7.971 1.00 4.72 H new ATOM 0 HG23 ILE A 9 56.911 -9.442 9.451 1.00 4.72 H new ATOM 0 HD11 ILE A 9 55.741 -13.308 10.371 1.00 2.00 H new ATOM 0 HD12 ILE A 9 56.679 -13.395 8.861 1.00 2.00 H new ATOM 0 HD13 ILE A 9 57.148 -12.245 10.136 1.00 2.00 H new ATOM 117 N ALA A 10 56.093 -9.498 5.059 1.00 5.09 N ATOM 118 CA ALA A 10 56.819 -8.800 4.005 1.00 5.63 C ATOM 119 C ALA A 10 56.083 -7.527 3.601 1.00 4.82 C ATOM 120 O ALA A 10 56.647 -6.433 3.640 1.00 4.15 O ATOM 121 CB ALA A 10 56.974 -9.711 2.786 1.00 6.68 C ATOM 0 H ALA A 10 55.627 -10.355 4.759 1.00 5.09 H new ATOM 0 HA ALA A 10 57.805 -8.531 4.385 1.00 5.63 H new ATOM 0 HB1 ALA A 10 57.517 -9.182 2.003 1.00 6.68 H new ATOM 0 HB2 ALA A 10 57.526 -10.607 3.069 1.00 6.68 H new ATOM 0 HB3 ALA A 10 55.989 -9.994 2.416 1.00 6.68 H new ATOM 127 N GLU A 11 54.822 -7.677 3.211 1.00 2.54 N ATOM 128 CA GLU A 11 54.018 -6.532 2.799 1.00 3.13 C ATOM 129 C GLU A 11 54.216 -5.363 3.759 1.00 5.12 C ATOM 130 O GLU A 11 54.416 -4.225 3.332 1.00 4.53 O ATOM 131 CB GLU A 11 52.538 -6.919 2.762 1.00 2.38 C ATOM 132 CG GLU A 11 52.281 -7.840 1.568 1.00 4.44 C ATOM 133 CD GLU A 11 52.293 -7.033 0.275 1.00 7.86 C ATOM 134 OE1 GLU A 11 51.293 -6.396 -0.013 1.00 9.34 O ATOM 135 OE2 GLU A 11 53.303 -7.063 -0.409 1.00 18.49 O ATOM 0 H GLU A 11 54.337 -8.573 3.171 1.00 2.54 H new ATOM 0 HA GLU A 11 54.339 -6.227 1.803 1.00 3.13 H new ATOM 0 HB2 GLU A 11 52.259 -7.421 3.689 1.00 2.38 H new ATOM 0 HB3 GLU A 11 51.919 -6.025 2.685 1.00 2.38 H new ATOM 0 HG2 GLU A 11 53.043 -8.618 1.528 1.00 4.44 H new ATOM 0 HG3 GLU A 11 51.320 -8.341 1.685 1.00 4.44 H new ATOM 142 N PHE A 12 54.160 -5.648 5.056 1.00 3.94 N ATOM 143 CA PHE A 12 54.335 -4.609 6.063 1.00 5.41 C ATOM 144 C PHE A 12 55.726 -3.993 5.960 1.00 3.84 C ATOM 145 O PHE A 12 55.873 -2.771 5.926 1.00 4.14 O ATOM 146 CB PHE A 12 54.137 -5.198 7.461 1.00 4.97 C ATOM 147 CG PHE A 12 52.687 -5.573 7.649 1.00 7.97 C ATOM 148 CD1 PHE A 12 51.701 -4.579 7.647 1.00 13.16 C ATOM 149 CD2 PHE A 12 52.328 -6.914 7.825 1.00 11.29 C ATOM 150 CE1 PHE A 12 50.356 -4.926 7.821 1.00 14.89 C ATOM 151 CE2 PHE A 12 50.983 -7.262 7.999 1.00 13.52 C ATOM 152 CZ PHE A 12 49.997 -6.268 7.997 1.00 12.41 C ATOM 0 H PHE A 12 53.996 -6.582 5.432 1.00 3.94 H new ATOM 0 HA PHE A 12 53.592 -3.831 5.889 1.00 5.41 H new ATOM 0 HB2 PHE A 12 54.770 -6.076 7.590 1.00 4.97 H new ATOM 0 HB3 PHE A 12 54.437 -4.474 8.218 1.00 4.97 H new ATOM 0 HD1 PHE A 12 51.978 -3.544 7.511 1.00 13.16 H new ATOM 0 HD2 PHE A 12 53.089 -7.681 7.827 1.00 11.29 H new ATOM 0 HE1 PHE A 12 49.596 -4.159 7.819 1.00 14.89 H new ATOM 0 HE2 PHE A 12 50.706 -8.297 8.135 1.00 13.52 H new ATOM 0 HZ PHE A 12 48.959 -6.536 8.131 1.00 12.41 H new ATOM 162 N LYS A 13 56.744 -4.846 5.911 1.00 4.24 N ATOM 163 CA LYS A 13 58.119 -4.373 5.811 1.00 5.23 C ATOM 164 C LYS A 13 58.236 -3.297 4.737 1.00 4.55 C ATOM 165 O LYS A 13 58.963 -2.318 4.901 1.00 2.18 O ATOM 166 CB LYS A 13 59.051 -5.538 5.473 1.00 7.96 C ATOM 167 CG LYS A 13 59.567 -6.172 6.767 1.00 10.74 C ATOM 168 CD LYS A 13 60.220 -7.519 6.450 1.00 12.48 C ATOM 169 CE LYS A 13 61.694 -7.302 6.104 1.00 16.63 C ATOM 170 NZ LYS A 13 62.385 -8.621 6.028 1.00 18.39 N ATOM 0 H LYS A 13 56.644 -5.861 5.939 1.00 4.24 H new ATOM 0 HA LYS A 13 58.408 -3.946 6.772 1.00 5.23 H new ATOM 0 HB2 LYS A 13 58.520 -6.281 4.878 1.00 7.96 H new ATOM 0 HB3 LYS A 13 59.887 -5.185 4.870 1.00 7.96 H new ATOM 0 HG2 LYS A 13 60.288 -5.510 7.246 1.00 10.74 H new ATOM 0 HG3 LYS A 13 58.745 -6.311 7.470 1.00 10.74 H new ATOM 0 HD2 LYS A 13 60.131 -8.189 7.305 1.00 12.48 H new ATOM 0 HD3 LYS A 13 59.706 -7.997 5.616 1.00 12.48 H new ATOM 0 HE2 LYS A 13 61.782 -6.778 5.152 1.00 16.63 H new ATOM 0 HE3 LYS A 13 62.167 -6.674 6.859 1.00 16.63 H new ATOM 0 HZ1 LYS A 13 63.387 -8.475 5.793 1.00 18.39 H new ATOM 0 HZ2 LYS A 13 62.312 -9.105 6.946 1.00 18.39 H new ATOM 0 HZ3 LYS A 13 61.938 -9.205 5.292 1.00 18.39 H new ATOM 184 N GLU A 14 57.512 -3.485 3.638 1.00 5.40 N ATOM 185 CA GLU A 14 57.541 -2.523 2.543 1.00 5.67 C ATOM 186 C GLU A 14 57.243 -1.119 3.058 1.00 6.21 C ATOM 187 O GLU A 14 57.854 -0.144 2.620 1.00 5.40 O ATOM 188 CB GLU A 14 56.509 -2.909 1.481 1.00 7.02 C ATOM 189 CG GLU A 14 56.989 -2.439 0.107 1.00 9.36 C ATOM 190 CD GLU A 14 56.062 -2.973 -0.980 1.00 16.81 C ATOM 191 OE1 GLU A 14 54.929 -3.291 -0.660 1.00 18.47 O ATOM 192 OE2 GLU A 14 56.500 -3.055 -2.116 1.00 22.76 O ATOM 0 H GLU A 14 56.903 -4.288 3.483 1.00 5.40 H new ATOM 0 HA GLU A 14 58.537 -2.533 2.101 1.00 5.67 H new ATOM 0 HB2 GLU A 14 56.363 -3.989 1.477 1.00 7.02 H new ATOM 0 HB3 GLU A 14 55.545 -2.458 1.715 1.00 7.02 H new ATOM 0 HG2 GLU A 14 57.012 -1.350 0.074 1.00 9.36 H new ATOM 0 HG3 GLU A 14 58.007 -2.785 -0.070 1.00 9.36 H new ATOM 199 N ALA A 15 56.301 -1.024 3.991 1.00 5.16 N ATOM 200 CA ALA A 15 55.931 0.267 4.561 1.00 5.07 C ATOM 201 C ALA A 15 57.147 0.945 5.185 1.00 5.10 C ATOM 202 O ALA A 15 57.514 2.057 4.803 1.00 5.67 O ATOM 203 CB ALA A 15 54.848 0.078 5.624 1.00 5.43 C ATOM 0 H ALA A 15 55.783 -1.819 4.366 1.00 5.16 H new ATOM 0 HA ALA A 15 55.547 0.900 3.761 1.00 5.07 H new ATOM 0 HB1 ALA A 15 54.578 1.047 6.044 1.00 5.43 H new ATOM 0 HB2 ALA A 15 53.969 -0.379 5.170 1.00 5.43 H new ATOM 0 HB3 ALA A 15 55.225 -0.569 6.416 1.00 5.43 H new ATOM 209 N PHE A 16 57.767 0.269 6.146 1.00 4.72 N ATOM 210 CA PHE A 16 58.942 0.816 6.815 1.00 6.21 C ATOM 211 C PHE A 16 60.016 1.180 5.796 1.00 7.11 C ATOM 212 O PHE A 16 60.912 1.975 6.080 1.00 4.60 O ATOM 213 CB PHE A 16 59.501 -0.206 7.807 1.00 6.80 C ATOM 214 CG PHE A 16 59.918 0.499 9.075 1.00 5.05 C ATOM 215 CD1 PHE A 16 59.047 0.544 10.170 1.00 6.58 C ATOM 216 CD2 PHE A 16 61.177 1.107 9.157 1.00 10.31 C ATOM 217 CE1 PHE A 16 59.433 1.198 11.346 1.00 4.50 C ATOM 218 CE2 PHE A 16 61.564 1.761 10.333 1.00 10.06 C ATOM 219 CZ PHE A 16 60.692 1.806 11.427 1.00 13.28 C ATOM 0 H PHE A 16 57.479 -0.652 6.477 1.00 4.72 H new ATOM 0 HA PHE A 16 58.646 1.717 7.352 1.00 6.21 H new ATOM 0 HB2 PHE A 16 58.748 -0.962 8.029 1.00 6.80 H new ATOM 0 HB3 PHE A 16 60.354 -0.725 7.369 1.00 6.80 H new ATOM 0 HD1 PHE A 16 58.077 0.074 10.107 1.00 6.58 H new ATOM 0 HD2 PHE A 16 61.850 1.071 8.313 1.00 10.31 H new ATOM 0 HE1 PHE A 16 58.760 1.234 12.190 1.00 4.50 H new ATOM 0 HE2 PHE A 16 62.535 2.230 10.396 1.00 10.06 H new ATOM 0 HZ PHE A 16 60.990 2.310 12.334 1.00 13.28 H new ATOM 229 N SER A 17 59.916 0.595 4.607 1.00 6.98 N ATOM 230 CA SER A 17 60.882 0.865 3.548 1.00 7.97 C ATOM 231 C SER A 17 60.481 2.112 2.766 1.00 7.13 C ATOM 232 O SER A 17 61.312 2.738 2.108 1.00 8.83 O ATOM 233 CB SER A 17 60.965 -0.330 2.599 1.00 10.21 C ATOM 234 OG SER A 17 62.219 -0.313 1.931 1.00 12.16 O ATOM 0 H SER A 17 59.181 -0.065 4.353 1.00 6.98 H new ATOM 0 HA SER A 17 61.857 1.033 4.005 1.00 7.97 H new ATOM 0 HB2 SER A 17 60.849 -1.260 3.156 1.00 10.21 H new ATOM 0 HB3 SER A 17 60.153 -0.290 1.873 1.00 10.21 H new ATOM 0 HG SER A 17 62.276 -1.079 1.323 1.00 12.16 H new ATOM 240 N LEU A 18 59.202 2.466 2.845 1.00 7.48 N ATOM 241 CA LEU A 18 58.699 3.640 2.141 1.00 9.00 C ATOM 242 C LEU A 18 58.794 4.878 3.028 1.00 7.93 C ATOM 243 O LEU A 18 59.080 5.975 2.549 1.00 6.26 O ATOM 244 CB LEU A 18 57.243 3.416 1.728 1.00 10.08 C ATOM 245 CG LEU A 18 57.188 3.002 0.257 1.00 14.78 C ATOM 246 CD1 LEU A 18 57.434 4.225 -0.629 1.00 17.89 C ATOM 247 CD2 LEU A 18 58.267 1.951 -0.017 1.00 15.78 C ATOM 0 H LEU A 18 58.500 1.961 3.385 1.00 7.48 H new ATOM 0 HA LEU A 18 59.309 3.797 1.251 1.00 9.00 H new ATOM 0 HB2 LEU A 18 56.792 2.644 2.351 1.00 10.08 H new ATOM 0 HB3 LEU A 18 56.666 4.328 1.882 1.00 10.08 H new ATOM 0 HG LEU A 18 56.206 2.584 0.035 1.00 14.78 H new ATOM 0 HD11 LEU A 18 57.395 3.929 -1.677 1.00 17.89 H new ATOM 0 HD12 LEU A 18 56.667 4.975 -0.435 1.00 17.89 H new ATOM 0 HD13 LEU A 18 58.416 4.644 -0.407 1.00 17.89 H new ATOM 0 HD21 LEU A 18 58.229 1.655 -1.065 1.00 15.78 H new ATOM 0 HD22 LEU A 18 59.248 2.370 0.206 1.00 15.78 H new ATOM 0 HD23 LEU A 18 58.093 1.079 0.613 1.00 15.78 H new ATOM 259 N PHE A 19 58.550 4.694 4.321 1.00 6.61 N ATOM 260 CA PHE A 19 58.610 5.805 5.265 1.00 3.44 C ATOM 261 C PHE A 19 60.045 6.047 5.721 1.00 5.51 C ATOM 262 O PHE A 19 60.535 7.176 5.685 1.00 6.11 O ATOM 263 CB PHE A 19 57.730 5.505 6.480 1.00 4.01 C ATOM 264 CG PHE A 19 56.285 5.774 6.135 1.00 2.30 C ATOM 265 CD1 PHE A 19 55.720 7.024 6.413 1.00 6.71 C ATOM 266 CD2 PHE A 19 55.510 4.773 5.537 1.00 9.14 C ATOM 267 CE1 PHE A 19 54.380 7.274 6.094 1.00 6.83 C ATOM 268 CE2 PHE A 19 54.170 5.023 5.218 1.00 7.38 C ATOM 269 CZ PHE A 19 53.605 6.273 5.496 1.00 6.43 C ATOM 0 H PHE A 19 58.311 3.794 4.737 1.00 6.61 H new ATOM 0 HA PHE A 19 58.246 6.702 4.764 1.00 3.44 H new ATOM 0 HB2 PHE A 19 57.855 4.466 6.785 1.00 4.01 H new ATOM 0 HB3 PHE A 19 58.034 6.124 7.324 1.00 4.01 H new ATOM 0 HD1 PHE A 19 56.318 7.796 6.874 1.00 6.71 H new ATOM 0 HD2 PHE A 19 55.946 3.808 5.322 1.00 9.14 H new ATOM 0 HE1 PHE A 19 53.944 8.239 6.309 1.00 6.83 H new ATOM 0 HE2 PHE A 19 53.572 4.251 4.757 1.00 7.38 H new ATOM 0 HZ PHE A 19 52.571 6.465 5.249 1.00 6.43 H new ATOM 279 N ASP A 20 60.713 4.982 6.151 1.00 4.53 N ATOM 280 CA ASP A 20 62.092 5.093 6.612 1.00 5.06 C ATOM 281 C ASP A 20 63.021 5.426 5.449 1.00 5.41 C ATOM 282 O ASP A 20 63.846 4.606 5.047 1.00 7.47 O ATOM 283 CB ASP A 20 62.534 3.780 7.261 1.00 3.50 C ATOM 284 CG ASP A 20 63.749 4.021 8.150 1.00 5.29 C ATOM 285 OD1 ASP A 20 63.976 3.218 9.040 1.00 4.70 O ATOM 286 OD2 ASP A 20 64.435 5.006 7.928 1.00 4.96 O ATOM 0 H ASP A 20 60.326 4.039 6.190 1.00 4.53 H new ATOM 0 HA ASP A 20 62.146 5.897 7.346 1.00 5.06 H new ATOM 0 HB2 ASP A 20 61.718 3.364 7.852 1.00 3.50 H new ATOM 0 HB3 ASP A 20 62.776 3.048 6.491 1.00 3.50 H new ATOM 291 N LYS A 21 62.879 6.634 4.913 1.00 8.35 N ATOM 292 CA LYS A 21 63.710 7.065 3.795 1.00 9.30 C ATOM 293 C LYS A 21 65.167 7.197 4.227 1.00 10.49 C ATOM 294 O LYS A 21 66.073 7.194 3.394 1.00 12.20 O ATOM 295 CB LYS A 21 63.210 8.409 3.263 1.00 10.83 C ATOM 296 CG LYS A 21 63.480 8.496 1.760 1.00 18.65 C ATOM 297 CD LYS A 21 62.208 8.137 0.991 1.00 23.74 C ATOM 298 CE LYS A 21 62.500 8.145 -0.511 1.00 21.90 C ATOM 299 NZ LYS A 21 63.761 7.397 -0.776 1.00 27.75 N ATOM 0 H LYS A 21 62.202 7.327 5.232 1.00 8.35 H new ATOM 0 HA LYS A 21 63.645 6.314 3.008 1.00 9.30 H new ATOM 0 HB2 LYS A 21 62.143 8.515 3.458 1.00 10.83 H new ATOM 0 HB3 LYS A 21 63.711 9.226 3.781 1.00 10.83 H new ATOM 0 HG2 LYS A 21 63.805 9.502 1.496 1.00 18.65 H new ATOM 0 HG3 LYS A 21 64.288 7.817 1.485 1.00 18.65 H new ATOM 0 HD2 LYS A 21 61.850 7.154 1.297 1.00 23.74 H new ATOM 0 HD3 LYS A 21 61.417 8.850 1.222 1.00 23.74 H new ATOM 0 HE2 LYS A 21 61.673 7.689 -1.055 1.00 21.90 H new ATOM 0 HE3 LYS A 21 62.591 9.170 -0.869 1.00 21.90 H new ATOM 0 HZ1 LYS A 21 63.752 7.035 -1.751 1.00 27.75 H new ATOM 0 HZ2 LYS A 21 64.575 8.033 -0.650 1.00 27.75 H new ATOM 0 HZ3 LYS A 21 63.838 6.600 -0.112 1.00 27.75 H new ATOM 313 N ASP A 22 65.386 7.312 5.533 1.00 10.35 N ATOM 314 CA ASP A 22 66.738 7.446 6.061 1.00 9.98 C ATOM 315 C ASP A 22 67.344 6.074 6.340 1.00 10.21 C ATOM 316 O ASP A 22 68.555 5.944 6.520 1.00 10.63 O ATOM 317 CB ASP A 22 66.717 8.267 7.351 1.00 11.16 C ATOM 318 CG ASP A 22 65.911 9.545 7.142 1.00 11.39 C ATOM 319 OD1 ASP A 22 65.620 10.206 8.125 1.00 8.03 O ATOM 320 OD2 ASP A 22 65.597 9.844 6.002 1.00 14.13 O ATOM 0 H ASP A 22 64.651 7.315 6.240 1.00 10.35 H new ATOM 0 HA ASP A 22 67.348 7.956 5.316 1.00 9.98 H new ATOM 0 HB2 ASP A 22 66.280 7.680 8.159 1.00 11.16 H new ATOM 0 HB3 ASP A 22 67.735 8.514 7.651 1.00 11.16 H new ATOM 325 N GLY A 23 66.495 5.052 6.373 1.00 8.93 N ATOM 326 CA GLY A 23 66.959 3.694 6.631 1.00 9.95 C ATOM 327 C GLY A 23 67.669 3.608 7.978 1.00 11.51 C ATOM 328 O GLY A 23 68.608 2.830 8.148 1.00 10.61 O ATOM 0 H GLY A 23 65.489 5.137 6.225 1.00 8.93 H new ATOM 0 HA2 GLY A 23 66.113 3.007 6.617 1.00 9.95 H new ATOM 0 HA3 GLY A 23 67.637 3.380 5.837 1.00 9.95 H new ATOM 332 N ASP A 24 67.214 4.412 8.934 1.00 11.42 N ATOM 333 CA ASP A 24 67.813 4.418 10.263 1.00 12.12 C ATOM 334 C ASP A 24 67.233 3.297 11.120 1.00 11.09 C ATOM 335 O ASP A 24 67.907 2.764 12.001 1.00 11.16 O ATOM 336 CB ASP A 24 67.561 5.765 10.943 1.00 12.48 C ATOM 337 CG ASP A 24 66.063 5.985 11.127 1.00 11.83 C ATOM 338 OD1 ASP A 24 65.311 5.540 10.275 1.00 10.91 O ATOM 339 OD2 ASP A 24 65.690 6.594 12.115 1.00 14.28 O ATOM 0 H ASP A 24 66.438 5.063 8.814 1.00 11.42 H new ATOM 0 HA ASP A 24 68.886 4.259 10.157 1.00 12.12 H new ATOM 0 HB2 ASP A 24 68.062 5.793 11.910 1.00 12.48 H new ATOM 0 HB3 ASP A 24 67.984 6.570 10.342 1.00 12.48 H new ATOM 344 N GLY A 25 65.979 2.946 10.855 1.00 9.38 N ATOM 345 CA GLY A 25 65.317 1.887 11.608 1.00 9.47 C ATOM 346 C GLY A 25 64.310 2.468 12.595 1.00 7.97 C ATOM 347 O GLY A 25 63.738 1.745 13.411 1.00 6.95 O ATOM 0 H GLY A 25 65.404 3.376 10.130 1.00 9.38 H new ATOM 0 HA2 GLY A 25 64.810 1.210 10.921 1.00 9.47 H new ATOM 0 HA3 GLY A 25 66.060 1.298 12.145 1.00 9.47 H new ATOM 351 N THR A 26 64.099 3.777 12.514 1.00 7.17 N ATOM 352 CA THR A 26 63.157 4.445 13.405 1.00 8.21 C ATOM 353 C THR A 26 62.514 5.639 12.707 1.00 8.10 C ATOM 354 O THR A 26 63.190 6.410 12.026 1.00 7.63 O ATOM 355 CB THR A 26 63.880 4.918 14.669 1.00 11.49 C ATOM 356 OG1 THR A 26 64.463 6.191 14.430 1.00 16.41 O ATOM 357 CG2 THR A 26 64.972 3.914 15.040 1.00 11.35 C ATOM 0 H THR A 26 64.563 4.393 11.846 1.00 7.17 H new ATOM 0 HA THR A 26 62.376 3.735 13.677 1.00 8.21 H new ATOM 0 HB THR A 26 63.167 4.994 15.490 1.00 11.49 H new ATOM 0 HG1 THR A 26 64.880 6.199 13.543 1.00 16.41 H new ATOM 0 HG21 THR A 26 65.486 4.252 15.940 1.00 11.35 H new ATOM 0 HG22 THR A 26 64.522 2.938 15.224 1.00 11.35 H new ATOM 0 HG23 THR A 26 65.687 3.835 14.221 1.00 11.35 H new ATOM 365 N ILE A 27 61.205 5.787 12.883 1.00 6.76 N ATOM 366 CA ILE A 27 60.481 6.892 12.265 1.00 3.01 C ATOM 367 C ILE A 27 60.033 7.896 13.323 1.00 4.61 C ATOM 368 O ILE A 27 59.442 7.524 14.336 1.00 4.59 O ATOM 369 CB ILE A 27 59.260 6.361 11.513 1.00 4.15 C ATOM 370 CG1 ILE A 27 59.723 5.521 10.320 1.00 8.03 C ATOM 371 CG2 ILE A 27 58.419 7.536 11.012 1.00 6.87 C ATOM 372 CD1 ILE A 27 58.925 4.217 10.274 1.00 5.23 C ATOM 0 H ILE A 27 60.627 5.161 13.444 1.00 6.76 H new ATOM 0 HA ILE A 27 61.149 7.393 11.564 1.00 3.01 H new ATOM 0 HB ILE A 27 58.660 5.744 12.182 1.00 4.15 H new ATOM 0 HG12 ILE A 27 59.584 6.078 9.393 1.00 8.03 H new ATOM 0 HG13 ILE A 27 60.788 5.305 10.405 1.00 8.03 H new ATOM 0 HG21 ILE A 27 57.549 7.158 10.476 1.00 6.87 H new ATOM 0 HG22 ILE A 27 58.090 8.136 11.861 1.00 6.87 H new ATOM 0 HG23 ILE A 27 59.018 8.153 10.342 1.00 6.87 H new ATOM 0 HD11 ILE A 27 59.254 3.619 9.425 1.00 5.23 H new ATOM 0 HD12 ILE A 27 59.087 3.659 11.196 1.00 5.23 H new ATOM 0 HD13 ILE A 27 57.864 4.443 10.169 1.00 5.23 H new ATOM 384 N THR A 28 60.320 9.171 13.079 1.00 5.54 N ATOM 385 CA THR A 28 59.942 10.221 14.018 1.00 5.59 C ATOM 386 C THR A 28 58.818 11.076 13.442 1.00 4.18 C ATOM 387 O THR A 28 58.411 10.892 12.294 1.00 3.04 O ATOM 388 CB THR A 28 61.152 11.107 14.326 1.00 7.09 C ATOM 389 OG1 THR A 28 61.386 11.982 13.232 1.00 7.62 O ATOM 390 CG2 THR A 28 62.384 10.230 14.553 1.00 7.80 C ATOM 0 H THR A 28 60.809 9.500 12.246 1.00 5.54 H new ATOM 0 HA THR A 28 59.592 9.751 14.937 1.00 5.59 H new ATOM 0 HB THR A 28 60.955 11.692 15.224 1.00 7.09 H new ATOM 0 HG1 THR A 28 62.159 12.551 13.428 1.00 7.62 H new ATOM 0 HG21 THR A 28 63.245 10.862 14.772 1.00 7.80 H new ATOM 0 HG22 THR A 28 62.203 9.559 15.393 1.00 7.80 H new ATOM 0 HG23 THR A 28 62.583 9.643 13.656 1.00 7.80 H new ATOM 398 N THR A 29 58.319 12.009 14.246 1.00 6.48 N ATOM 399 CA THR A 29 57.241 12.887 13.805 1.00 6.08 C ATOM 400 C THR A 29 57.745 13.869 12.752 1.00 6.97 C ATOM 401 O THR A 29 56.960 14.439 11.995 1.00 10.04 O ATOM 402 CB THR A 29 56.676 13.661 14.998 1.00 8.08 C ATOM 403 OG1 THR A 29 56.926 12.933 16.193 1.00 8.72 O ATOM 404 CG2 THR A 29 55.170 13.851 14.819 1.00 6.60 C ATOM 0 H THR A 29 58.641 12.176 15.199 1.00 6.48 H new ATOM 0 HA THR A 29 56.455 12.273 13.365 1.00 6.08 H new ATOM 0 HB THR A 29 57.157 14.637 15.059 1.00 8.08 H new ATOM 0 HG1 THR A 29 56.566 13.428 16.959 1.00 8.72 H new ATOM 0 HG21 THR A 29 54.769 14.402 15.670 1.00 6.60 H new ATOM 0 HG22 THR A 29 54.980 14.410 13.902 1.00 6.60 H new ATOM 0 HG23 THR A 29 54.685 12.877 14.757 1.00 6.60 H new ATOM 412 N LYS A 30 59.060 14.062 12.711 1.00 6.44 N ATOM 413 CA LYS A 30 59.657 14.978 11.747 1.00 5.32 C ATOM 414 C LYS A 30 59.690 14.349 10.358 1.00 5.11 C ATOM 415 O LYS A 30 59.460 15.025 9.354 1.00 2.00 O ATOM 416 CB LYS A 30 61.080 15.337 12.180 1.00 6.94 C ATOM 417 CG LYS A 30 61.582 16.524 11.355 1.00 11.76 C ATOM 418 CD LYS A 30 62.606 17.316 12.169 1.00 16.32 C ATOM 419 CE LYS A 30 61.934 18.548 12.777 1.00 16.38 C ATOM 420 NZ LYS A 30 61.619 19.526 11.697 1.00 12.63 N ATOM 0 H LYS A 30 59.727 13.600 13.329 1.00 6.44 H new ATOM 0 HA LYS A 30 59.049 15.882 11.709 1.00 5.32 H new ATOM 0 HB2 LYS A 30 61.097 15.585 13.241 1.00 6.94 H new ATOM 0 HB3 LYS A 30 61.740 14.480 12.043 1.00 6.94 H new ATOM 0 HG2 LYS A 30 62.034 16.171 10.428 1.00 11.76 H new ATOM 0 HG3 LYS A 30 60.747 17.167 11.078 1.00 11.76 H new ATOM 0 HD2 LYS A 30 63.022 16.689 12.958 1.00 16.32 H new ATOM 0 HD3 LYS A 30 63.437 17.619 11.532 1.00 16.32 H new ATOM 0 HE2 LYS A 30 61.021 18.258 13.297 1.00 16.38 H new ATOM 0 HE3 LYS A 30 62.591 19.006 13.517 1.00 16.38 H new ATOM 0 HZ1 LYS A 30 61.636 20.490 12.086 1.00 12.63 H new ATOM 0 HZ2 LYS A 30 62.327 19.446 10.939 1.00 12.63 H new ATOM 0 HZ3 LYS A 30 60.674 19.325 11.311 1.00 12.63 H new ATOM 434 N GLU A 31 59.975 13.052 10.307 1.00 2.00 N ATOM 435 CA GLU A 31 60.035 12.343 9.034 1.00 2.98 C ATOM 436 C GLU A 31 58.631 11.990 8.553 1.00 4.00 C ATOM 437 O GLU A 31 58.371 11.936 7.351 1.00 4.67 O ATOM 438 CB GLU A 31 60.861 11.065 9.186 1.00 2.67 C ATOM 439 CG GLU A 31 62.335 11.429 9.378 1.00 3.70 C ATOM 440 CD GLU A 31 63.222 10.288 8.891 1.00 3.21 C ATOM 441 OE1 GLU A 31 64.055 9.842 9.662 1.00 5.59 O ATOM 442 OE2 GLU A 31 63.054 9.878 7.754 1.00 4.09 O ATOM 0 H GLU A 31 60.167 12.474 11.125 1.00 2.00 H new ATOM 0 HA GLU A 31 60.507 12.994 8.298 1.00 2.98 H new ATOM 0 HB2 GLU A 31 60.504 10.488 10.039 1.00 2.67 H new ATOM 0 HB3 GLU A 31 60.743 10.436 8.304 1.00 2.67 H new ATOM 0 HG2 GLU A 31 62.567 12.341 8.828 1.00 3.70 H new ATOM 0 HG3 GLU A 31 62.534 11.631 10.430 1.00 3.70 H new ATOM 449 N LEU A 32 57.731 11.749 9.500 1.00 5.61 N ATOM 450 CA LEU A 32 56.356 11.401 9.163 1.00 5.49 C ATOM 451 C LEU A 32 55.669 12.562 8.451 1.00 6.12 C ATOM 452 O LEU A 32 55.206 12.422 7.319 1.00 5.57 O ATOM 453 CB LEU A 32 55.580 11.048 10.433 1.00 5.85 C ATOM 454 CG LEU A 32 54.202 10.504 10.056 1.00 7.72 C ATOM 455 CD1 LEU A 32 54.248 8.976 10.019 1.00 6.45 C ATOM 456 CD2 LEU A 32 53.175 10.957 11.096 1.00 7.63 C ATOM 0 H LEU A 32 57.927 11.788 10.500 1.00 5.61 H new ATOM 0 HA LEU A 32 56.372 10.539 8.496 1.00 5.49 H new ATOM 0 HB2 LEU A 32 56.129 10.306 11.013 1.00 5.85 H new ATOM 0 HB3 LEU A 32 55.474 11.931 11.064 1.00 5.85 H new ATOM 0 HG LEU A 32 53.919 10.882 9.074 1.00 7.72 H new ATOM 0 HD11 LEU A 32 53.265 8.589 9.750 1.00 6.45 H new ATOM 0 HD12 LEU A 32 54.980 8.652 9.280 1.00 6.45 H new ATOM 0 HD13 LEU A 32 54.531 8.597 11.001 1.00 6.45 H new ATOM 0 HD21 LEU A 32 52.192 10.570 10.829 1.00 7.63 H new ATOM 0 HD22 LEU A 32 53.460 10.578 12.078 1.00 7.63 H new ATOM 0 HD23 LEU A 32 53.141 12.046 11.123 1.00 7.63 H new ATOM 468 N GLY A 33 55.607 13.708 9.121 1.00 6.93 N ATOM 469 CA GLY A 33 54.975 14.887 8.541 1.00 4.91 C ATOM 470 C GLY A 33 55.396 15.070 7.088 1.00 6.07 C ATOM 471 O GLY A 33 54.562 15.311 6.215 1.00 6.12 O ATOM 0 H GLY A 33 55.984 13.845 10.059 1.00 6.93 H new ATOM 0 HA2 GLY A 33 53.891 14.790 8.600 1.00 4.91 H new ATOM 0 HA3 GLY A 33 55.248 15.771 9.117 1.00 4.91 H new ATOM 475 N THR A 34 56.695 14.953 6.834 1.00 6.25 N ATOM 476 CA THR A 34 57.216 15.107 5.481 1.00 6.89 C ATOM 477 C THR A 34 56.428 14.241 4.503 1.00 5.87 C ATOM 478 O THR A 34 56.126 14.665 3.388 1.00 4.67 O ATOM 479 CB THR A 34 58.694 14.710 5.441 1.00 7.13 C ATOM 480 OG1 THR A 34 59.357 15.248 6.577 1.00 8.73 O ATOM 481 CG2 THR A 34 59.337 15.256 4.166 1.00 9.63 C ATOM 0 H THR A 34 57.402 14.753 7.542 1.00 6.25 H new ATOM 0 HA THR A 34 57.113 16.152 5.189 1.00 6.89 H new ATOM 0 HB THR A 34 58.780 13.623 5.450 1.00 7.13 H new ATOM 0 HG1 THR A 34 60.303 14.994 6.554 1.00 8.73 H new ATOM 0 HG21 THR A 34 60.389 14.973 4.139 1.00 9.63 H new ATOM 0 HG22 THR A 34 58.827 14.843 3.296 1.00 9.63 H new ATOM 0 HG23 THR A 34 59.254 16.343 4.153 1.00 9.63 H new ATOM 489 N VAL A 35 56.099 13.026 4.929 1.00 4.87 N ATOM 490 CA VAL A 35 55.345 12.109 4.082 1.00 5.50 C ATOM 491 C VAL A 35 53.990 12.708 3.719 1.00 6.36 C ATOM 492 O VAL A 35 53.618 12.761 2.547 1.00 6.78 O ATOM 493 CB VAL A 35 55.139 10.778 4.806 1.00 7.07 C ATOM 494 CG1 VAL A 35 54.260 9.862 3.952 1.00 6.42 C ATOM 495 CG2 VAL A 35 56.496 10.110 5.038 1.00 4.61 C ATOM 0 H VAL A 35 56.340 12.656 5.848 1.00 4.87 H new ATOM 0 HA VAL A 35 55.912 11.940 3.167 1.00 5.50 H new ATOM 0 HB VAL A 35 54.652 10.957 5.765 1.00 7.07 H new ATOM 0 HG11 VAL A 35 54.113 8.913 4.468 1.00 6.42 H new ATOM 0 HG12 VAL A 35 53.293 10.337 3.785 1.00 6.42 H new ATOM 0 HG13 VAL A 35 54.746 9.682 2.993 1.00 6.42 H new ATOM 0 HG21 VAL A 35 56.351 9.161 5.554 1.00 4.61 H new ATOM 0 HG22 VAL A 35 56.982 9.931 4.079 1.00 4.61 H new ATOM 0 HG23 VAL A 35 57.123 10.762 5.646 1.00 4.61 H new ATOM 505 N MET A 36 53.257 13.158 4.732 0.50 5.82 N ATOM 506 CA MET A 36 51.944 13.752 4.507 0.50 6.35 C ATOM 507 C MET A 36 52.053 14.948 3.567 0.50 5.77 C ATOM 508 O MET A 36 51.096 15.297 2.876 0.50 6.52 O ATOM 509 CB MET A 36 51.338 14.200 5.838 0.50 6.47 C ATOM 510 CG MET A 36 51.262 13.006 6.792 0.50 7.91 C ATOM 511 SD MET A 36 49.630 12.233 6.662 0.50 9.11 S ATOM 512 CE MET A 36 49.838 11.039 8.005 0.50 10.12 C ATOM 0 H MET A 36 53.547 13.123 5.709 0.50 5.82 H new ATOM 0 HA MET A 36 51.299 13.001 4.050 0.50 6.35 H new ATOM 0 HB2 MET A 36 51.944 14.992 6.277 0.50 6.47 H new ATOM 0 HB3 MET A 36 50.343 14.613 5.676 0.50 6.47 H new ATOM 0 HG2 MET A 36 52.040 12.282 6.548 0.50 7.91 H new ATOM 0 HG3 MET A 36 51.441 13.333 7.816 0.50 7.91 H new ATOM 0 HE1 MET A 36 48.931 10.442 8.105 0.50 10.12 H new ATOM 0 HE2 MET A 36 50.681 10.385 7.783 0.50 10.12 H new ATOM 0 HE3 MET A 36 50.027 11.570 8.938 0.50 10.12 H new ATOM 522 N ARG A 37 53.226 15.573 3.547 1.00 5.54 N ATOM 523 CA ARG A 37 53.450 16.730 2.688 1.00 5.23 C ATOM 524 C ARG A 37 53.477 16.310 1.221 1.00 5.57 C ATOM 525 O ARG A 37 53.240 17.124 0.328 1.00 5.64 O ATOM 526 CB ARG A 37 54.774 17.404 3.052 1.00 5.44 C ATOM 527 CG ARG A 37 54.496 18.680 3.850 1.00 9.87 C ATOM 528 CD ARG A 37 55.820 19.360 4.203 1.00 7.40 C ATOM 529 NE ARG A 37 55.642 20.248 5.347 1.00 5.71 N ATOM 530 CZ ARG A 37 56.371 21.351 5.480 1.00 5.49 C ATOM 531 NH1 ARG A 37 56.193 22.129 6.512 1.00 4.77 N ATOM 532 NH2 ARG A 37 57.265 21.655 4.579 1.00 5.93 N ATOM 0 H ARG A 37 54.031 15.300 4.111 1.00 5.54 H new ATOM 0 HA ARG A 37 52.632 17.434 2.839 1.00 5.23 H new ATOM 0 HB2 ARG A 37 55.391 16.723 3.638 1.00 5.44 H new ATOM 0 HB3 ARG A 37 55.333 17.643 2.147 1.00 5.44 H new ATOM 0 HG2 ARG A 37 53.871 19.357 3.267 1.00 9.87 H new ATOM 0 HG3 ARG A 37 53.944 18.440 4.759 1.00 9.87 H new ATOM 0 HD2 ARG A 37 56.574 18.607 4.432 1.00 7.40 H new ATOM 0 HD3 ARG A 37 56.185 19.927 3.347 1.00 7.40 H new ATOM 0 HE ARG A 37 54.946 20.018 6.057 1.00 5.71 H new ATOM 0 HH11 ARG A 37 55.495 21.890 7.216 1.00 4.77 H new ATOM 0 HH12 ARG A 37 56.752 22.976 6.615 1.00 4.77 H new ATOM 0 HH21 ARG A 37 57.404 21.046 3.773 1.00 5.93 H new ATOM 0 HH22 ARG A 37 57.825 22.502 4.681 1.00 5.93 H new ATOM 546 N SER A 38 53.766 15.036 0.982 1.00 5.82 N ATOM 547 CA SER A 38 53.821 14.518 -0.381 1.00 6.44 C ATOM 548 C SER A 38 52.416 14.231 -0.900 1.00 7.83 C ATOM 549 O SER A 38 52.166 14.281 -2.105 1.00 7.95 O ATOM 550 CB SER A 38 54.653 13.236 -0.420 1.00 5.05 C ATOM 551 OG SER A 38 55.272 13.117 -1.694 1.00 8.15 O ATOM 0 H SER A 38 53.965 14.347 1.707 1.00 5.82 H new ATOM 0 HA SER A 38 54.286 15.271 -1.018 1.00 6.44 H new ATOM 0 HB2 SER A 38 55.410 13.256 0.364 1.00 5.05 H new ATOM 0 HB3 SER A 38 54.018 12.371 -0.229 1.00 5.05 H new ATOM 0 HG SER A 38 55.808 12.297 -1.722 1.00 8.15 H new ATOM 557 N LEU A 39 51.502 13.931 0.017 1.00 7.89 N ATOM 558 CA LEU A 39 50.124 13.638 -0.359 1.00 8.71 C ATOM 559 C LEU A 39 49.275 14.904 -0.311 1.00 8.85 C ATOM 560 O LEU A 39 48.046 14.841 -0.321 1.00 8.85 O ATOM 561 CB LEU A 39 49.535 12.590 0.588 1.00 9.15 C ATOM 562 CG LEU A 39 50.500 11.410 0.707 1.00 8.10 C ATOM 563 CD1 LEU A 39 50.166 10.601 1.961 1.00 10.10 C ATOM 564 CD2 LEU A 39 50.363 10.515 -0.527 1.00 12.78 C ATOM 0 H LEU A 39 51.689 13.885 1.019 1.00 7.89 H new ATOM 0 HA LEU A 39 50.120 13.250 -1.377 1.00 8.71 H new ATOM 0 HB2 LEU A 39 49.359 13.030 1.570 1.00 9.15 H new ATOM 0 HB3 LEU A 39 48.570 12.248 0.214 1.00 9.15 H new ATOM 0 HG LEU A 39 51.522 11.782 0.777 1.00 8.10 H new ATOM 0 HD11 LEU A 39 50.854 9.760 2.045 1.00 10.10 H new ATOM 0 HD12 LEU A 39 50.261 11.237 2.841 1.00 10.10 H new ATOM 0 HD13 LEU A 39 49.144 10.228 1.892 1.00 10.10 H new ATOM 0 HD21 LEU A 39 51.050 9.673 -0.444 1.00 12.78 H new ATOM 0 HD22 LEU A 39 49.341 10.143 -0.595 1.00 12.78 H new ATOM 0 HD23 LEU A 39 50.600 11.090 -1.422 1.00 12.78 H new ATOM 576 N GLY A 40 49.940 16.054 -0.259 1.00 9.60 N ATOM 577 CA GLY A 40 49.237 17.331 -0.209 1.00 8.71 C ATOM 578 C GLY A 40 48.384 17.434 1.050 1.00 8.84 C ATOM 579 O GLY A 40 47.384 18.152 1.076 1.00 8.80 O ATOM 0 H GLY A 40 50.957 16.128 -0.250 1.00 9.60 H new ATOM 0 HA2 GLY A 40 49.958 18.148 -0.233 1.00 8.71 H new ATOM 0 HA3 GLY A 40 48.605 17.438 -1.091 1.00 8.71 H new ATOM 583 N GLN A 41 48.785 16.713 2.091 1.00 9.43 N ATOM 584 CA GLN A 41 48.048 16.732 3.350 1.00 9.39 C ATOM 585 C GLN A 41 48.654 17.748 4.312 1.00 9.13 C ATOM 586 O GLN A 41 49.852 18.029 4.260 1.00 9.37 O ATOM 587 CB GLN A 41 48.073 15.343 3.990 1.00 9.54 C ATOM 588 CG GLN A 41 46.831 14.559 3.559 1.00 14.07 C ATOM 589 CD GLN A 41 46.762 13.236 4.313 1.00 18.80 C ATOM 590 OE1 GLN A 41 45.832 13.008 5.086 1.00 20.35 O ATOM 591 NE2 GLN A 41 47.698 12.344 4.134 1.00 17.18 N ATOM 0 H GLN A 41 49.609 16.112 2.089 1.00 9.43 H new ATOM 0 HA GLN A 41 47.017 17.018 3.141 1.00 9.39 H new ATOM 0 HB2 GLN A 41 48.975 14.809 3.690 1.00 9.54 H new ATOM 0 HB3 GLN A 41 48.101 15.432 5.076 1.00 9.54 H new ATOM 0 HG2 GLN A 41 45.934 15.146 3.755 1.00 14.07 H new ATOM 0 HG3 GLN A 41 46.862 14.374 2.485 1.00 14.07 H new ATOM 0 HE21 GLN A 41 48.468 12.534 3.493 1.00 17.18 H new ATOM 0 HE22 GLN A 41 47.659 11.456 4.635 1.00 17.18 H new ATOM 600 N ASN A 42 47.819 18.296 5.188 0.50 9.56 N ATOM 601 CA ASN A 42 48.283 19.281 6.159 0.50 9.39 C ATOM 602 C ASN A 42 47.727 18.969 7.545 0.50 9.08 C ATOM 603 O ASN A 42 46.750 19.577 7.984 0.50 10.22 O ATOM 604 CB ASN A 42 47.840 20.682 5.733 0.50 9.34 C ATOM 605 CG ASN A 42 48.648 21.139 4.523 0.50 8.10 C ATOM 606 OD1 ASN A 42 48.365 20.733 3.396 0.50 6.34 O ATOM 607 ND2 ASN A 42 49.643 21.967 4.690 0.50 6.21 N ATOM 0 H ASN A 42 46.824 18.077 5.246 0.50 9.56 H new ATOM 0 HA ASN A 42 49.372 19.241 6.199 0.50 9.39 H new ATOM 0 HB2 ASN A 42 46.777 20.678 5.491 0.50 9.34 H new ATOM 0 HB3 ASN A 42 47.977 21.382 6.557 0.50 9.34 H new ATOM 0 HD21 ASN A 42 50.188 22.279 3.886 0.50 6.21 H new ATOM 0 HD22 ASN A 42 49.876 22.302 5.625 0.50 6.21 H new ATOM 614 N PRO A 43 48.330 18.037 8.232 1.00 8.50 N ATOM 615 CA PRO A 43 47.893 17.631 9.596 1.00 6.21 C ATOM 616 C PRO A 43 48.348 18.620 10.667 1.00 4.45 C ATOM 617 O PRO A 43 49.365 19.295 10.510 1.00 7.13 O ATOM 618 CB PRO A 43 48.557 16.269 9.792 1.00 6.33 C ATOM 619 CG PRO A 43 49.779 16.294 8.931 1.00 8.63 C ATOM 620 CD PRO A 43 49.499 17.267 7.781 1.00 8.24 C ATOM 0 HA PRO A 43 46.807 17.600 9.688 1.00 6.21 H new ATOM 0 HB2 PRO A 43 48.817 16.106 10.838 1.00 6.33 H new ATOM 0 HB3 PRO A 43 47.887 15.460 9.500 1.00 6.33 H new ATOM 0 HG2 PRO A 43 50.648 16.616 9.505 1.00 8.63 H new ATOM 0 HG3 PRO A 43 50.001 15.298 8.548 1.00 8.63 H new ATOM 0 HD2 PRO A 43 50.354 17.916 7.592 1.00 8.24 H new ATOM 0 HD3 PRO A 43 49.291 16.736 6.852 1.00 8.24 H new ATOM 628 N THR A 44 47.587 18.699 11.753 1.00 4.83 N ATOM 629 CA THR A 44 47.921 19.608 12.844 1.00 3.51 C ATOM 630 C THR A 44 48.860 18.932 13.837 1.00 2.59 C ATOM 631 O THR A 44 49.009 17.710 13.832 1.00 2.00 O ATOM 632 CB THR A 44 46.645 20.051 13.564 1.00 3.90 C ATOM 633 OG1 THR A 44 45.568 20.083 12.638 1.00 3.35 O ATOM 634 CG2 THR A 44 46.850 21.444 14.160 1.00 3.21 C ATOM 0 H THR A 44 46.741 18.149 11.901 1.00 4.83 H new ATOM 0 HA THR A 44 48.422 20.480 12.424 1.00 3.51 H new ATOM 0 HB THR A 44 46.416 19.347 14.364 1.00 3.90 H new ATOM 0 HG1 THR A 44 44.750 20.365 13.098 1.00 3.35 H new ATOM 0 HG21 THR A 44 45.941 21.758 14.672 1.00 3.21 H new ATOM 0 HG22 THR A 44 47.676 21.418 14.871 1.00 3.21 H new ATOM 0 HG23 THR A 44 47.080 22.151 13.363 1.00 3.21 H new ATOM 642 N GLU A 45 49.491 19.734 14.688 1.00 2.00 N ATOM 643 CA GLU A 45 50.413 19.201 15.684 1.00 3.60 C ATOM 644 C GLU A 45 49.737 18.115 16.514 1.00 4.17 C ATOM 645 O GLU A 45 50.264 17.013 16.661 1.00 5.52 O ATOM 646 CB GLU A 45 50.895 20.324 16.604 1.00 4.15 C ATOM 647 CG GLU A 45 52.082 21.041 15.957 1.00 7.46 C ATOM 648 CD GLU A 45 52.187 22.464 16.495 1.00 7.32 C ATOM 649 OE1 GLU A 45 53.300 22.911 16.718 1.00 16.78 O ATOM 650 OE2 GLU A 45 51.153 23.087 16.675 1.00 13.96 O ATOM 0 H GLU A 45 49.382 20.748 14.709 1.00 2.00 H new ATOM 0 HA GLU A 45 51.267 18.766 15.165 1.00 3.60 H new ATOM 0 HB2 GLU A 45 50.086 21.031 16.787 1.00 4.15 H new ATOM 0 HB3 GLU A 45 51.187 19.916 17.572 1.00 4.15 H new ATOM 0 HG2 GLU A 45 53.003 20.496 16.164 1.00 7.46 H new ATOM 0 HG3 GLU A 45 51.959 21.061 14.874 1.00 7.46 H new ATOM 657 N ALA A 46 48.566 18.435 17.055 1.00 4.80 N ATOM 658 CA ALA A 46 47.825 17.478 17.870 1.00 3.98 C ATOM 659 C ALA A 46 47.647 16.162 17.120 1.00 2.82 C ATOM 660 O ALA A 46 47.687 15.086 17.717 1.00 4.64 O ATOM 661 CB ALA A 46 46.454 18.052 18.232 1.00 3.36 C ATOM 0 H ALA A 46 48.112 19.342 16.945 1.00 4.80 H new ATOM 0 HA ALA A 46 48.391 17.289 18.782 1.00 3.98 H new ATOM 0 HB1 ALA A 46 45.907 17.332 18.840 1.00 3.36 H new ATOM 0 HB2 ALA A 46 46.584 18.977 18.794 1.00 3.36 H new ATOM 0 HB3 ALA A 46 45.893 18.257 17.320 1.00 3.36 H new ATOM 667 N GLU A 47 47.450 16.255 15.809 0.50 3.25 N ATOM 668 CA GLU A 47 47.266 15.064 14.987 0.50 4.03 C ATOM 669 C GLU A 47 48.594 14.339 14.791 0.50 2.00 C ATOM 670 O GLU A 47 48.718 13.155 15.104 0.50 2.21 O ATOM 671 CB GLU A 47 46.688 15.454 13.625 0.50 3.18 C ATOM 672 CG GLU A 47 45.610 14.446 13.221 0.50 2.62 C ATOM 673 CD GLU A 47 44.335 14.700 14.018 0.50 5.31 C ATOM 674 OE1 GLU A 47 44.308 15.665 14.764 0.50 6.18 O ATOM 675 OE2 GLU A 47 43.404 13.925 13.871 0.50 2.00 O ATOM 0 H GLU A 47 47.414 17.136 15.296 0.50 3.25 H new ATOM 0 HA GLU A 47 46.572 14.396 15.497 0.50 4.03 H new ATOM 0 HB2 GLU A 47 46.264 16.457 13.672 0.50 3.18 H new ATOM 0 HB3 GLU A 47 47.479 15.477 12.875 0.50 3.18 H new ATOM 0 HG2 GLU A 47 45.404 14.529 12.154 0.50 2.62 H new ATOM 0 HG3 GLU A 47 45.964 13.431 13.399 0.50 2.62 H new ATOM 682 N LEU A 48 49.583 15.058 14.271 1.00 2.12 N ATOM 683 CA LEU A 48 50.898 14.472 14.037 1.00 2.61 C ATOM 684 C LEU A 48 51.395 13.755 15.288 1.00 3.92 C ATOM 685 O LEU A 48 52.031 12.705 15.202 1.00 2.59 O ATOM 686 CB LEU A 48 51.894 15.565 13.644 1.00 5.42 C ATOM 687 CG LEU A 48 51.756 15.868 12.151 1.00 4.58 C ATOM 688 CD1 LEU A 48 52.690 17.020 11.775 1.00 6.65 C ATOM 689 CD2 LEU A 48 52.133 14.624 11.342 1.00 5.37 C ATOM 0 H LEU A 48 49.501 16.039 14.005 1.00 2.12 H new ATOM 0 HA LEU A 48 50.814 13.748 13.226 1.00 2.61 H new ATOM 0 HB2 LEU A 48 51.709 16.467 14.228 1.00 5.42 H new ATOM 0 HB3 LEU A 48 52.911 15.243 13.868 1.00 5.42 H new ATOM 0 HG LEU A 48 50.726 16.148 11.931 1.00 4.58 H new ATOM 0 HD11 LEU A 48 52.592 17.236 10.711 1.00 6.65 H new ATOM 0 HD12 LEU A 48 52.425 17.906 12.351 1.00 6.65 H new ATOM 0 HD13 LEU A 48 53.720 16.740 11.995 1.00 6.65 H new ATOM 0 HD21 LEU A 48 52.035 14.839 10.278 1.00 5.37 H new ATOM 0 HD22 LEU A 48 53.163 14.345 11.563 1.00 5.37 H new ATOM 0 HD23 LEU A 48 51.469 13.802 11.609 1.00 5.37 H new ATOM 701 N GLN A 49 51.100 14.329 16.450 1.00 4.04 N ATOM 702 CA GLN A 49 51.522 13.736 17.713 1.00 6.32 C ATOM 703 C GLN A 49 50.639 12.543 18.065 1.00 4.43 C ATOM 704 O GLN A 49 51.136 11.458 18.367 1.00 6.21 O ATOM 705 CB GLN A 49 51.445 14.777 18.831 1.00 5.48 C ATOM 706 CG GLN A 49 52.463 15.888 18.565 1.00 4.72 C ATOM 707 CD GLN A 49 52.046 17.162 19.293 1.00 3.92 C ATOM 708 OE1 GLN A 49 51.156 17.130 20.142 1.00 7.05 O ATOM 709 NE2 GLN A 49 52.640 18.289 19.008 1.00 2.12 N ATOM 0 H GLN A 49 50.574 15.198 16.543 1.00 4.04 H new ATOM 0 HA GLN A 49 52.551 13.394 17.606 1.00 6.32 H new ATOM 0 HB2 GLN A 49 50.440 15.195 18.884 1.00 5.48 H new ATOM 0 HB3 GLN A 49 51.646 14.308 19.794 1.00 5.48 H new ATOM 0 HG2 GLN A 49 53.452 15.575 18.900 1.00 4.72 H new ATOM 0 HG3 GLN A 49 52.535 16.078 17.494 1.00 4.72 H new ATOM 0 HE21 GLN A 49 53.378 18.313 18.304 1.00 2.12 H new ATOM 0 HE22 GLN A 49 52.367 19.146 19.490 1.00 2.12 H new ATOM 718 N ASP A 50 49.327 12.751 18.024 1.00 3.85 N ATOM 719 CA ASP A 50 48.384 11.685 18.340 1.00 5.51 C ATOM 720 C ASP A 50 48.673 10.447 17.496 1.00 4.73 C ATOM 721 O ASP A 50 48.415 9.321 17.921 1.00 3.05 O ATOM 722 CB ASP A 50 46.953 12.159 18.082 1.00 6.72 C ATOM 723 CG ASP A 50 45.964 11.255 18.810 1.00 3.36 C ATOM 724 OD1 ASP A 50 46.329 10.129 19.106 1.00 2.00 O ATOM 725 OD2 ASP A 50 44.857 11.701 19.060 1.00 3.77 O ATOM 0 H ASP A 50 48.895 13.641 17.777 1.00 3.85 H new ATOM 0 HA ASP A 50 48.496 11.427 19.393 1.00 5.51 H new ATOM 0 HB2 ASP A 50 46.835 13.188 18.422 1.00 6.72 H new ATOM 0 HB3 ASP A 50 46.746 12.151 17.012 1.00 6.72 H new ATOM 730 N MET A 51 49.208 10.665 16.300 1.00 4.95 N ATOM 731 CA MET A 51 49.528 9.560 15.404 1.00 5.39 C ATOM 732 C MET A 51 50.760 8.808 15.900 1.00 5.93 C ATOM 733 O MET A 51 50.715 7.596 16.112 1.00 8.69 O ATOM 734 CB MET A 51 49.785 10.089 13.992 1.00 6.81 C ATOM 735 CG MET A 51 48.465 10.548 13.370 1.00 6.35 C ATOM 736 SD MET A 51 47.693 9.161 12.502 1.00 10.13 S ATOM 737 CE MET A 51 46.522 10.131 11.521 1.00 13.60 C ATOM 0 H MET A 51 49.428 11.590 15.930 1.00 4.95 H new ATOM 0 HA MET A 51 48.680 8.875 15.386 1.00 5.39 H new ATOM 0 HB2 MET A 51 50.491 10.919 14.026 1.00 6.81 H new ATOM 0 HB3 MET A 51 50.237 9.311 13.378 1.00 6.81 H new ATOM 0 HG2 MET A 51 47.797 10.923 14.145 1.00 6.35 H new ATOM 0 HG3 MET A 51 48.644 11.370 12.677 1.00 6.35 H new ATOM 0 HE1 MET A 51 45.929 9.463 10.897 1.00 13.60 H new ATOM 0 HE2 MET A 51 45.862 10.687 12.187 1.00 13.60 H new ATOM 0 HE3 MET A 51 47.069 10.829 10.887 1.00 13.60 H new ATOM 747 N ILE A 52 51.857 9.536 16.083 1.00 7.65 N ATOM 748 CA ILE A 52 53.095 8.927 16.555 1.00 4.46 C ATOM 749 C ILE A 52 52.832 8.070 17.789 1.00 4.03 C ATOM 750 O ILE A 52 53.322 6.945 17.892 1.00 3.57 O ATOM 751 CB ILE A 52 54.116 10.016 16.893 1.00 6.21 C ATOM 752 CG1 ILE A 52 54.849 10.447 15.618 1.00 8.71 C ATOM 753 CG2 ILE A 52 55.128 9.478 17.907 1.00 7.56 C ATOM 754 CD1 ILE A 52 55.616 9.260 15.029 1.00 8.27 C ATOM 0 H ILE A 52 51.914 10.540 15.913 1.00 7.65 H new ATOM 0 HA ILE A 52 53.492 8.291 15.764 1.00 4.46 H new ATOM 0 HB ILE A 52 53.598 10.874 17.321 1.00 6.21 H new ATOM 0 HG12 ILE A 52 54.134 10.827 14.888 1.00 8.71 H new ATOM 0 HG13 ILE A 52 55.538 11.261 15.842 1.00 8.71 H new ATOM 0 HG21 ILE A 52 55.853 10.256 18.145 1.00 7.56 H new ATOM 0 HG22 ILE A 52 54.607 9.177 18.816 1.00 7.56 H new ATOM 0 HG23 ILE A 52 55.645 8.617 17.483 1.00 7.56 H new ATOM 0 HD11 ILE A 52 56.134 9.575 14.123 1.00 8.27 H new ATOM 0 HD12 ILE A 52 56.343 8.900 15.756 1.00 8.27 H new ATOM 0 HD13 ILE A 52 54.917 8.459 14.787 1.00 8.27 H new ATOM 766 N ASN A 53 52.057 8.609 18.724 1.00 2.63 N ATOM 767 CA ASN A 53 51.735 7.885 19.948 1.00 2.00 C ATOM 768 C ASN A 53 51.223 6.485 19.623 1.00 6.04 C ATOM 769 O ASN A 53 51.712 5.494 20.164 1.00 3.59 O ATOM 770 CB ASN A 53 50.674 8.647 20.743 1.00 9.04 C ATOM 771 CG ASN A 53 50.356 7.903 22.035 1.00 3.69 C ATOM 772 OD1 ASN A 53 50.676 6.721 22.167 1.00 2.06 O ATOM 773 ND2 ASN A 53 49.742 8.527 23.003 1.00 3.59 N ATOM 0 H ASN A 53 51.643 9.539 18.659 1.00 2.63 H new ATOM 0 HA ASN A 53 52.642 7.798 20.546 1.00 2.00 H new ATOM 0 HB2 ASN A 53 51.030 9.652 20.971 1.00 9.04 H new ATOM 0 HB3 ASN A 53 49.769 8.757 20.145 1.00 9.04 H new ATOM 0 HD21 ASN A 53 49.526 8.036 23.871 1.00 3.59 H new ATOM 0 HD22 ASN A 53 49.478 9.506 22.892 1.00 3.59 H new ATOM 780 N GLU A 54 50.236 6.413 18.736 1.00 5.74 N ATOM 781 CA GLU A 54 49.665 5.129 18.346 1.00 2.00 C ATOM 782 C GLU A 54 50.765 4.156 17.933 1.00 2.75 C ATOM 783 O GLU A 54 50.627 2.944 18.095 1.00 4.80 O ATOM 784 CB GLU A 54 48.689 5.322 17.184 1.00 2.00 C ATOM 785 CG GLU A 54 47.439 6.049 17.683 1.00 5.28 C ATOM 786 CD GLU A 54 46.526 6.382 16.508 1.00 15.98 C ATOM 787 OE1 GLU A 54 45.755 5.520 16.119 1.00 23.58 O ATOM 788 OE2 GLU A 54 46.610 7.494 16.014 1.00 23.43 O ATOM 0 H GLU A 54 49.818 7.222 18.277 1.00 5.74 H new ATOM 0 HA GLU A 54 49.132 4.715 19.202 1.00 2.00 H new ATOM 0 HB2 GLU A 54 49.163 5.896 16.388 1.00 2.00 H new ATOM 0 HB3 GLU A 54 48.416 4.356 16.760 1.00 2.00 H new ATOM 0 HG2 GLU A 54 46.908 5.425 18.402 1.00 5.28 H new ATOM 0 HG3 GLU A 54 47.723 6.963 18.204 1.00 5.28 H new ATOM 795 N VAL A 55 51.855 4.696 17.399 1.00 2.00 N ATOM 796 CA VAL A 55 52.973 3.865 16.966 1.00 3.29 C ATOM 797 C VAL A 55 54.026 3.769 18.065 1.00 5.38 C ATOM 798 O VAL A 55 54.774 2.794 18.138 1.00 3.32 O ATOM 799 CB VAL A 55 53.603 4.454 15.702 1.00 4.63 C ATOM 800 CG1 VAL A 55 54.377 3.363 14.961 1.00 7.60 C ATOM 801 CG2 VAL A 55 52.501 5.002 14.793 1.00 6.66 C ATOM 0 H VAL A 55 51.988 5.697 17.256 1.00 2.00 H new ATOM 0 HA VAL A 55 52.596 2.865 16.751 1.00 3.29 H new ATOM 0 HB VAL A 55 54.284 5.259 15.977 1.00 4.63 H new ATOM 0 HG11 VAL A 55 54.826 3.783 14.061 1.00 7.60 H new ATOM 0 HG12 VAL A 55 55.161 2.970 15.608 1.00 7.60 H new ATOM 0 HG13 VAL A 55 53.696 2.557 14.685 1.00 7.60 H new ATOM 0 HG21 VAL A 55 52.948 5.422 13.892 1.00 6.66 H new ATOM 0 HG22 VAL A 55 51.821 4.195 14.519 1.00 6.66 H new ATOM 0 HG23 VAL A 55 51.948 5.779 15.320 1.00 6.66 H new ATOM 811 N ASP A 56 54.080 4.788 18.917 1.00 4.38 N ATOM 812 CA ASP A 56 55.046 4.808 20.009 1.00 5.59 C ATOM 813 C ASP A 56 54.349 4.571 21.345 1.00 9.10 C ATOM 814 O ASP A 56 54.074 5.513 22.088 1.00 10.26 O ATOM 815 CB ASP A 56 55.770 6.155 20.040 1.00 5.02 C ATOM 816 CG ASP A 56 57.146 5.992 20.677 1.00 8.99 C ATOM 817 OD1 ASP A 56 57.252 5.232 21.625 1.00 10.72 O ATOM 818 OD2 ASP A 56 58.074 6.630 20.207 1.00 12.55 O ATOM 0 H ASP A 56 53.471 5.605 18.873 1.00 4.38 H new ATOM 0 HA ASP A 56 55.770 4.010 19.844 1.00 5.59 H new ATOM 0 HB2 ASP A 56 55.873 6.546 19.028 1.00 5.02 H new ATOM 0 HB3 ASP A 56 55.183 6.880 20.603 1.00 5.02 H new ATOM 823 N ALA A 57 54.068 3.307 21.643 1.00 9.17 N ATOM 824 CA ALA A 57 53.403 2.957 22.894 1.00 12.52 C ATOM 825 C ALA A 57 54.333 3.194 24.079 1.00 14.37 C ATOM 826 O ALA A 57 53.884 3.302 25.220 1.00 15.13 O ATOM 827 CB ALA A 57 52.974 1.490 22.864 1.00 12.36 C ATOM 0 H ALA A 57 54.288 2.513 21.041 1.00 9.17 H new ATOM 0 HA ALA A 57 52.523 3.590 23.006 1.00 12.52 H new ATOM 0 HB1 ALA A 57 52.478 1.237 23.801 1.00 12.36 H new ATOM 0 HB2 ALA A 57 52.285 1.329 22.034 1.00 12.36 H new ATOM 0 HB3 ALA A 57 53.852 0.857 22.735 1.00 12.36 H new ATOM 833 N ASP A 58 55.630 3.273 23.801 1.00 14.32 N ATOM 834 CA ASP A 58 56.615 3.497 24.853 1.00 13.48 C ATOM 835 C ASP A 58 57.105 4.941 24.830 1.00 13.08 C ATOM 836 O ASP A 58 57.877 5.359 25.693 1.00 14.09 O ATOM 837 CB ASP A 58 57.802 2.550 24.667 1.00 11.69 C ATOM 838 CG ASP A 58 57.407 1.391 23.759 1.00 12.70 C ATOM 839 OD1 ASP A 58 56.389 0.775 24.026 1.00 6.62 O ATOM 840 OD2 ASP A 58 58.129 1.136 22.809 1.00 9.36 O ATOM 0 H ASP A 58 56.022 3.186 22.863 1.00 14.32 H new ATOM 0 HA ASP A 58 56.142 3.302 25.815 1.00 13.48 H new ATOM 0 HB2 ASP A 58 58.645 3.090 24.235 1.00 11.69 H new ATOM 0 HB3 ASP A 58 58.129 2.170 25.635 1.00 11.69 H new ATOM 845 N GLY A 59 56.650 5.699 23.837 1.00 13.64 N ATOM 846 CA GLY A 59 57.050 7.096 23.712 1.00 12.80 C ATOM 847 C GLY A 59 58.551 7.255 23.923 1.00 12.45 C ATOM 848 O GLY A 59 59.013 8.284 24.415 1.00 11.32 O ATOM 0 H GLY A 59 56.010 5.373 23.113 1.00 13.64 H new ATOM 0 HA2 GLY A 59 56.776 7.470 22.725 1.00 12.80 H new ATOM 0 HA3 GLY A 59 56.511 7.699 24.442 1.00 12.80 H new ATOM 852 N ASP A 60 59.308 6.228 23.549 1.00 10.86 N ATOM 853 CA ASP A 60 60.758 6.265 23.703 1.00 11.08 C ATOM 854 C ASP A 60 61.350 7.436 22.924 1.00 11.89 C ATOM 855 O ASP A 60 62.527 7.763 23.076 1.00 13.26 O ATOM 856 CB ASP A 60 61.370 4.955 23.203 1.00 13.03 C ATOM 857 CG ASP A 60 60.445 4.306 22.179 1.00 13.27 C ATOM 858 OD1 ASP A 60 60.243 4.898 21.132 1.00 9.09 O ATOM 859 OD2 ASP A 60 59.952 3.225 22.457 1.00 7.54 O ATOM 0 H ASP A 60 58.945 5.367 23.140 1.00 10.86 H new ATOM 0 HA ASP A 60 60.989 6.393 24.760 1.00 11.08 H new ATOM 0 HB2 ASP A 60 62.345 5.147 22.755 1.00 13.03 H new ATOM 0 HB3 ASP A 60 61.532 4.277 24.041 1.00 13.03 H new ATOM 864 N GLY A 61 60.526 8.062 22.090 1.00 11.65 N ATOM 865 CA GLY A 61 60.979 9.196 21.293 1.00 9.60 C ATOM 866 C GLY A 61 61.165 8.795 19.833 1.00 9.33 C ATOM 867 O GLY A 61 61.363 9.646 18.966 1.00 7.68 O ATOM 0 H GLY A 61 59.549 7.806 21.949 1.00 11.65 H new ATOM 0 HA2 GLY A 61 60.254 10.007 21.362 1.00 9.60 H new ATOM 0 HA3 GLY A 61 61.920 9.574 21.693 1.00 9.60 H new ATOM 871 N THR A 62 61.099 7.494 19.569 1.00 6.58 N ATOM 872 CA THR A 62 61.262 6.992 18.209 1.00 6.33 C ATOM 873 C THR A 62 60.218 5.923 17.905 1.00 7.13 C ATOM 874 O THR A 62 59.461 5.512 18.785 1.00 6.30 O ATOM 875 CB THR A 62 62.665 6.404 18.033 1.00 7.99 C ATOM 876 OG1 THR A 62 63.278 6.261 19.307 1.00 9.62 O ATOM 877 CG2 THR A 62 63.507 7.336 17.161 1.00 11.55 C ATOM 0 H THR A 62 60.935 6.773 20.272 1.00 6.58 H new ATOM 0 HA THR A 62 61.128 7.823 17.516 1.00 6.33 H new ATOM 0 HB THR A 62 62.593 5.429 17.551 1.00 7.99 H new ATOM 0 HG1 THR A 62 64.176 5.883 19.198 1.00 9.62 H new ATOM 0 HG21 THR A 62 64.505 6.915 17.037 1.00 11.55 H new ATOM 0 HG22 THR A 62 63.035 7.445 16.184 1.00 11.55 H new ATOM 0 HG23 THR A 62 63.582 8.313 17.639 1.00 11.55 H new ATOM 885 N ILE A 63 60.181 5.478 16.653 1.00 7.32 N ATOM 886 CA ILE A 63 59.224 4.457 16.244 1.00 8.34 C ATOM 887 C ILE A 63 59.938 3.150 15.916 1.00 8.66 C ATOM 888 O ILE A 63 60.700 3.072 14.952 1.00 7.62 O ATOM 889 CB ILE A 63 58.443 4.934 15.018 1.00 8.46 C ATOM 890 CG1 ILE A 63 57.451 6.021 15.439 1.00 10.06 C ATOM 891 CG2 ILE A 63 57.681 3.757 14.408 1.00 7.97 C ATOM 892 CD1 ILE A 63 56.738 6.569 14.201 1.00 9.28 C ATOM 0 H ILE A 63 60.798 5.806 15.909 1.00 7.32 H new ATOM 0 HA ILE A 63 58.535 4.283 17.070 1.00 8.34 H new ATOM 0 HB ILE A 63 59.136 5.339 14.280 1.00 8.46 H new ATOM 0 HG12 ILE A 63 56.723 5.612 16.140 1.00 10.06 H new ATOM 0 HG13 ILE A 63 57.974 6.825 15.956 1.00 10.06 H new ATOM 0 HG21 ILE A 63 57.125 4.097 13.535 1.00 7.97 H new ATOM 0 HG22 ILE A 63 58.387 2.982 14.109 1.00 7.97 H new ATOM 0 HG23 ILE A 63 56.987 3.352 15.145 1.00 7.97 H new ATOM 0 HD11 ILE A 63 56.032 7.343 14.501 1.00 9.28 H new ATOM 0 HD12 ILE A 63 57.472 6.993 13.516 1.00 9.28 H new ATOM 0 HD13 ILE A 63 56.202 5.761 13.703 1.00 9.28 H new ATOM 904 N ASP A 64 59.685 2.125 16.723 1.00 8.67 N ATOM 905 CA ASP A 64 60.306 0.823 16.510 1.00 8.18 C ATOM 906 C ASP A 64 59.592 0.071 15.390 1.00 5.74 C ATOM 907 O ASP A 64 58.379 0.196 15.223 1.00 3.75 O ATOM 908 CB ASP A 64 60.252 0.005 17.802 1.00 8.75 C ATOM 909 CG ASP A 64 60.137 0.938 19.003 1.00 7.61 C ATOM 910 OD1 ASP A 64 60.466 2.103 18.857 1.00 11.33 O ATOM 911 OD2 ASP A 64 59.720 0.473 20.051 1.00 9.97 O ATOM 0 H ASP A 64 59.058 2.170 17.526 1.00 8.67 H new ATOM 0 HA ASP A 64 61.347 0.974 16.222 1.00 8.18 H new ATOM 0 HB2 ASP A 64 59.401 -0.676 17.776 1.00 8.75 H new ATOM 0 HB3 ASP A 64 61.148 -0.609 17.892 1.00 8.75 H new ATOM 916 N PHE A 65 60.350 -0.706 14.620 1.00 6.48 N ATOM 917 CA PHE A 65 59.770 -1.464 13.517 1.00 6.44 C ATOM 918 C PHE A 65 58.908 -2.617 14.035 1.00 6.12 C ATOM 919 O PHE A 65 57.868 -2.928 13.454 1.00 4.44 O ATOM 920 CB PHE A 65 60.878 -2.004 12.604 1.00 5.02 C ATOM 921 CG PHE A 65 60.395 -3.247 11.893 1.00 5.00 C ATOM 922 CD1 PHE A 65 60.076 -3.194 10.531 1.00 7.40 C ATOM 923 CD2 PHE A 65 60.266 -4.451 12.596 1.00 5.31 C ATOM 924 CE1 PHE A 65 59.629 -4.345 9.872 1.00 6.56 C ATOM 925 CE2 PHE A 65 59.819 -5.602 11.937 1.00 7.32 C ATOM 926 CZ PHE A 65 59.500 -5.549 10.575 1.00 5.90 C ATOM 0 H PHE A 65 61.356 -0.826 14.738 1.00 6.48 H new ATOM 0 HA PHE A 65 59.131 -0.792 12.944 1.00 6.44 H new ATOM 0 HB2 PHE A 65 61.164 -1.245 11.876 1.00 5.02 H new ATOM 0 HB3 PHE A 65 61.767 -2.232 13.192 1.00 5.02 H new ATOM 0 HD1 PHE A 65 60.175 -2.265 9.989 1.00 7.40 H new ATOM 0 HD2 PHE A 65 60.511 -4.492 13.647 1.00 5.31 H new ATOM 0 HE1 PHE A 65 59.384 -4.304 8.821 1.00 6.56 H new ATOM 0 HE2 PHE A 65 59.720 -6.531 12.479 1.00 7.32 H new ATOM 0 HZ PHE A 65 59.154 -6.437 10.066 1.00 5.90 H new ATOM 936 N PRO A 66 59.311 -3.249 15.108 1.00 5.59 N ATOM 937 CA PRO A 66 58.545 -4.385 15.700 1.00 3.90 C ATOM 938 C PRO A 66 57.091 -4.009 15.970 1.00 4.48 C ATOM 939 O PRO A 66 56.171 -4.738 15.598 1.00 6.66 O ATOM 940 CB PRO A 66 59.281 -4.690 17.008 1.00 6.57 C ATOM 941 CG PRO A 66 60.656 -4.137 16.833 1.00 2.24 C ATOM 942 CD PRO A 66 60.533 -2.956 15.873 1.00 3.70 C ATOM 0 HA PRO A 66 58.502 -5.242 15.028 1.00 3.90 H new ATOM 0 HB2 PRO A 66 58.778 -4.228 17.858 1.00 6.57 H new ATOM 0 HB3 PRO A 66 59.311 -5.763 17.200 1.00 6.57 H new ATOM 0 HG2 PRO A 66 61.069 -3.817 17.789 1.00 2.24 H new ATOM 0 HG3 PRO A 66 61.330 -4.894 16.432 1.00 2.24 H new ATOM 0 HD2 PRO A 66 60.451 -2.011 16.410 1.00 3.70 H new ATOM 0 HD3 PRO A 66 61.403 -2.878 15.222 1.00 3.70 H new ATOM 950 N GLU A 67 56.892 -2.864 16.615 1.00 3.17 N ATOM 951 CA GLU A 67 55.546 -2.398 16.926 1.00 5.95 C ATOM 952 C GLU A 67 54.865 -1.869 15.669 1.00 6.62 C ATOM 953 O GLU A 67 53.648 -1.977 15.518 1.00 3.48 O ATOM 954 CB GLU A 67 55.606 -1.292 17.981 1.00 5.69 C ATOM 955 CG GLU A 67 56.697 -1.617 19.003 1.00 5.12 C ATOM 956 CD GLU A 67 56.841 -0.467 19.995 1.00 3.86 C ATOM 957 OE1 GLU A 67 55.972 0.389 20.010 1.00 7.44 O ATOM 958 OE2 GLU A 67 57.819 -0.459 20.724 1.00 5.11 O ATOM 0 H GLU A 67 57.640 -2.246 16.930 1.00 3.17 H new ATOM 0 HA GLU A 67 54.969 -3.237 17.315 1.00 5.95 H new ATOM 0 HB2 GLU A 67 55.813 -0.333 17.506 1.00 5.69 H new ATOM 0 HB3 GLU A 67 54.642 -1.199 18.480 1.00 5.69 H new ATOM 0 HG2 GLU A 67 56.448 -2.536 19.533 1.00 5.12 H new ATOM 0 HG3 GLU A 67 57.645 -1.789 18.493 1.00 5.12 H new ATOM 965 N PHE A 68 55.659 -1.297 14.769 1.00 6.05 N ATOM 966 CA PHE A 68 55.122 -0.756 13.527 1.00 4.52 C ATOM 967 C PHE A 68 54.236 -1.786 12.835 1.00 3.96 C ATOM 968 O PHE A 68 53.305 -1.433 12.111 1.00 5.29 O ATOM 969 CB PHE A 68 56.266 -0.355 12.594 1.00 4.53 C ATOM 970 CG PHE A 68 55.730 0.518 11.485 1.00 2.68 C ATOM 971 CD1 PHE A 68 55.654 1.905 11.660 1.00 8.58 C ATOM 972 CD2 PHE A 68 55.308 -0.059 10.281 1.00 2.58 C ATOM 973 CE1 PHE A 68 55.156 2.715 10.632 1.00 5.36 C ATOM 974 CE2 PHE A 68 54.810 0.750 9.253 1.00 7.42 C ATOM 975 CZ PHE A 68 54.734 2.137 9.429 1.00 2.84 C ATOM 0 H PHE A 68 56.668 -1.197 14.876 1.00 6.05 H new ATOM 0 HA PHE A 68 54.522 0.123 13.764 1.00 4.52 H new ATOM 0 HB2 PHE A 68 57.034 0.179 13.153 1.00 4.53 H new ATOM 0 HB3 PHE A 68 56.737 -1.245 12.175 1.00 4.53 H new ATOM 0 HD1 PHE A 68 55.980 2.350 12.588 1.00 8.58 H new ATOM 0 HD2 PHE A 68 55.367 -1.129 10.145 1.00 2.58 H new ATOM 0 HE1 PHE A 68 55.098 3.785 10.767 1.00 5.36 H new ATOM 0 HE2 PHE A 68 54.485 0.305 8.325 1.00 7.42 H new ATOM 0 HZ PHE A 68 54.350 2.761 8.636 1.00 2.84 H new ATOM 985 N LEU A 69 54.526 -3.062 13.072 1.00 3.21 N ATOM 986 CA LEU A 69 53.745 -4.137 12.476 1.00 2.17 C ATOM 987 C LEU A 69 52.496 -4.406 13.309 1.00 2.00 C ATOM 988 O LEU A 69 51.425 -4.683 12.770 1.00 4.25 O ATOM 989 CB LEU A 69 54.590 -5.411 12.392 1.00 4.14 C ATOM 990 CG LEU A 69 54.479 -6.010 10.989 1.00 4.19 C ATOM 991 CD1 LEU A 69 55.536 -7.101 10.815 1.00 3.81 C ATOM 992 CD2 LEU A 69 53.086 -6.617 10.805 1.00 9.43 C ATOM 0 H LEU A 69 55.292 -3.374 13.669 1.00 3.21 H new ATOM 0 HA LEU A 69 53.445 -3.836 11.472 1.00 2.17 H new ATOM 0 HB2 LEU A 69 55.631 -5.184 12.620 1.00 4.14 H new ATOM 0 HB3 LEU A 69 54.251 -6.134 13.135 1.00 4.14 H new ATOM 0 HG LEU A 69 54.638 -5.229 10.246 1.00 4.19 H new ATOM 0 HD11 LEU A 69 55.457 -7.528 9.815 1.00 3.81 H new ATOM 0 HD12 LEU A 69 56.529 -6.671 10.948 1.00 3.81 H new ATOM 0 HD13 LEU A 69 55.377 -7.883 11.557 1.00 3.81 H new ATOM 0 HD21 LEU A 69 53.005 -7.045 9.806 1.00 9.43 H new ATOM 0 HD22 LEU A 69 52.929 -7.399 11.548 1.00 9.43 H new ATOM 0 HD23 LEU A 69 52.331 -5.840 10.930 1.00 9.43 H new ATOM 1004 N THR A 70 52.645 -4.322 14.628 1.00 3.70 N ATOM 1005 CA THR A 70 51.523 -4.558 15.530 1.00 5.12 C ATOM 1006 C THR A 70 50.529 -3.404 15.458 1.00 5.47 C ATOM 1007 O THR A 70 49.319 -3.608 15.554 1.00 6.71 O ATOM 1008 CB THR A 70 52.030 -4.710 16.966 1.00 6.65 C ATOM 1009 OG1 THR A 70 53.435 -4.921 16.950 1.00 7.41 O ATOM 1010 CG2 THR A 70 51.340 -5.903 17.629 1.00 7.53 C ATOM 0 H THR A 70 53.524 -4.094 15.093 1.00 3.70 H new ATOM 0 HA THR A 70 51.021 -5.476 15.224 1.00 5.12 H new ATOM 0 HB THR A 70 51.805 -3.805 17.529 1.00 6.65 H new ATOM 0 HG1 THR A 70 53.762 -5.017 17.869 1.00 7.41 H new ATOM 0 HG21 THR A 70 51.702 -6.010 18.652 1.00 7.53 H new ATOM 0 HG22 THR A 70 50.262 -5.740 17.641 1.00 7.53 H new ATOM 0 HG23 THR A 70 51.563 -6.810 17.068 1.00 7.53 H new ATOM 1018 N MET A 71 51.048 -2.192 15.289 1.00 4.38 N ATOM 1019 CA MET A 71 50.195 -1.013 15.205 1.00 6.23 C ATOM 1020 C MET A 71 49.166 -1.175 14.091 1.00 7.97 C ATOM 1021 O MET A 71 47.992 -0.846 14.263 1.00 7.91 O ATOM 1022 CB MET A 71 51.046 0.230 14.939 1.00 7.76 C ATOM 1023 CG MET A 71 50.133 1.418 14.631 1.00 9.30 C ATOM 1024 SD MET A 71 48.822 1.511 15.875 1.00 11.86 S ATOM 1025 CE MET A 71 47.697 2.575 14.941 1.00 11.60 C ATOM 0 H MET A 71 52.047 -2.002 15.208 1.00 4.38 H new ATOM 0 HA MET A 71 49.672 -0.898 16.154 1.00 6.23 H new ATOM 0 HB2 MET A 71 51.667 0.451 15.807 1.00 7.76 H new ATOM 0 HB3 MET A 71 51.720 0.050 14.102 1.00 7.76 H new ATOM 0 HG2 MET A 71 50.711 2.342 14.626 1.00 9.30 H new ATOM 0 HG3 MET A 71 49.699 1.308 13.637 1.00 9.30 H new ATOM 0 HE1 MET A 71 46.961 3.010 15.618 1.00 11.60 H new ATOM 0 HE2 MET A 71 48.265 3.373 14.461 1.00 11.60 H new ATOM 0 HE3 MET A 71 47.186 1.985 14.180 1.00 11.60 H new ATOM 1035 N MET A 72 49.614 -1.686 12.948 1.00 9.49 N ATOM 1036 CA MET A 72 48.723 -1.888 11.812 1.00 9.20 C ATOM 1037 C MET A 72 48.079 -3.269 11.875 1.00 8.73 C ATOM 1038 O MET A 72 46.902 -3.431 11.553 1.00 8.56 O ATOM 1039 CB MET A 72 49.505 -1.747 10.504 1.00 11.85 C ATOM 1040 CG MET A 72 50.697 -2.705 10.515 1.00 12.33 C ATOM 1041 SD MET A 72 52.078 -1.960 9.613 1.00 22.32 S ATOM 1042 CE MET A 72 51.124 -1.352 8.200 1.00 15.46 C ATOM 0 H MET A 72 50.581 -1.966 12.785 1.00 9.49 H new ATOM 0 HA MET A 72 47.939 -1.132 11.850 1.00 9.20 H new ATOM 0 HB2 MET A 72 48.857 -1.966 9.655 1.00 11.85 H new ATOM 0 HB3 MET A 72 49.851 -0.720 10.384 1.00 11.85 H new ATOM 0 HG2 MET A 72 50.994 -2.922 11.541 1.00 12.33 H new ATOM 0 HG3 MET A 72 50.419 -3.654 10.056 1.00 12.33 H new ATOM 0 HE1 MET A 72 51.778 -1.259 7.333 1.00 15.46 H new ATOM 0 HE2 MET A 72 50.320 -2.053 7.975 1.00 15.46 H new ATOM 0 HE3 MET A 72 50.699 -0.378 8.440 1.00 15.46 H new ATOM 1052 N ALA A 73 48.858 -4.262 12.291 1.00 8.08 N ATOM 1053 CA ALA A 73 48.353 -5.627 12.393 1.00 7.41 C ATOM 1054 C ALA A 73 47.344 -5.742 13.531 1.00 8.06 C ATOM 1055 O ALA A 73 46.402 -6.532 13.460 1.00 5.90 O ATOM 1056 CB ALA A 73 49.511 -6.596 12.635 1.00 9.15 C ATOM 0 H ALA A 73 49.835 -4.149 12.561 1.00 8.08 H new ATOM 0 HA ALA A 73 47.857 -5.881 11.456 1.00 7.41 H new ATOM 0 HB1 ALA A 73 49.125 -7.613 12.710 1.00 9.15 H new ATOM 0 HB2 ALA A 73 50.215 -6.535 11.805 1.00 9.15 H new ATOM 0 HB3 ALA A 73 50.019 -6.332 13.562 1.00 9.15 H new ATOM 1062 N ARG A 74 47.548 -4.951 14.579 1.00 7.07 N ATOM 1063 CA ARG A 74 46.650 -4.974 15.727 1.00 10.51 C ATOM 1064 C ARG A 74 45.341 -4.263 15.398 1.00 13.70 C ATOM 1065 O ARG A 74 44.261 -4.736 15.751 1.00 13.80 O ATOM 1066 CB ARG A 74 47.315 -4.294 16.925 1.00 9.06 C ATOM 1067 CG ARG A 74 46.416 -4.431 18.155 1.00 8.61 C ATOM 1068 CD ARG A 74 47.027 -3.655 19.324 1.00 8.72 C ATOM 1069 NE ARG A 74 46.386 -4.040 20.576 1.00 7.70 N ATOM 1070 CZ ARG A 74 46.566 -3.333 21.686 1.00 10.03 C ATOM 1071 NH1 ARG A 74 45.982 -3.698 22.795 1.00 9.17 N ATOM 1072 NH2 ARG A 74 47.328 -2.274 21.669 1.00 12.90 N ATOM 0 H ARG A 74 48.321 -4.291 14.657 1.00 7.07 H new ATOM 0 HA ARG A 74 46.434 -6.013 15.974 1.00 10.51 H new ATOM 0 HB2 ARG A 74 48.287 -4.747 17.120 1.00 9.06 H new ATOM 0 HB3 ARG A 74 47.492 -3.241 16.707 1.00 9.06 H new ATOM 0 HG2 ARG A 74 45.419 -4.050 17.934 1.00 8.61 H new ATOM 0 HG3 ARG A 74 46.304 -5.482 18.421 1.00 8.61 H new ATOM 0 HD2 ARG A 74 48.098 -3.852 19.380 1.00 8.72 H new ATOM 0 HD3 ARG A 74 46.908 -2.584 19.161 1.00 8.72 H new ATOM 0 HE ARG A 74 45.789 -4.867 20.600 1.00 7.70 H new ATOM 0 HH11 ARG A 74 45.387 -4.526 22.809 1.00 9.17 H new ATOM 0 HH12 ARG A 74 46.121 -3.155 23.647 1.00 9.17 H new ATOM 0 HH21 ARG A 74 47.786 -1.989 20.803 1.00 12.90 H new ATOM 0 HH22 ARG A 74 47.466 -1.731 22.522 1.00 12.90 H new ATOM 1086 N LYS A 75 45.446 -3.124 14.721 1.00 16.35 N ATOM 1087 CA LYS A 75 44.264 -2.356 14.349 1.00 20.00 C ATOM 1088 C LYS A 75 43.239 -3.250 13.659 1.00 24.09 C ATOM 1089 O LYS A 75 42.033 -3.041 13.785 1.00 25.18 O ATOM 1090 CB LYS A 75 44.657 -1.211 13.415 1.00 19.04 C ATOM 1091 CG LYS A 75 43.879 0.050 13.796 1.00 19.89 C ATOM 1092 CD LYS A 75 42.378 -0.233 13.718 1.00 18.07 C ATOM 1093 CE LYS A 75 41.616 1.086 13.572 1.00 18.98 C ATOM 1094 NZ LYS A 75 41.562 1.776 14.892 1.00 19.67 N ATOM 0 H LYS A 75 46.331 -2.715 14.421 1.00 16.35 H new ATOM 0 HA LYS A 75 43.820 -1.947 15.256 1.00 20.00 H new ATOM 0 HB2 LYS A 75 45.729 -1.024 13.483 1.00 19.04 H new ATOM 0 HB3 LYS A 75 44.446 -1.483 12.381 1.00 19.04 H new ATOM 0 HG2 LYS A 75 44.148 0.366 14.804 1.00 19.89 H new ATOM 0 HG3 LYS A 75 44.141 0.868 13.125 1.00 19.89 H new ATOM 0 HD2 LYS A 75 42.164 -0.885 12.871 1.00 18.07 H new ATOM 0 HD3 LYS A 75 42.049 -0.758 14.615 1.00 18.07 H new ATOM 0 HE2 LYS A 75 42.107 1.723 12.836 1.00 18.98 H new ATOM 0 HE3 LYS A 75 40.607 0.897 13.207 1.00 18.98 H new ATOM 0 HZ1 LYS A 75 41.044 2.673 14.794 1.00 19.67 H new ATOM 0 HZ2 LYS A 75 41.075 1.169 15.582 1.00 19.67 H new ATOM 0 HZ3 LYS A 75 42.529 1.969 15.223 1.00 19.67 H new ATOM 1108 N MET A 76 43.728 -4.247 12.929 1.00 27.98 N ATOM 1109 CA MET A 76 42.845 -5.168 12.222 1.00 31.28 C ATOM 1110 C MET A 76 42.255 -6.192 13.186 1.00 33.28 C ATOM 1111 O MET A 76 41.488 -7.067 12.785 1.00 34.71 O ATOM 1112 CB MET A 76 43.620 -5.891 11.118 1.00 31.71 C ATOM 1113 CG MET A 76 43.595 -5.049 9.841 1.00 33.18 C ATOM 1114 SD MET A 76 44.775 -5.728 8.648 1.00 34.79 S ATOM 1115 CE MET A 76 43.566 -6.498 7.545 1.00 33.37 C ATOM 0 H MET A 76 44.723 -4.437 12.812 1.00 27.98 H new ATOM 0 HA MET A 76 42.032 -4.593 11.779 1.00 31.28 H new ATOM 0 HB2 MET A 76 44.649 -6.062 11.434 1.00 31.71 H new ATOM 0 HB3 MET A 76 43.178 -6.869 10.930 1.00 31.71 H new ATOM 0 HG2 MET A 76 42.592 -5.045 9.415 1.00 33.18 H new ATOM 0 HG3 MET A 76 43.848 -4.014 10.070 1.00 33.18 H new ATOM 0 HE1 MET A 76 44.085 -6.986 6.720 1.00 33.37 H new ATOM 0 HE2 MET A 76 42.988 -7.238 8.099 1.00 33.37 H new ATOM 0 HE3 MET A 76 42.895 -5.735 7.151 1.00 33.37 H new ATOM 1125 N LYS A 77 42.618 -6.076 14.459 1.00 35.40 N ATOM 1126 CA LYS A 77 42.118 -6.998 15.473 1.00 36.50 C ATOM 1127 C LYS A 77 41.215 -6.268 16.462 1.00 37.55 C ATOM 1128 O LYS A 77 41.170 -6.609 17.644 1.00 37.57 O ATOM 1129 CB LYS A 77 43.290 -7.635 16.223 1.00 36.85 C ATOM 1130 CG LYS A 77 44.034 -8.592 15.289 1.00 37.43 C ATOM 1131 CD LYS A 77 45.149 -9.297 16.064 1.00 37.60 C ATOM 1132 CE LYS A 77 44.708 -10.720 16.413 1.00 37.65 C ATOM 1133 NZ LYS A 77 43.468 -10.666 17.239 1.00 35.44 N ATOM 0 H LYS A 77 43.252 -5.359 14.812 1.00 35.40 H new ATOM 0 HA LYS A 77 41.539 -7.776 14.976 1.00 36.50 H new ATOM 0 HB2 LYS A 77 43.968 -6.862 16.584 1.00 36.85 H new ATOM 0 HB3 LYS A 77 42.926 -8.173 17.098 1.00 36.85 H new ATOM 0 HG2 LYS A 77 43.342 -9.327 14.877 1.00 37.43 H new ATOM 0 HG3 LYS A 77 44.454 -8.042 14.447 1.00 37.43 H new ATOM 0 HD2 LYS A 77 46.061 -9.324 15.467 1.00 37.60 H new ATOM 0 HD3 LYS A 77 45.380 -8.743 16.974 1.00 37.60 H new ATOM 0 HE2 LYS A 77 44.527 -11.290 15.502 1.00 37.65 H new ATOM 0 HE3 LYS A 77 45.499 -11.234 16.958 1.00 37.65 H new ATOM 0 HZ1 LYS A 77 43.281 -11.605 17.646 1.00 35.44 H new ATOM 0 HZ2 LYS A 77 43.592 -9.975 18.006 1.00 35.44 H new ATOM 0 HZ3 LYS A 77 42.665 -10.381 16.642 1.00 35.44 H new ATOM 1147 N ASP A 78 40.499 -5.262 15.971 1.00 38.44 N ATOM 1148 CA ASP A 78 39.600 -4.491 16.822 1.00 38.90 C ATOM 1149 C ASP A 78 38.591 -3.721 15.976 1.00 38.64 C ATOM 1150 O ASP A 78 38.555 -3.861 14.754 1.00 38.62 O ATOM 1151 CB ASP A 78 40.404 -3.512 17.679 1.00 39.45 C ATOM 1152 CG ASP A 78 40.894 -2.350 16.822 1.00 40.62 C ATOM 1153 OD1 ASP A 78 40.751 -2.430 15.613 1.00 41.55 O ATOM 1154 OD2 ASP A 78 41.406 -1.397 17.387 1.00 42.58 O ATOM 0 H ASP A 78 40.523 -4.963 14.996 1.00 38.44 H new ATOM 0 HA ASP A 78 39.061 -5.182 17.470 1.00 38.90 H new ATOM 0 HB2 ASP A 78 39.786 -3.138 18.495 1.00 39.45 H new ATOM 0 HB3 ASP A 78 41.253 -4.024 18.132 1.00 39.45 H new ATOM 1159 N THR A 79 37.773 -2.906 16.635 1.00 38.19 N ATOM 1160 CA THR A 79 36.767 -2.118 15.933 1.00 37.86 C ATOM 1161 C THR A 79 37.409 -0.910 15.258 1.00 37.73 C ATOM 1162 O THR A 79 38.479 -0.457 15.662 1.00 37.97 O ATOM 1163 CB THR A 79 35.694 -1.645 16.917 1.00 37.85 C ATOM 1164 OG1 THR A 79 34.597 -1.105 16.194 1.00 37.57 O ATOM 1165 CG2 THR A 79 36.279 -0.572 17.837 1.00 38.40 C ATOM 0 H THR A 79 37.787 -2.775 17.646 1.00 38.19 H new ATOM 0 HA THR A 79 36.308 -2.746 15.169 1.00 37.86 H new ATOM 0 HB THR A 79 35.354 -2.489 17.518 1.00 37.85 H new ATOM 0 HG1 THR A 79 33.908 -0.803 16.822 1.00 37.57 H new ATOM 0 HG21 THR A 79 35.514 -0.236 18.537 1.00 38.40 H new ATOM 0 HG22 THR A 79 37.121 -0.987 18.391 1.00 38.40 H new ATOM 0 HG23 THR A 79 36.620 0.273 17.239 1.00 38.40 H new ATOM 1173 N ASP A 80 36.747 -0.394 14.228 1.00 36.93 N ATOM 1174 CA ASP A 80 37.262 0.762 13.503 1.00 35.96 C ATOM 1175 C ASP A 80 36.181 1.827 13.354 1.00 34.62 C ATOM 1176 O ASP A 80 34.994 1.549 13.524 1.00 34.15 O ATOM 1177 CB ASP A 80 37.754 0.334 12.119 1.00 36.21 C ATOM 1178 CG ASP A 80 36.586 -0.183 11.287 1.00 36.84 C ATOM 1179 OD1 ASP A 80 36.093 0.569 10.463 1.00 37.34 O ATOM 1180 OD2 ASP A 80 36.201 -1.324 11.487 1.00 37.51 O ATOM 0 H ASP A 80 35.859 -0.755 13.878 1.00 36.93 H new ATOM 0 HA ASP A 80 38.093 1.182 14.070 1.00 35.96 H new ATOM 0 HB2 ASP A 80 38.225 1.178 11.615 1.00 36.21 H new ATOM 0 HB3 ASP A 80 38.513 -0.442 12.218 1.00 36.21 H new ATOM 1185 N SER A 81 36.599 3.047 13.034 1.00 33.12 N ATOM 1186 CA SER A 81 35.657 4.148 12.864 1.00 32.50 C ATOM 1187 C SER A 81 35.694 4.668 11.430 1.00 31.96 C ATOM 1188 O SER A 81 36.766 4.866 10.859 1.00 32.51 O ATOM 1189 CB SER A 81 36.001 5.282 13.829 1.00 32.54 C ATOM 1190 OG SER A 81 37.335 5.712 13.593 1.00 31.58 O ATOM 0 H SER A 81 37.577 3.298 12.888 1.00 33.12 H new ATOM 0 HA SER A 81 34.654 3.780 13.079 1.00 32.50 H new ATOM 0 HB2 SER A 81 35.309 6.113 13.692 1.00 32.54 H new ATOM 0 HB3 SER A 81 35.893 4.943 14.859 1.00 32.54 H new ATOM 0 HG SER A 81 37.558 6.441 14.209 1.00 31.58 H new ATOM 1196 N GLU A 82 34.516 4.887 10.855 1.00 30.82 N ATOM 1197 CA GLU A 82 34.426 5.385 9.488 1.00 29.89 C ATOM 1198 C GLU A 82 35.171 6.708 9.348 1.00 28.70 C ATOM 1199 O GLU A 82 35.379 7.201 8.239 1.00 28.16 O ATOM 1200 CB GLU A 82 32.959 5.580 9.099 1.00 30.37 C ATOM 1201 CG GLU A 82 32.255 4.222 9.064 1.00 31.12 C ATOM 1202 CD GLU A 82 32.488 3.548 7.716 1.00 32.64 C ATOM 1203 OE1 GLU A 82 33.452 3.902 7.058 1.00 34.28 O ATOM 1204 OE2 GLU A 82 31.699 2.687 7.362 1.00 32.86 O ATOM 0 H GLU A 82 33.617 4.729 11.310 1.00 30.82 H new ATOM 0 HA GLU A 82 34.884 4.652 8.824 1.00 29.89 H new ATOM 0 HB2 GLU A 82 32.467 6.238 9.815 1.00 30.37 H new ATOM 0 HB3 GLU A 82 32.891 6.062 8.124 1.00 30.37 H new ATOM 0 HG2 GLU A 82 32.631 3.588 9.867 1.00 31.12 H new ATOM 0 HG3 GLU A 82 31.186 4.353 9.235 1.00 31.12 H new ATOM 1211 N GLU A 83 35.571 7.278 10.480 1.00 27.40 N ATOM 1212 CA GLU A 83 36.293 8.545 10.472 1.00 26.44 C ATOM 1213 C GLU A 83 37.503 8.467 9.545 1.00 24.80 C ATOM 1214 O GLU A 83 37.604 9.221 8.577 1.00 24.59 O ATOM 1215 CB GLU A 83 36.755 8.893 11.888 1.00 26.68 C ATOM 1216 CG GLU A 83 35.661 9.690 12.601 1.00 28.12 C ATOM 1217 CD GLU A 83 34.317 8.989 12.442 1.00 29.86 C ATOM 1218 OE1 GLU A 83 33.915 8.304 13.369 1.00 30.91 O ATOM 1219 OE2 GLU A 83 33.709 9.146 11.397 1.00 30.49 O ATOM 0 H GLU A 83 35.409 6.886 11.408 1.00 27.40 H new ATOM 0 HA GLU A 83 35.620 9.322 10.109 1.00 26.44 H new ATOM 0 HB2 GLU A 83 36.977 7.982 12.444 1.00 26.68 H new ATOM 0 HB3 GLU A 83 37.676 9.474 11.849 1.00 26.68 H new ATOM 0 HG2 GLU A 83 35.904 9.792 13.659 1.00 28.12 H new ATOM 0 HG3 GLU A 83 35.606 10.697 12.188 1.00 28.12 H new ATOM 1226 N GLU A 84 38.416 7.552 9.849 1.00 22.86 N ATOM 1227 CA GLU A 84 39.615 7.384 9.036 1.00 21.10 C ATOM 1228 C GLU A 84 39.246 6.960 7.618 1.00 19.58 C ATOM 1229 O GLU A 84 39.628 7.612 6.646 1.00 18.69 O ATOM 1230 CB GLU A 84 40.530 6.331 9.664 1.00 21.32 C ATOM 1231 CG GLU A 84 41.990 6.681 9.371 1.00 21.26 C ATOM 1232 CD GLU A 84 42.878 5.467 9.622 1.00 20.61 C ATOM 1233 OE1 GLU A 84 42.336 4.403 9.873 1.00 18.73 O ATOM 1234 OE2 GLU A 84 44.087 5.620 9.561 1.00 19.88 O ATOM 0 H GLU A 84 38.350 6.919 10.646 1.00 22.86 H new ATOM 0 HA GLU A 84 40.138 8.339 8.993 1.00 21.10 H new ATOM 0 HB2 GLU A 84 40.365 6.286 10.741 1.00 21.32 H new ATOM 0 HB3 GLU A 84 40.294 5.345 9.264 1.00 21.32 H new ATOM 0 HG2 GLU A 84 42.093 7.010 8.337 1.00 21.26 H new ATOM 0 HG3 GLU A 84 42.307 7.511 10.002 1.00 21.26 H new ATOM 1241 N ILE A 85 38.502 5.865 7.508 1.00 18.05 N ATOM 1242 CA ILE A 85 38.087 5.363 6.203 1.00 17.24 C ATOM 1243 C ILE A 85 37.575 6.503 5.328 1.00 15.64 C ATOM 1244 O ILE A 85 37.652 6.439 4.102 1.00 14.56 O ATOM 1245 CB ILE A 85 36.988 4.313 6.373 1.00 17.25 C ATOM 1246 CG1 ILE A 85 37.617 2.977 6.772 1.00 18.63 C ATOM 1247 CG2 ILE A 85 36.232 4.146 5.054 1.00 19.17 C ATOM 1248 CD1 ILE A 85 36.518 1.928 6.953 1.00 18.98 C ATOM 0 H ILE A 85 38.176 5.311 8.300 1.00 18.05 H new ATOM 0 HA ILE A 85 38.951 4.909 5.718 1.00 17.24 H new ATOM 0 HB ILE A 85 36.295 4.636 7.150 1.00 17.25 H new ATOM 0 HG12 ILE A 85 38.322 2.652 6.007 1.00 18.63 H new ATOM 0 HG13 ILE A 85 38.181 3.091 7.697 1.00 18.63 H new ATOM 0 HG21 ILE A 85 35.449 3.398 5.176 1.00 19.17 H new ATOM 0 HG22 ILE A 85 35.783 5.098 4.769 1.00 19.17 H new ATOM 0 HG23 ILE A 85 36.924 3.824 4.276 1.00 19.17 H new ATOM 0 HD11 ILE A 85 36.967 0.976 7.237 1.00 18.98 H new ATOM 0 HD12 ILE A 85 35.830 2.253 7.734 1.00 18.98 H new ATOM 0 HD13 ILE A 85 35.973 1.807 6.017 1.00 18.98 H new ATOM 1260 N ARG A 86 37.052 7.544 5.968 1.00 14.41 N ATOM 1261 CA ARG A 86 36.529 8.693 5.237 1.00 13.90 C ATOM 1262 C ARG A 86 37.656 9.655 4.875 1.00 12.70 C ATOM 1263 O ARG A 86 37.814 10.032 3.714 1.00 11.99 O ATOM 1264 CB ARG A 86 35.486 9.421 6.086 1.00 14.24 C ATOM 1265 CG ARG A 86 34.095 8.866 5.772 1.00 17.61 C ATOM 1266 CD ARG A 86 33.060 9.541 6.674 1.00 20.77 C ATOM 1267 NE ARG A 86 31.720 9.072 6.343 1.00 24.52 N ATOM 1268 CZ ARG A 86 30.648 9.814 6.605 1.00 25.58 C ATOM 1269 NH1 ARG A 86 29.459 9.372 6.299 1.00 26.77 N ATOM 1270 NH2 ARG A 86 30.786 10.983 7.168 1.00 26.85 N ATOM 0 H ARG A 86 36.979 7.616 6.983 1.00 14.41 H new ATOM 0 HA ARG A 86 36.063 8.335 4.319 1.00 13.90 H new ATOM 0 HB2 ARG A 86 35.710 9.293 7.145 1.00 14.24 H new ATOM 0 HB3 ARG A 86 35.517 10.491 5.881 1.00 14.24 H new ATOM 0 HG2 ARG A 86 33.850 9.042 4.725 1.00 17.61 H new ATOM 0 HG3 ARG A 86 34.079 7.787 5.926 1.00 17.61 H new ATOM 0 HD2 ARG A 86 33.281 9.324 7.719 1.00 20.77 H new ATOM 0 HD3 ARG A 86 33.114 10.623 6.555 1.00 20.77 H new ATOM 0 HE ARG A 86 31.603 8.159 5.903 1.00 24.52 H new ATOM 0 HH11 ARG A 86 29.352 8.458 5.859 1.00 26.77 H new ATOM 0 HH12 ARG A 86 28.636 9.941 6.500 1.00 26.77 H new ATOM 0 HH21 ARG A 86 31.716 11.327 7.407 1.00 26.85 H new ATOM 0 HH22 ARG A 86 29.964 11.552 7.369 1.00 26.85 H new ATOM 1284 N GLU A 87 38.436 10.050 5.877 1.00 11.87 N ATOM 1285 CA GLU A 87 39.545 10.969 5.652 1.00 11.27 C ATOM 1286 C GLU A 87 40.458 10.446 4.548 1.00 10.38 C ATOM 1287 O GLU A 87 40.935 11.211 3.709 1.00 9.38 O ATOM 1288 CB GLU A 87 40.348 11.144 6.945 1.00 11.16 C ATOM 1289 CG GLU A 87 40.388 12.624 7.331 1.00 12.67 C ATOM 1290 CD GLU A 87 39.064 13.032 7.970 1.00 13.78 C ATOM 1291 OE1 GLU A 87 38.761 12.521 9.036 1.00 15.83 O ATOM 1292 OE2 GLU A 87 38.374 13.849 7.384 1.00 16.48 O ATOM 0 H GLU A 87 38.322 9.750 6.845 1.00 11.87 H new ATOM 0 HA GLU A 87 39.139 11.933 5.344 1.00 11.27 H new ATOM 0 HB2 GLU A 87 39.895 10.561 7.747 1.00 11.16 H new ATOM 0 HB3 GLU A 87 41.361 10.766 6.809 1.00 11.16 H new ATOM 0 HG2 GLU A 87 41.208 12.805 8.026 1.00 12.67 H new ATOM 0 HG3 GLU A 87 40.578 13.234 6.448 1.00 12.67 H new ATOM 1299 N ALA A 88 40.698 9.139 4.554 1.00 9.34 N ATOM 1300 CA ALA A 88 41.556 8.524 3.548 1.00 9.01 C ATOM 1301 C ALA A 88 40.798 8.337 2.238 1.00 8.92 C ATOM 1302 O ALA A 88 41.329 8.597 1.159 1.00 8.79 O ATOM 1303 CB ALA A 88 42.058 7.169 4.048 1.00 9.91 C ATOM 0 H ALA A 88 40.313 8.489 5.239 1.00 9.34 H new ATOM 0 HA ALA A 88 42.406 9.183 3.371 1.00 9.01 H new ATOM 0 HB1 ALA A 88 42.698 6.716 3.291 1.00 9.91 H new ATOM 0 HB2 ALA A 88 42.626 7.308 4.968 1.00 9.91 H new ATOM 0 HB3 ALA A 88 41.208 6.515 4.243 1.00 9.91 H new ATOM 1309 N PHE A 89 39.553 7.883 2.341 1.00 7.54 N ATOM 1310 CA PHE A 89 38.730 7.664 1.158 1.00 7.23 C ATOM 1311 C PHE A 89 38.632 8.941 0.328 1.00 8.19 C ATOM 1312 O PHE A 89 38.604 8.892 -0.902 1.00 8.53 O ATOM 1313 CB PHE A 89 37.328 7.213 1.574 1.00 7.14 C ATOM 1314 CG PHE A 89 36.396 7.303 0.390 1.00 5.05 C ATOM 1315 CD1 PHE A 89 36.471 6.351 -0.634 1.00 4.80 C ATOM 1316 CD2 PHE A 89 35.457 8.339 0.317 1.00 5.56 C ATOM 1317 CE1 PHE A 89 35.605 6.435 -1.731 1.00 7.76 C ATOM 1318 CE2 PHE A 89 34.591 8.422 -0.781 1.00 2.16 C ATOM 1319 CZ PHE A 89 34.666 7.470 -1.804 1.00 6.19 C ATOM 0 H PHE A 89 39.095 7.661 3.225 1.00 7.54 H new ATOM 0 HA PHE A 89 39.197 6.887 0.552 1.00 7.23 H new ATOM 0 HB2 PHE A 89 37.360 6.190 1.948 1.00 7.14 H new ATOM 0 HB3 PHE A 89 36.960 7.838 2.388 1.00 7.14 H new ATOM 0 HD1 PHE A 89 37.196 5.553 -0.578 1.00 4.80 H new ATOM 0 HD2 PHE A 89 35.400 9.074 1.107 1.00 5.56 H new ATOM 0 HE1 PHE A 89 35.662 5.701 -2.521 1.00 7.76 H new ATOM 0 HE2 PHE A 89 33.866 9.220 -0.838 1.00 2.16 H new ATOM 0 HZ PHE A 89 33.999 7.534 -2.651 1.00 6.19 H new ATOM 1329 N ARG A 90 38.580 10.081 1.009 1.00 8.03 N ATOM 1330 CA ARG A 90 38.485 11.365 0.324 1.00 8.76 C ATOM 1331 C ARG A 90 39.861 11.819 -0.154 1.00 7.43 C ATOM 1332 O ARG A 90 40.012 12.296 -1.279 1.00 6.92 O ATOM 1333 CB ARG A 90 37.897 12.417 1.265 1.00 8.74 C ATOM 1334 CG ARG A 90 36.384 12.502 1.055 1.00 13.55 C ATOM 1335 CD ARG A 90 35.753 13.297 2.199 1.00 14.45 C ATOM 1336 NE ARG A 90 35.771 14.723 1.893 1.00 17.08 N ATOM 1337 CZ ARG A 90 35.783 15.633 2.861 1.00 17.02 C ATOM 1338 NH1 ARG A 90 35.799 16.903 2.563 1.00 17.58 N ATOM 1339 NH2 ARG A 90 35.777 15.257 4.111 1.00 17.03 N ATOM 0 H ARG A 90 38.602 10.142 2.027 1.00 8.03 H new ATOM 0 HA ARG A 90 37.832 11.247 -0.541 1.00 8.76 H new ATOM 0 HB2 ARG A 90 38.117 12.157 2.301 1.00 8.74 H new ATOM 0 HB3 ARG A 90 38.356 13.387 1.075 1.00 8.74 H new ATOM 0 HG2 ARG A 90 36.165 12.982 0.101 1.00 13.55 H new ATOM 0 HG3 ARG A 90 35.955 11.501 1.014 1.00 13.55 H new ATOM 0 HD2 ARG A 90 34.727 12.965 2.359 1.00 14.45 H new ATOM 0 HD3 ARG A 90 36.297 13.110 3.125 1.00 14.45 H new ATOM 0 HE ARG A 90 35.774 15.027 0.919 1.00 17.08 H new ATOM 0 HH11 ARG A 90 35.802 17.198 1.587 1.00 17.58 H new ATOM 0 HH12 ARG A 90 35.808 17.601 3.307 1.00 17.58 H new ATOM 0 HH21 ARG A 90 35.763 14.264 4.345 1.00 17.03 H new ATOM 0 HH22 ARG A 90 35.786 15.956 4.854 1.00 17.03 H new ATOM 1353 N VAL A 91 40.860 11.669 0.709 1.00 7.00 N ATOM 1354 CA VAL A 91 42.220 12.069 0.366 1.00 6.43 C ATOM 1355 C VAL A 91 42.627 11.488 -0.985 1.00 6.80 C ATOM 1356 O VAL A 91 43.594 11.938 -1.599 1.00 5.87 O ATOM 1357 CB VAL A 91 43.193 11.589 1.444 1.00 6.46 C ATOM 1358 CG1 VAL A 91 44.629 11.737 0.938 1.00 7.40 C ATOM 1359 CG2 VAL A 91 43.009 12.431 2.708 1.00 7.82 C ATOM 0 H VAL A 91 40.755 11.276 1.645 1.00 7.00 H new ATOM 0 HA VAL A 91 42.253 13.157 0.305 1.00 6.43 H new ATOM 0 HB VAL A 91 42.994 10.542 1.672 1.00 6.46 H new ATOM 0 HG11 VAL A 91 45.323 11.395 1.706 1.00 7.40 H new ATOM 0 HG12 VAL A 91 44.761 11.138 0.037 1.00 7.40 H new ATOM 0 HG13 VAL A 91 44.828 12.784 0.710 1.00 7.40 H new ATOM 0 HG21 VAL A 91 43.702 12.089 3.477 1.00 7.82 H new ATOM 0 HG22 VAL A 91 43.208 13.478 2.480 1.00 7.82 H new ATOM 0 HG23 VAL A 91 41.986 12.326 3.069 1.00 7.82 H new ATOM 1369 N PHE A 92 41.881 10.488 -1.442 0.50 6.77 N ATOM 1370 CA PHE A 92 42.173 9.854 -2.722 0.50 7.12 C ATOM 1371 C PHE A 92 41.346 10.490 -3.835 0.50 7.91 C ATOM 1372 O PHE A 92 41.839 10.707 -4.942 0.50 9.11 O ATOM 1373 CB PHE A 92 41.866 8.357 -2.647 0.50 7.14 C ATOM 1374 CG PHE A 92 43.079 7.620 -2.131 0.50 4.87 C ATOM 1375 CD1 PHE A 92 44.228 7.522 -2.924 0.50 6.96 C ATOM 1376 CD2 PHE A 92 43.053 7.034 -0.860 0.50 4.32 C ATOM 1377 CE1 PHE A 92 45.352 6.838 -2.446 0.50 5.48 C ATOM 1378 CE2 PHE A 92 44.178 6.350 -0.382 0.50 6.74 C ATOM 1379 CZ PHE A 92 45.327 6.252 -1.175 0.50 6.55 C ATOM 0 H PHE A 92 41.076 10.101 -0.949 0.50 6.77 H new ATOM 0 HA PHE A 92 43.231 9.996 -2.943 0.50 7.12 H new ATOM 0 HB2 PHE A 92 41.014 8.182 -1.990 0.50 7.14 H new ATOM 0 HB3 PHE A 92 41.591 7.981 -3.633 0.50 7.14 H new ATOM 0 HD1 PHE A 92 44.248 7.974 -3.905 0.50 6.96 H new ATOM 0 HD2 PHE A 92 42.166 7.109 -0.248 0.50 4.32 H new ATOM 0 HE1 PHE A 92 46.239 6.762 -3.058 0.50 5.48 H new ATOM 0 HE2 PHE A 92 44.159 5.898 0.599 0.50 6.74 H new ATOM 0 HZ PHE A 92 46.194 5.724 -0.806 0.50 6.55 H new ATOM 1389 N ASP A 93 40.087 10.786 -3.533 1.00 8.87 N ATOM 1390 CA ASP A 93 39.199 11.397 -4.515 1.00 8.42 C ATOM 1391 C ASP A 93 39.112 12.904 -4.295 1.00 8.51 C ATOM 1392 O ASP A 93 38.091 13.416 -3.839 1.00 8.68 O ATOM 1393 CB ASP A 93 37.802 10.783 -4.410 1.00 9.10 C ATOM 1394 CG ASP A 93 36.772 11.719 -5.033 1.00 10.79 C ATOM 1395 OD1 ASP A 93 36.980 12.126 -6.164 1.00 11.11 O ATOM 1396 OD2 ASP A 93 35.791 12.014 -4.371 1.00 7.32 O ATOM 0 H ASP A 93 39.660 10.614 -2.623 1.00 8.87 H new ATOM 0 HA ASP A 93 39.604 11.209 -5.509 1.00 8.42 H new ATOM 0 HB2 ASP A 93 37.781 9.818 -4.916 1.00 9.10 H new ATOM 0 HB3 ASP A 93 37.554 10.600 -3.364 1.00 9.10 H new ATOM 1401 N LYS A 94 40.194 13.607 -4.613 1.00 9.41 N ATOM 1402 CA LYS A 94 40.236 15.055 -4.440 1.00 9.18 C ATOM 1403 C LYS A 94 38.987 15.715 -5.020 1.00 9.05 C ATOM 1404 O LYS A 94 38.662 16.852 -4.678 1.00 7.14 O ATOM 1405 CB LYS A 94 41.479 15.625 -5.126 1.00 9.58 C ATOM 1406 CG LYS A 94 42.725 15.248 -4.322 1.00 10.67 C ATOM 1407 CD LYS A 94 43.966 15.829 -5.001 1.00 11.93 C ATOM 1408 CE LYS A 94 44.479 14.845 -6.054 1.00 14.25 C ATOM 1409 NZ LYS A 94 45.498 13.947 -5.441 1.00 14.57 N ATOM 0 H LYS A 94 41.050 13.200 -4.990 1.00 9.41 H new ATOM 0 HA LYS A 94 40.275 15.267 -3.371 1.00 9.18 H new ATOM 0 HB2 LYS A 94 41.557 15.236 -6.141 1.00 9.58 H new ATOM 0 HB3 LYS A 94 41.399 16.709 -5.205 1.00 9.58 H new ATOM 0 HG2 LYS A 94 42.643 15.629 -3.304 1.00 10.67 H new ATOM 0 HG3 LYS A 94 42.810 14.164 -4.251 1.00 10.67 H new ATOM 0 HD2 LYS A 94 43.725 16.784 -5.467 1.00 11.93 H new ATOM 0 HD3 LYS A 94 44.742 16.023 -4.260 1.00 11.93 H new ATOM 0 HE2 LYS A 94 43.652 14.256 -6.451 1.00 14.25 H new ATOM 0 HE3 LYS A 94 44.915 15.388 -6.893 1.00 14.25 H new ATOM 0 HZ1 LYS A 94 45.847 13.278 -6.157 1.00 14.57 H new ATOM 0 HZ2 LYS A 94 46.292 14.516 -5.083 1.00 14.57 H new ATOM 0 HZ3 LYS A 94 45.068 13.419 -4.655 1.00 14.57 H new ATOM 1423 N ASP A 95 38.291 15.001 -5.900 1.00 7.02 N ATOM 1424 CA ASP A 95 37.083 15.540 -6.519 1.00 7.13 C ATOM 1425 C ASP A 95 35.920 15.524 -5.532 1.00 6.43 C ATOM 1426 O ASP A 95 34.877 16.130 -5.776 1.00 4.43 O ATOM 1427 CB ASP A 95 36.718 14.715 -7.754 1.00 6.49 C ATOM 1428 CG ASP A 95 35.924 15.571 -8.736 1.00 8.86 C ATOM 1429 OD1 ASP A 95 35.637 15.085 -9.817 1.00 6.70 O ATOM 1430 OD2 ASP A 95 35.616 16.700 -8.392 1.00 10.20 O ATOM 0 H ASP A 95 38.539 14.058 -6.199 1.00 7.02 H new ATOM 0 HA ASP A 95 37.278 16.571 -6.814 1.00 7.13 H new ATOM 0 HB2 ASP A 95 37.623 14.342 -8.233 1.00 6.49 H new ATOM 0 HB3 ASP A 95 36.131 13.845 -7.460 1.00 6.49 H new ATOM 1435 N GLY A 96 36.108 14.826 -4.418 1.00 5.66 N ATOM 1436 CA GLY A 96 35.071 14.734 -3.398 1.00 5.97 C ATOM 1437 C GLY A 96 33.804 14.099 -3.962 1.00 6.08 C ATOM 1438 O GLY A 96 32.760 14.091 -3.310 1.00 6.24 O ATOM 0 H GLY A 96 36.965 14.318 -4.199 1.00 5.66 H new ATOM 0 HA2 GLY A 96 35.435 14.144 -2.557 1.00 5.97 H new ATOM 0 HA3 GLY A 96 34.844 15.729 -3.015 1.00 5.97 H new ATOM 1442 N ASN A 97 33.904 13.564 -5.175 1.00 6.39 N ATOM 1443 CA ASN A 97 32.758 12.926 -5.812 1.00 5.87 C ATOM 1444 C ASN A 97 32.539 11.531 -5.236 1.00 5.88 C ATOM 1445 O ASN A 97 31.543 10.873 -5.537 1.00 5.75 O ATOM 1446 CB ASN A 97 32.985 12.829 -7.322 1.00 5.90 C ATOM 1447 CG ASN A 97 34.113 11.847 -7.619 1.00 4.39 C ATOM 1448 OD1 ASN A 97 34.870 11.424 -6.644 1.00 7.56 O flip ATOM 1449 ND2 ASN A 97 34.310 11.455 -8.769 1.00 7.07 N flip ATOM 0 H ASN A 97 34.759 13.559 -5.732 1.00 6.39 H new ATOM 0 HA ASN A 97 31.872 13.531 -5.619 1.00 5.87 H new ATOM 0 HB2 ASN A 97 32.069 12.503 -7.815 1.00 5.90 H new ATOM 0 HB3 ASN A 97 33.232 13.811 -7.725 1.00 5.90 H new ATOM 0 HD21 ASN A 97 33.717 11.787 -9.530 1.00 7.07 H new ATOM 0 HD22 ASN A 97 35.066 10.798 -8.961 1.00 7.07 H new ATOM 1456 N GLY A 98 33.476 11.090 -4.403 1.00 6.14 N ATOM 1457 CA GLY A 98 33.379 9.773 -3.785 1.00 6.32 C ATOM 1458 C GLY A 98 33.673 8.670 -4.796 1.00 7.08 C ATOM 1459 O GLY A 98 33.146 7.563 -4.691 1.00 6.67 O ATOM 0 H GLY A 98 34.306 11.622 -4.142 1.00 6.14 H new ATOM 0 HA2 GLY A 98 34.081 9.705 -2.954 1.00 6.32 H new ATOM 0 HA3 GLY A 98 32.380 9.635 -3.371 1.00 6.32 H new ATOM 1463 N TYR A 99 34.517 8.979 -5.774 0.50 7.47 N ATOM 1464 CA TYR A 99 34.873 8.003 -6.797 0.50 7.60 C ATOM 1465 C TYR A 99 36.353 8.107 -7.149 0.50 7.45 C ATOM 1466 O TYR A 99 36.883 9.203 -7.331 0.50 7.71 O ATOM 1467 CB TYR A 99 34.031 8.234 -8.054 0.50 7.79 C ATOM 1468 CG TYR A 99 32.566 8.139 -7.704 0.50 7.27 C ATOM 1469 CD1 TYR A 99 31.979 6.888 -7.480 0.50 9.00 C ATOM 1470 CD2 TYR A 99 31.794 9.303 -7.603 0.50 6.58 C ATOM 1471 CE1 TYR A 99 30.620 6.800 -7.156 0.50 5.79 C ATOM 1472 CE2 TYR A 99 30.435 9.215 -7.278 0.50 6.90 C ATOM 1473 CZ TYR A 99 29.848 7.964 -7.055 0.50 6.97 C ATOM 1474 OH TYR A 99 28.508 7.877 -6.735 0.50 5.02 O ATOM 0 H TYR A 99 34.964 9.890 -5.880 0.50 7.47 H new ATOM 0 HA TYR A 99 34.675 7.006 -6.404 0.50 7.60 H new ATOM 0 HB2 TYR A 99 34.252 9.214 -8.477 0.50 7.79 H new ATOM 0 HB3 TYR A 99 34.283 7.494 -8.814 0.50 7.79 H new ATOM 0 HD1 TYR A 99 32.575 5.991 -7.557 0.50 9.00 H new ATOM 0 HD2 TYR A 99 32.247 10.268 -7.776 0.50 6.58 H new ATOM 0 HE1 TYR A 99 30.167 5.835 -6.984 0.50 5.79 H new ATOM 0 HE2 TYR A 99 29.839 10.113 -7.199 0.50 6.90 H new ATOM 0 HH TYR A 99 28.120 8.776 -6.705 0.50 5.02 H new ATOM 1484 N ILE A 100 37.015 6.958 -7.244 1.00 6.94 N ATOM 1485 CA ILE A 100 38.435 6.929 -7.577 1.00 6.30 C ATOM 1486 C ILE A 100 38.671 6.099 -8.834 1.00 6.51 C ATOM 1487 O ILE A 100 38.556 4.874 -8.811 1.00 6.57 O ATOM 1488 CB ILE A 100 39.232 6.337 -6.414 1.00 5.54 C ATOM 1489 CG1 ILE A 100 38.964 7.152 -5.146 1.00 9.03 C ATOM 1490 CG2 ILE A 100 40.726 6.383 -6.742 1.00 4.76 C ATOM 1491 CD1 ILE A 100 38.935 6.217 -3.935 1.00 9.29 C ATOM 0 H ILE A 100 36.594 6.041 -7.096 1.00 6.94 H new ATOM 0 HA ILE A 100 38.768 7.950 -7.761 1.00 6.30 H new ATOM 0 HB ILE A 100 38.927 5.303 -6.254 1.00 5.54 H new ATOM 0 HG12 ILE A 100 39.738 7.908 -5.017 1.00 9.03 H new ATOM 0 HG13 ILE A 100 38.014 7.680 -5.234 1.00 9.03 H new ATOM 0 HG21 ILE A 100 41.294 5.961 -5.913 1.00 4.76 H new ATOM 0 HG22 ILE A 100 40.918 5.804 -7.645 1.00 4.76 H new ATOM 0 HG23 ILE A 100 41.032 7.417 -6.902 1.00 4.76 H new ATOM 0 HD11 ILE A 100 38.744 6.797 -3.032 1.00 9.29 H new ATOM 0 HD12 ILE A 100 38.145 5.478 -4.065 1.00 9.29 H new ATOM 0 HD13 ILE A 100 39.895 5.709 -3.844 1.00 9.29 H new ATOM 1503 N SER A 101 39.000 6.774 -9.931 1.00 6.74 N ATOM 1504 CA SER A 101 39.247 6.084 -11.193 1.00 4.65 C ATOM 1505 C SER A 101 40.698 5.623 -11.280 1.00 3.97 C ATOM 1506 O SER A 101 41.591 6.232 -10.692 1.00 7.02 O ATOM 1507 CB SER A 101 38.935 7.015 -12.365 1.00 3.29 C ATOM 1508 OG SER A 101 38.747 6.240 -13.542 1.00 2.08 O ATOM 0 H SER A 101 39.101 7.788 -9.973 1.00 6.74 H new ATOM 0 HA SER A 101 38.598 5.209 -11.239 1.00 4.65 H new ATOM 0 HB2 SER A 101 38.039 7.598 -12.153 1.00 3.29 H new ATOM 0 HB3 SER A 101 39.750 7.724 -12.509 1.00 3.29 H new ATOM 0 HG SER A 101 38.545 6.833 -14.295 1.00 2.08 H new ATOM 1514 N ALA A 102 40.923 4.541 -12.020 1.00 4.02 N ATOM 1515 CA ALA A 102 42.269 4.003 -12.180 1.00 4.82 C ATOM 1516 C ALA A 102 43.261 5.120 -12.490 1.00 5.07 C ATOM 1517 O ALA A 102 44.444 5.020 -12.165 1.00 6.41 O ATOM 1518 CB ALA A 102 42.288 2.973 -13.311 1.00 4.55 C ATOM 0 H ALA A 102 40.196 4.023 -12.515 1.00 4.02 H new ATOM 0 HA ALA A 102 42.561 3.523 -11.246 1.00 4.82 H new ATOM 0 HB1 ALA A 102 43.297 2.576 -13.424 1.00 4.55 H new ATOM 0 HB2 ALA A 102 41.602 2.160 -13.074 1.00 4.55 H new ATOM 0 HB3 ALA A 102 41.979 3.449 -14.242 1.00 4.55 H new ATOM 1524 N ALA A 103 42.770 6.183 -13.119 1.00 4.46 N ATOM 1525 CA ALA A 103 43.623 7.313 -13.467 1.00 3.90 C ATOM 1526 C ALA A 103 44.089 8.041 -12.210 1.00 3.42 C ATOM 1527 O ALA A 103 45.236 8.478 -12.124 1.00 5.01 O ATOM 1528 CB ALA A 103 42.859 8.285 -14.368 1.00 4.16 C ATOM 0 H ALA A 103 41.794 6.285 -13.396 1.00 4.46 H new ATOM 0 HA ALA A 103 44.496 6.935 -13.998 1.00 3.90 H new ATOM 0 HB1 ALA A 103 43.503 9.127 -14.624 1.00 4.16 H new ATOM 0 HB2 ALA A 103 42.553 7.772 -15.280 1.00 4.16 H new ATOM 0 HB3 ALA A 103 41.976 8.650 -13.843 1.00 4.16 H new ATOM 1534 N GLU A 104 43.191 8.167 -11.239 1.00 2.38 N ATOM 1535 CA GLU A 104 43.522 8.844 -9.990 1.00 2.94 C ATOM 1536 C GLU A 104 44.395 7.953 -9.112 1.00 3.92 C ATOM 1537 O GLU A 104 45.437 8.384 -8.617 1.00 4.76 O ATOM 1538 CB GLU A 104 42.240 9.206 -9.237 1.00 4.89 C ATOM 1539 CG GLU A 104 41.919 10.686 -9.457 1.00 2.54 C ATOM 1540 CD GLU A 104 40.467 10.965 -9.086 1.00 5.28 C ATOM 1541 OE1 GLU A 104 39.600 10.292 -9.620 1.00 6.84 O ATOM 1542 OE2 GLU A 104 40.242 11.847 -8.274 1.00 5.84 O ATOM 0 H GLU A 104 42.236 7.813 -11.291 1.00 2.38 H new ATOM 0 HA GLU A 104 44.074 9.754 -10.227 1.00 2.94 H new ATOM 0 HB2 GLU A 104 41.413 8.588 -9.587 1.00 4.89 H new ATOM 0 HB3 GLU A 104 42.361 9.004 -8.173 1.00 4.89 H new ATOM 0 HG2 GLU A 104 42.583 11.304 -8.853 1.00 2.54 H new ATOM 0 HG3 GLU A 104 42.095 10.954 -10.499 1.00 2.54 H new ATOM 1549 N LEU A 105 43.964 6.711 -8.924 1.00 4.80 N ATOM 1550 CA LEU A 105 44.715 5.768 -8.103 1.00 3.86 C ATOM 1551 C LEU A 105 46.191 5.780 -8.487 1.00 4.38 C ATOM 1552 O LEU A 105 47.065 5.896 -7.628 1.00 3.99 O ATOM 1553 CB LEU A 105 44.152 4.357 -8.281 1.00 3.53 C ATOM 1554 CG LEU A 105 44.387 3.548 -7.004 1.00 4.12 C ATOM 1555 CD1 LEU A 105 45.863 3.634 -6.610 1.00 4.73 C ATOM 1556 CD2 LEU A 105 43.525 4.118 -5.875 1.00 4.99 C ATOM 0 H LEU A 105 43.105 6.335 -9.325 1.00 4.80 H new ATOM 0 HA LEU A 105 44.620 6.068 -7.060 1.00 3.86 H new ATOM 0 HB2 LEU A 105 43.086 4.405 -8.503 1.00 3.53 H new ATOM 0 HB3 LEU A 105 44.632 3.867 -9.128 1.00 3.53 H new ATOM 0 HG LEU A 105 44.117 2.506 -7.179 1.00 4.12 H new ATOM 0 HD11 LEU A 105 46.031 3.058 -5.700 1.00 4.73 H new ATOM 0 HD12 LEU A 105 46.478 3.230 -7.414 1.00 4.73 H new ATOM 0 HD13 LEU A 105 46.133 4.675 -6.435 1.00 4.73 H new ATOM 0 HD21 LEU A 105 43.691 3.543 -4.964 1.00 4.99 H new ATOM 0 HD22 LEU A 105 43.796 5.159 -5.701 1.00 4.99 H new ATOM 0 HD23 LEU A 105 42.473 4.059 -6.155 1.00 4.99 H new ATOM 1568 N ARG A 106 46.461 5.661 -9.783 1.00 3.11 N ATOM 1569 CA ARG A 106 47.836 5.660 -10.270 1.00 5.25 C ATOM 1570 C ARG A 106 48.486 7.021 -10.044 1.00 4.62 C ATOM 1571 O ARG A 106 49.668 7.108 -9.712 1.00 4.29 O ATOM 1572 CB ARG A 106 47.862 5.321 -11.762 1.00 5.02 C ATOM 1573 CG ARG A 106 49.285 5.483 -12.298 1.00 5.93 C ATOM 1574 CD ARG A 106 49.383 6.779 -13.105 1.00 8.89 C ATOM 1575 NE ARG A 106 48.427 6.760 -14.207 1.00 11.71 N ATOM 1576 CZ ARG A 106 48.401 7.734 -15.110 1.00 13.93 C ATOM 1577 NH1 ARG A 106 47.537 7.695 -16.087 1.00 15.02 N ATOM 1578 NH2 ARG A 106 49.241 8.729 -15.021 1.00 15.24 N ATOM 0 H ARG A 106 45.752 5.565 -10.510 1.00 3.11 H new ATOM 0 HA ARG A 106 48.396 4.906 -9.717 1.00 5.25 H new ATOM 0 HB2 ARG A 106 47.517 4.299 -11.919 1.00 5.02 H new ATOM 0 HB3 ARG A 106 47.181 5.975 -12.306 1.00 5.02 H new ATOM 0 HG2 ARG A 106 49.996 5.502 -11.472 1.00 5.93 H new ATOM 0 HG3 ARG A 106 49.548 4.631 -12.925 1.00 5.93 H new ATOM 0 HD2 ARG A 106 49.187 7.634 -12.458 1.00 8.89 H new ATOM 0 HD3 ARG A 106 50.394 6.899 -13.493 1.00 8.89 H new ATOM 0 HE ARG A 106 47.768 5.986 -14.285 1.00 11.71 H new ATOM 0 HH11 ARG A 106 46.882 6.917 -16.157 1.00 15.02 H new ATOM 0 HH12 ARG A 106 47.517 8.443 -16.780 1.00 15.02 H new ATOM 0 HH21 ARG A 106 49.917 8.759 -14.258 1.00 15.24 H new ATOM 0 HH22 ARG A 106 49.221 9.477 -15.714 1.00 15.24 H new ATOM 1592 N HIS A 107 47.705 8.081 -10.226 1.00 5.92 N ATOM 1593 CA HIS A 107 48.216 9.435 -10.040 1.00 8.12 C ATOM 1594 C HIS A 107 48.741 9.618 -8.619 1.00 8.85 C ATOM 1595 O HIS A 107 49.889 10.014 -8.418 1.00 9.30 O ATOM 1596 CB HIS A 107 47.107 10.453 -10.311 1.00 10.37 C ATOM 1597 CG HIS A 107 47.694 11.838 -10.338 1.00 10.94 C ATOM 1598 ND1 HIS A 107 47.015 12.938 -9.837 1.00 14.82 N ATOM 1599 CD2 HIS A 107 48.893 12.317 -10.803 1.00 14.65 C ATOM 1600 CE1 HIS A 107 47.804 14.014 -10.010 1.00 15.69 C ATOM 1601 NE2 HIS A 107 48.961 13.691 -10.595 1.00 15.65 N ATOM 0 H HIS A 107 46.724 8.030 -10.500 1.00 5.92 H new ATOM 0 HA HIS A 107 49.035 9.595 -10.742 1.00 8.12 H new ATOM 0 HB2 HIS A 107 46.622 10.234 -11.262 1.00 10.37 H new ATOM 0 HB3 HIS A 107 46.341 10.386 -9.539 1.00 10.37 H new ATOM 0 HD2 HIS A 107 49.666 11.718 -11.261 1.00 14.65 H new ATOM 0 HE1 HIS A 107 47.535 15.017 -9.712 1.00 15.69 H new ATOM 0 HE2 HIS A 107 49.729 14.317 -10.837 1.00 15.65 H new ATOM 1610 N VAL A 108 47.893 9.328 -7.638 1.00 9.44 N ATOM 1611 CA VAL A 108 48.283 9.465 -6.240 1.00 9.72 C ATOM 1612 C VAL A 108 49.452 8.541 -5.916 1.00 9.70 C ATOM 1613 O VAL A 108 50.385 8.927 -5.212 1.00 10.80 O ATOM 1614 CB VAL A 108 47.099 9.130 -5.332 1.00 9.77 C ATOM 1615 CG1 VAL A 108 47.600 8.878 -3.909 1.00 8.84 C ATOM 1616 CG2 VAL A 108 46.116 10.303 -5.324 1.00 12.28 C ATOM 0 H VAL A 108 46.938 8.999 -7.783 1.00 9.44 H new ATOM 0 HA VAL A 108 48.592 10.496 -6.069 1.00 9.72 H new ATOM 0 HB VAL A 108 46.599 8.236 -5.704 1.00 9.77 H new ATOM 0 HG11 VAL A 108 46.755 8.639 -3.263 1.00 8.84 H new ATOM 0 HG12 VAL A 108 48.301 8.044 -3.913 1.00 8.84 H new ATOM 0 HG13 VAL A 108 48.101 9.771 -3.536 1.00 8.84 H new ATOM 0 HG21 VAL A 108 45.271 10.066 -4.677 1.00 12.28 H new ATOM 0 HG22 VAL A 108 46.618 11.196 -4.952 1.00 12.28 H new ATOM 0 HG23 VAL A 108 45.757 10.484 -6.337 1.00 12.28 H new ATOM 1626 N MET A 109 49.394 7.318 -6.434 0.50 9.38 N ATOM 1627 CA MET A 109 50.454 6.346 -6.193 0.50 9.31 C ATOM 1628 C MET A 109 51.675 6.660 -7.050 0.50 9.50 C ATOM 1629 O MET A 109 52.778 6.191 -6.772 0.50 9.53 O ATOM 1630 CB MET A 109 49.952 4.936 -6.513 0.50 8.72 C ATOM 1631 CG MET A 109 49.298 4.332 -5.269 0.50 8.81 C ATOM 1632 SD MET A 109 48.782 2.634 -5.624 0.50 6.87 S ATOM 1633 CE MET A 109 49.433 1.878 -4.114 0.50 6.63 C ATOM 0 H MET A 109 48.630 6.979 -7.019 0.50 9.38 H new ATOM 0 HA MET A 109 50.739 6.401 -5.142 0.50 9.31 H new ATOM 0 HB2 MET A 109 49.235 4.971 -7.333 0.50 8.72 H new ATOM 0 HB3 MET A 109 50.781 4.309 -6.842 0.50 8.72 H new ATOM 0 HG2 MET A 109 49.999 4.344 -4.434 0.50 8.81 H new ATOM 0 HG3 MET A 109 48.437 4.930 -4.971 0.50 8.81 H new ATOM 0 HE1 MET A 109 49.222 0.809 -4.122 0.50 6.63 H new ATOM 0 HE2 MET A 109 50.511 2.035 -4.064 0.50 6.63 H new ATOM 0 HE3 MET A 109 48.959 2.335 -3.245 0.50 6.63 H new ATOM 1643 N THR A 110 51.470 7.456 -8.095 1.00 10.17 N ATOM 1644 CA THR A 110 52.562 7.826 -8.987 1.00 11.15 C ATOM 1645 C THR A 110 53.533 8.771 -8.285 1.00 11.87 C ATOM 1646 O THR A 110 54.741 8.535 -8.270 1.00 11.30 O ATOM 1647 CB THR A 110 52.006 8.503 -10.242 1.00 11.33 C ATOM 1648 OG1 THR A 110 51.381 7.528 -11.065 1.00 9.45 O ATOM 1649 CG2 THR A 110 53.146 9.170 -11.013 1.00 11.67 C ATOM 0 H THR A 110 50.564 7.854 -8.343 1.00 10.17 H new ATOM 0 HA THR A 110 53.096 6.919 -9.270 1.00 11.15 H new ATOM 0 HB THR A 110 51.276 9.259 -9.954 1.00 11.33 H new ATOM 0 HG1 THR A 110 50.644 7.109 -10.574 1.00 9.45 H new ATOM 0 HG21 THR A 110 52.748 9.652 -11.906 1.00 11.67 H new ATOM 0 HG22 THR A 110 53.625 9.918 -10.380 1.00 11.67 H new ATOM 0 HG23 THR A 110 53.879 8.417 -11.303 1.00 11.67 H new ATOM 1657 N ASN A 111 52.997 9.840 -7.706 1.00 13.42 N ATOM 1658 CA ASN A 111 53.826 10.813 -7.006 1.00 14.75 C ATOM 1659 C ASN A 111 54.421 10.201 -5.741 1.00 15.38 C ATOM 1660 O ASN A 111 55.399 10.709 -5.194 1.00 14.61 O ATOM 1661 CB ASN A 111 52.992 12.041 -6.636 1.00 15.43 C ATOM 1662 CG ASN A 111 53.907 13.230 -6.363 1.00 16.39 C ATOM 1663 OD1 ASN A 111 53.892 14.210 -7.109 1.00 19.90 O ATOM 1664 ND2 ASN A 111 54.707 13.203 -5.333 1.00 21.65 N ATOM 0 H ASN A 111 52.000 10.053 -7.707 1.00 13.42 H new ATOM 0 HA ASN A 111 54.638 11.111 -7.669 1.00 14.75 H new ATOM 0 HB2 ASN A 111 52.303 12.280 -7.446 1.00 15.43 H new ATOM 0 HB3 ASN A 111 52.387 11.828 -5.755 1.00 15.43 H new ATOM 0 HD21 ASN A 111 55.322 13.995 -5.144 1.00 21.65 H new ATOM 0 HD22 ASN A 111 54.718 12.390 -4.717 1.00 21.65 H new ATOM 1671 N LEU A 112 53.822 9.106 -5.283 1.00 15.51 N ATOM 1672 CA LEU A 112 54.301 8.432 -4.081 1.00 17.09 C ATOM 1673 C LEU A 112 55.805 8.192 -4.167 1.00 17.64 C ATOM 1674 O LEU A 112 56.502 8.187 -3.152 1.00 19.20 O ATOM 1675 CB LEU A 112 53.576 7.095 -3.909 1.00 17.55 C ATOM 1676 CG LEU A 112 52.992 7.005 -2.498 1.00 18.70 C ATOM 1677 CD1 LEU A 112 54.094 7.267 -1.470 1.00 19.41 C ATOM 1678 CD2 LEU A 112 51.887 8.052 -2.337 1.00 19.55 C ATOM 0 H LEU A 112 53.011 8.669 -5.721 1.00 15.51 H new ATOM 0 HA LEU A 112 54.095 9.069 -3.221 1.00 17.09 H new ATOM 0 HB2 LEU A 112 52.781 7.003 -4.649 1.00 17.55 H new ATOM 0 HB3 LEU A 112 54.268 6.270 -4.080 1.00 17.55 H new ATOM 0 HG LEU A 112 52.578 6.009 -2.340 1.00 18.70 H new ATOM 0 HD11 LEU A 112 53.677 7.203 -0.465 1.00 19.41 H new ATOM 0 HD12 LEU A 112 54.882 6.523 -1.584 1.00 19.41 H new ATOM 0 HD13 LEU A 112 54.509 8.262 -1.627 1.00 19.41 H new ATOM 0 HD21 LEU A 112 51.470 7.989 -1.332 1.00 19.55 H new ATOM 0 HD22 LEU A 112 52.303 9.047 -2.496 1.00 19.55 H new ATOM 0 HD23 LEU A 112 51.101 7.866 -3.069 1.00 19.55 H new ATOM 1690 N GLY A 113 56.299 7.991 -5.385 1.00 18.31 N ATOM 1691 CA GLY A 113 57.722 7.750 -5.591 1.00 18.73 C ATOM 1692 C GLY A 113 57.963 6.345 -6.133 1.00 19.38 C ATOM 1693 O GLY A 113 59.106 5.921 -6.301 1.00 19.66 O ATOM 0 H GLY A 113 55.740 7.990 -6.238 1.00 18.31 H new ATOM 0 HA2 GLY A 113 58.123 8.487 -6.288 1.00 18.73 H new ATOM 0 HA3 GLY A 113 58.257 7.878 -4.650 1.00 18.73 H new ATOM 1697 N GLU A 114 56.877 5.629 -6.407 1.00 20.03 N ATOM 1698 CA GLU A 114 56.981 4.272 -6.932 1.00 20.93 C ATOM 1699 C GLU A 114 56.213 4.148 -8.244 1.00 21.67 C ATOM 1700 O GLU A 114 55.029 4.478 -8.314 1.00 21.82 O ATOM 1701 CB GLU A 114 56.424 3.274 -5.916 1.00 21.58 C ATOM 1702 CG GLU A 114 57.000 1.884 -6.196 1.00 22.38 C ATOM 1703 CD GLU A 114 58.023 1.519 -5.126 1.00 22.95 C ATOM 1704 OE1 GLU A 114 58.718 2.411 -4.668 1.00 21.15 O ATOM 1705 OE2 GLU A 114 58.097 0.351 -4.779 1.00 25.55 O ATOM 0 H GLU A 114 55.922 5.962 -6.276 1.00 20.03 H new ATOM 0 HA GLU A 114 58.033 4.052 -7.116 1.00 20.93 H new ATOM 0 HB2 GLU A 114 56.680 3.588 -4.904 1.00 21.58 H new ATOM 0 HB3 GLU A 114 55.336 3.247 -5.976 1.00 21.58 H new ATOM 0 HG2 GLU A 114 56.198 1.145 -6.212 1.00 22.38 H new ATOM 0 HG3 GLU A 114 57.469 1.867 -7.180 1.00 22.38 H new ATOM 1712 N LYS A 115 56.893 3.671 -9.282 1.00 21.94 N ATOM 1713 CA LYS A 115 56.260 3.510 -10.586 1.00 21.97 C ATOM 1714 C LYS A 115 55.578 2.149 -10.686 1.00 21.51 C ATOM 1715 O LYS A 115 56.240 1.112 -10.713 1.00 21.04 O ATOM 1716 CB LYS A 115 57.307 3.640 -11.694 1.00 22.09 C ATOM 1717 CG LYS A 115 57.533 5.119 -12.012 1.00 22.07 C ATOM 1718 CD LYS A 115 58.756 5.266 -12.920 1.00 22.17 C ATOM 1719 CE LYS A 115 58.527 6.414 -13.904 1.00 22.19 C ATOM 1720 NZ LYS A 115 59.837 7.015 -14.280 1.00 23.26 N ATOM 0 H LYS A 115 57.873 3.392 -9.247 1.00 21.94 H new ATOM 0 HA LYS A 115 55.508 4.290 -10.703 1.00 21.97 H new ATOM 0 HB2 LYS A 115 58.243 3.177 -11.381 1.00 22.09 H new ATOM 0 HB3 LYS A 115 56.974 3.112 -12.587 1.00 22.09 H new ATOM 0 HG2 LYS A 115 56.652 5.535 -12.501 1.00 22.07 H new ATOM 0 HG3 LYS A 115 57.682 5.681 -11.090 1.00 22.07 H new ATOM 0 HD2 LYS A 115 59.646 5.459 -12.321 1.00 22.17 H new ATOM 0 HD3 LYS A 115 58.933 4.338 -13.463 1.00 22.17 H new ATOM 0 HE2 LYS A 115 58.014 6.048 -14.793 1.00 22.19 H new ATOM 0 HE3 LYS A 115 57.884 7.170 -13.454 1.00 22.19 H new ATOM 0 HZ1 LYS A 115 59.681 7.796 -14.949 1.00 23.26 H new ATOM 0 HZ2 LYS A 115 60.310 7.378 -13.428 1.00 23.26 H new ATOM 0 HZ3 LYS A 115 60.436 6.291 -14.726 1.00 23.26 H new ATOM 1734 N LEU A 116 54.250 2.161 -10.740 1.00 20.82 N ATOM 1735 CA LEU A 116 53.488 0.922 -10.837 1.00 20.59 C ATOM 1736 C LEU A 116 52.939 0.739 -12.248 1.00 20.06 C ATOM 1737 O LEU A 116 52.542 1.705 -12.900 1.00 20.89 O ATOM 1738 CB LEU A 116 52.330 0.941 -9.836 1.00 21.31 C ATOM 1739 CG LEU A 116 52.808 0.387 -8.493 1.00 21.00 C ATOM 1740 CD1 LEU A 116 51.982 1.005 -7.363 1.00 23.07 C ATOM 1741 CD2 LEU A 116 52.632 -1.133 -8.478 1.00 20.55 C ATOM 0 H LEU A 116 53.683 3.009 -10.718 1.00 20.82 H new ATOM 0 HA LEU A 116 54.154 0.090 -10.607 1.00 20.59 H new ATOM 0 HB2 LEU A 116 51.960 1.959 -9.711 1.00 21.31 H new ATOM 0 HB3 LEU A 116 51.500 0.344 -10.213 1.00 21.31 H new ATOM 0 HG LEU A 116 53.860 0.634 -8.352 1.00 21.00 H new ATOM 0 HD11 LEU A 116 52.322 0.610 -6.406 1.00 23.07 H new ATOM 0 HD12 LEU A 116 52.104 2.088 -7.373 1.00 23.07 H new ATOM 0 HD13 LEU A 116 50.930 0.757 -7.504 1.00 23.07 H new ATOM 0 HD21 LEU A 116 52.972 -1.529 -7.521 1.00 20.55 H new ATOM 0 HD22 LEU A 116 51.579 -1.379 -8.619 1.00 20.55 H new ATOM 0 HD23 LEU A 116 53.219 -1.575 -9.283 1.00 20.55 H new ATOM 1753 N THR A 117 52.920 -0.505 -12.714 1.00 19.20 N ATOM 1754 CA THR A 117 52.418 -0.803 -14.050 1.00 18.69 C ATOM 1755 C THR A 117 50.909 -0.590 -14.115 1.00 18.35 C ATOM 1756 O THR A 117 50.209 -0.729 -13.112 1.00 17.96 O ATOM 1757 CB THR A 117 52.748 -2.250 -14.422 1.00 18.94 C ATOM 1758 OG1 THR A 117 53.970 -2.629 -13.804 1.00 18.27 O ATOM 1759 CG2 THR A 117 52.883 -2.371 -15.941 1.00 19.41 C ATOM 0 H THR A 117 53.244 -1.318 -12.190 1.00 19.20 H new ATOM 0 HA THR A 117 52.900 -0.128 -14.757 1.00 18.69 H new ATOM 0 HB THR A 117 51.948 -2.905 -14.078 1.00 18.94 H new ATOM 0 HG1 THR A 117 54.182 -3.556 -14.040 1.00 18.27 H new ATOM 0 HG21 THR A 117 53.118 -3.402 -16.204 1.00 19.41 H new ATOM 0 HG22 THR A 117 51.945 -2.081 -16.414 1.00 19.41 H new ATOM 0 HG23 THR A 117 53.682 -1.717 -16.289 1.00 19.41 H new ATOM 1767 N ASP A 118 50.415 -0.252 -15.302 1.00 17.78 N ATOM 1768 CA ASP A 118 48.987 -0.022 -15.486 1.00 17.28 C ATOM 1769 C ASP A 118 48.227 -1.345 -15.481 1.00 16.94 C ATOM 1770 O ASP A 118 47.056 -1.397 -15.103 1.00 16.90 O ATOM 1771 CB ASP A 118 48.741 0.705 -16.809 1.00 17.45 C ATOM 1772 CG ASP A 118 49.286 2.127 -16.731 1.00 17.24 C ATOM 1773 OD1 ASP A 118 50.486 2.290 -16.879 1.00 16.95 O ATOM 1774 OD2 ASP A 118 48.495 3.033 -16.526 1.00 18.08 O ATOM 0 H ASP A 118 50.977 -0.132 -16.144 1.00 17.78 H new ATOM 0 HA ASP A 118 48.628 0.594 -14.662 1.00 17.28 H new ATOM 0 HB2 ASP A 118 49.223 0.166 -17.625 1.00 17.45 H new ATOM 0 HB3 ASP A 118 47.674 0.727 -17.028 1.00 17.45 H new ATOM 1779 N GLU A 119 48.900 -2.410 -15.903 1.00 16.47 N ATOM 1780 CA GLU A 119 48.277 -3.728 -15.943 1.00 16.08 C ATOM 1781 C GLU A 119 48.089 -4.274 -14.531 1.00 15.00 C ATOM 1782 O GLU A 119 47.176 -5.060 -14.276 1.00 14.51 O ATOM 1783 CB GLU A 119 49.146 -4.692 -16.753 1.00 16.34 C ATOM 1784 CG GLU A 119 49.794 -3.940 -17.917 1.00 17.65 C ATOM 1785 CD GLU A 119 50.307 -4.931 -18.957 1.00 18.58 C ATOM 1786 OE1 GLU A 119 51.198 -4.565 -19.706 1.00 18.43 O ATOM 1787 OE2 GLU A 119 49.802 -6.041 -18.988 1.00 20.16 O ATOM 0 H GLU A 119 49.869 -2.388 -16.220 1.00 16.47 H new ATOM 0 HA GLU A 119 47.300 -3.634 -16.417 1.00 16.08 H new ATOM 0 HB2 GLU A 119 49.915 -5.129 -16.115 1.00 16.34 H new ATOM 0 HB3 GLU A 119 48.540 -5.515 -17.131 1.00 16.34 H new ATOM 0 HG2 GLU A 119 49.070 -3.264 -18.372 1.00 17.65 H new ATOM 0 HG3 GLU A 119 50.617 -3.326 -17.551 1.00 17.65 H new ATOM 1794 N GLU A 120 48.958 -3.853 -13.618 1.00 14.19 N ATOM 1795 CA GLU A 120 48.877 -4.307 -12.234 1.00 13.46 C ATOM 1796 C GLU A 120 47.870 -3.469 -11.453 1.00 13.34 C ATOM 1797 O GLU A 120 47.206 -3.966 -10.544 1.00 13.03 O ATOM 1798 CB GLU A 120 50.252 -4.207 -11.571 1.00 13.02 C ATOM 1799 CG GLU A 120 50.212 -4.898 -10.206 1.00 11.76 C ATOM 1800 CD GLU A 120 51.555 -5.560 -9.918 1.00 11.68 C ATOM 1801 OE1 GLU A 120 51.559 -6.745 -9.627 1.00 7.04 O ATOM 1802 OE2 GLU A 120 52.560 -4.872 -9.993 1.00 10.77 O ATOM 0 H GLU A 120 49.721 -3.203 -13.809 1.00 14.19 H new ATOM 0 HA GLU A 120 48.547 -5.346 -12.230 1.00 13.46 H new ATOM 0 HB2 GLU A 120 51.007 -4.672 -12.204 1.00 13.02 H new ATOM 0 HB3 GLU A 120 50.535 -3.161 -11.453 1.00 13.02 H new ATOM 0 HG2 GLU A 120 49.981 -4.171 -9.428 1.00 11.76 H new ATOM 0 HG3 GLU A 120 49.418 -5.645 -10.190 1.00 11.76 H new ATOM 1809 N VAL A 121 47.763 -2.194 -11.815 1.00 13.10 N ATOM 1810 CA VAL A 121 46.833 -1.295 -11.140 1.00 12.97 C ATOM 1811 C VAL A 121 45.397 -1.600 -11.554 1.00 12.84 C ATOM 1812 O VAL A 121 44.517 -1.754 -10.708 1.00 13.10 O ATOM 1813 CB VAL A 121 47.168 0.157 -11.486 1.00 13.08 C ATOM 1814 CG1 VAL A 121 46.094 1.080 -10.907 1.00 12.21 C ATOM 1815 CG2 VAL A 121 48.529 0.521 -10.888 1.00 14.97 C ATOM 0 H VAL A 121 48.303 -1.763 -12.565 1.00 13.10 H new ATOM 0 HA VAL A 121 46.928 -1.444 -10.064 1.00 12.97 H new ATOM 0 HB VAL A 121 47.203 0.275 -12.569 1.00 13.08 H new ATOM 0 HG11 VAL A 121 46.332 2.115 -11.153 1.00 12.21 H new ATOM 0 HG12 VAL A 121 45.124 0.820 -11.331 1.00 12.21 H new ATOM 0 HG13 VAL A 121 46.060 0.964 -9.824 1.00 12.21 H new ATOM 0 HG21 VAL A 121 48.769 1.555 -11.134 1.00 14.97 H new ATOM 0 HG22 VAL A 121 48.494 0.404 -9.805 1.00 14.97 H new ATOM 0 HG23 VAL A 121 49.295 -0.137 -11.299 1.00 14.97 H new ATOM 1825 N ASP A 122 45.169 -1.687 -12.860 1.00 13.33 N ATOM 1826 CA ASP A 122 43.835 -1.974 -13.375 1.00 13.39 C ATOM 1827 C ASP A 122 43.414 -3.394 -13.009 1.00 12.24 C ATOM 1828 O ASP A 122 42.276 -3.628 -12.601 1.00 11.31 O ATOM 1829 CB ASP A 122 43.815 -1.810 -14.896 1.00 14.42 C ATOM 1830 CG ASP A 122 44.401 -3.051 -15.562 1.00 16.19 C ATOM 1831 OD1 ASP A 122 43.851 -3.477 -16.564 1.00 20.12 O ATOM 1832 OD2 ASP A 122 45.392 -3.556 -15.060 1.00 19.51 O ATOM 0 H ASP A 122 45.884 -1.564 -13.577 1.00 13.33 H new ATOM 0 HA ASP A 122 43.134 -1.271 -12.925 1.00 13.39 H new ATOM 0 HB2 ASP A 122 42.793 -1.651 -15.240 1.00 14.42 H new ATOM 0 HB3 ASP A 122 44.388 -0.928 -15.183 1.00 14.42 H new ATOM 1837 N GLU A 123 44.338 -4.337 -13.158 1.00 11.13 N ATOM 1838 CA GLU A 123 44.051 -5.731 -12.840 1.00 10.29 C ATOM 1839 C GLU A 123 43.351 -5.839 -11.489 1.00 8.90 C ATOM 1840 O GLU A 123 42.354 -6.547 -11.350 1.00 7.96 O ATOM 1841 CB GLU A 123 45.350 -6.538 -12.810 1.00 10.26 C ATOM 1842 CG GLU A 123 45.084 -7.912 -12.192 1.00 12.28 C ATOM 1843 CD GLU A 123 45.334 -7.864 -10.688 1.00 13.69 C ATOM 1844 OE1 GLU A 123 46.408 -7.436 -10.299 1.00 14.38 O ATOM 1845 OE2 GLU A 123 44.446 -8.255 -9.948 1.00 15.72 O ATOM 0 H GLU A 123 45.285 -4.164 -13.494 1.00 11.13 H new ATOM 0 HA GLU A 123 43.393 -6.132 -13.611 1.00 10.29 H new ATOM 0 HB2 GLU A 123 45.743 -6.652 -13.820 1.00 10.26 H new ATOM 0 HB3 GLU A 123 46.107 -6.008 -12.232 1.00 10.26 H new ATOM 0 HG2 GLU A 123 44.056 -8.216 -12.389 1.00 12.28 H new ATOM 0 HG3 GLU A 123 45.731 -8.659 -12.653 1.00 12.28 H new ATOM 1852 N MET A 124 43.881 -5.132 -10.496 0.50 8.41 N ATOM 1853 CA MET A 124 43.298 -5.156 -9.159 0.50 7.66 C ATOM 1854 C MET A 124 41.990 -4.372 -9.131 0.50 7.37 C ATOM 1855 O MET A 124 40.976 -4.856 -8.628 0.50 7.04 O ATOM 1856 CB MET A 124 44.279 -4.554 -8.151 0.50 7.67 C ATOM 1857 CG MET A 124 44.010 -5.139 -6.764 0.50 7.34 C ATOM 1858 SD MET A 124 45.149 -6.512 -6.457 0.50 9.25 S ATOM 1859 CE MET A 124 44.470 -7.018 -4.858 0.50 9.75 C ATOM 0 H MET A 124 44.706 -4.540 -10.590 0.50 8.41 H new ATOM 0 HA MET A 124 43.092 -6.192 -8.891 0.50 7.66 H new ATOM 0 HB2 MET A 124 45.304 -4.766 -8.454 0.50 7.67 H new ATOM 0 HB3 MET A 124 44.172 -3.470 -8.127 0.50 7.67 H new ATOM 0 HG2 MET A 124 44.137 -4.370 -6.002 0.50 7.34 H new ATOM 0 HG3 MET A 124 42.979 -5.486 -6.698 0.50 7.34 H new ATOM 0 HE1 MET A 124 45.034 -7.869 -4.476 0.50 9.75 H new ATOM 0 HE2 MET A 124 44.542 -6.189 -4.154 0.50 9.75 H new ATOM 0 HE3 MET A 124 43.424 -7.301 -4.980 0.50 9.75 H new ATOM 1869 N ILE A 125 42.021 -3.159 -9.673 1.00 7.50 N ATOM 1870 CA ILE A 125 40.831 -2.317 -9.704 1.00 8.03 C ATOM 1871 C ILE A 125 39.730 -2.975 -10.529 1.00 8.46 C ATOM 1872 O ILE A 125 38.642 -3.251 -10.023 1.00 9.97 O ATOM 1873 CB ILE A 125 41.173 -0.952 -10.303 1.00 9.03 C ATOM 1874 CG1 ILE A 125 42.134 -0.212 -9.369 1.00 8.72 C ATOM 1875 CG2 ILE A 125 39.893 -0.131 -10.469 1.00 8.18 C ATOM 1876 CD1 ILE A 125 42.435 1.175 -9.939 1.00 11.99 C ATOM 0 H ILE A 125 42.850 -2.740 -10.094 1.00 7.50 H new ATOM 0 HA ILE A 125 40.475 -2.186 -8.682 1.00 8.03 H new ATOM 0 HB ILE A 125 41.644 -1.091 -11.276 1.00 9.03 H new ATOM 0 HG12 ILE A 125 41.694 -0.121 -8.376 1.00 8.72 H new ATOM 0 HG13 ILE A 125 43.058 -0.779 -9.258 1.00 8.72 H new ATOM 0 HG21 ILE A 125 40.137 0.842 -10.896 1.00 8.18 H new ATOM 0 HG22 ILE A 125 39.207 -0.657 -11.133 1.00 8.18 H new ATOM 0 HG23 ILE A 125 39.421 0.008 -9.496 1.00 8.18 H new ATOM 0 HD11 ILE A 125 43.119 1.701 -9.273 1.00 11.99 H new ATOM 0 HD12 ILE A 125 42.893 1.073 -10.923 1.00 11.99 H new ATOM 0 HD13 ILE A 125 41.508 1.741 -10.027 1.00 11.99 H new ATOM 1888 N ARG A 126 40.020 -3.224 -11.802 1.00 10.35 N ATOM 1889 CA ARG A 126 39.046 -3.851 -12.688 1.00 12.29 C ATOM 1890 C ARG A 126 38.376 -5.034 -11.997 1.00 12.05 C ATOM 1891 O ARG A 126 37.210 -5.335 -12.250 1.00 12.18 O ATOM 1892 CB ARG A 126 39.735 -4.328 -13.968 1.00 13.33 C ATOM 1893 CG ARG A 126 38.683 -4.594 -15.047 1.00 16.87 C ATOM 1894 CD ARG A 126 38.032 -3.273 -15.461 1.00 19.79 C ATOM 1895 NE ARG A 126 37.630 -3.327 -16.862 1.00 23.64 N ATOM 1896 CZ ARG A 126 38.427 -2.875 -17.824 1.00 25.37 C ATOM 1897 NH1 ARG A 126 38.045 -2.934 -19.070 1.00 25.82 N ATOM 1898 NH2 ARG A 126 39.593 -2.372 -17.522 1.00 27.23 N ATOM 0 H ARG A 126 40.914 -3.003 -12.240 1.00 10.35 H new ATOM 0 HA ARG A 126 38.284 -3.113 -12.939 1.00 12.29 H new ATOM 0 HB2 ARG A 126 40.444 -3.575 -14.314 1.00 13.33 H new ATOM 0 HB3 ARG A 126 40.305 -5.236 -13.770 1.00 13.33 H new ATOM 0 HG2 ARG A 126 39.146 -5.070 -15.911 1.00 16.87 H new ATOM 0 HG3 ARG A 126 37.926 -5.282 -14.671 1.00 16.87 H new ATOM 0 HD2 ARG A 126 37.163 -3.075 -14.833 1.00 19.79 H new ATOM 0 HD3 ARG A 126 38.731 -2.451 -15.307 1.00 19.79 H new ATOM 0 HE ARG A 126 36.721 -3.719 -17.108 1.00 23.64 H new ATOM 0 HH11 ARG A 126 37.134 -3.327 -19.306 1.00 25.82 H new ATOM 0 HH12 ARG A 126 38.657 -2.587 -19.808 1.00 25.82 H new ATOM 0 HH21 ARG A 126 39.892 -2.326 -16.548 1.00 27.23 H new ATOM 0 HH22 ARG A 126 40.205 -2.025 -18.260 1.00 27.23 H new ATOM 1912 N GLU A 127 39.123 -5.703 -11.124 1.00 11.23 N ATOM 1913 CA GLU A 127 38.591 -6.852 -10.401 1.00 11.00 C ATOM 1914 C GLU A 127 37.831 -6.399 -9.159 1.00 10.05 C ATOM 1915 O GLU A 127 36.674 -6.769 -8.958 1.00 10.87 O ATOM 1916 CB GLU A 127 39.732 -7.785 -9.991 1.00 10.54 C ATOM 1917 CG GLU A 127 40.078 -8.713 -11.158 1.00 12.15 C ATOM 1918 CD GLU A 127 41.521 -9.189 -11.036 1.00 14.58 C ATOM 1919 OE1 GLU A 127 41.993 -9.305 -9.917 1.00 15.50 O ATOM 1920 OE2 GLU A 127 42.134 -9.429 -12.063 1.00 12.21 O ATOM 0 H GLU A 127 40.091 -5.471 -10.902 1.00 11.23 H new ATOM 0 HA GLU A 127 37.904 -7.385 -11.059 1.00 11.00 H new ATOM 0 HB2 GLU A 127 40.607 -7.202 -9.704 1.00 10.54 H new ATOM 0 HB3 GLU A 127 39.441 -8.372 -9.120 1.00 10.54 H new ATOM 0 HG2 GLU A 127 39.403 -9.569 -11.165 1.00 12.15 H new ATOM 0 HG3 GLU A 127 39.938 -8.189 -12.104 1.00 12.15 H new ATOM 1927 N ALA A 128 38.488 -5.597 -8.329 1.00 9.88 N ATOM 1928 CA ALA A 128 37.864 -5.099 -7.108 1.00 9.79 C ATOM 1929 C ALA A 128 36.652 -4.235 -7.441 1.00 9.77 C ATOM 1930 O ALA A 128 35.895 -3.843 -6.553 1.00 9.01 O ATOM 1931 CB ALA A 128 38.873 -4.279 -6.303 1.00 10.50 C ATOM 0 H ALA A 128 39.446 -5.279 -8.477 1.00 9.88 H new ATOM 0 HA ALA A 128 37.536 -5.953 -6.515 1.00 9.79 H new ATOM 0 HB1 ALA A 128 38.399 -3.911 -5.393 1.00 10.50 H new ATOM 0 HB2 ALA A 128 39.725 -4.906 -6.040 1.00 10.50 H new ATOM 0 HB3 ALA A 128 39.215 -3.434 -6.901 1.00 10.50 H new ATOM 1937 N ASP A 129 36.476 -3.941 -8.725 1.00 9.64 N ATOM 1938 CA ASP A 129 35.352 -3.122 -9.164 1.00 9.00 C ATOM 1939 C ASP A 129 34.153 -3.998 -9.510 1.00 8.76 C ATOM 1940 O ASP A 129 34.034 -4.489 -10.633 1.00 10.86 O ATOM 1941 CB ASP A 129 35.754 -2.296 -10.387 1.00 7.85 C ATOM 1942 CG ASP A 129 36.723 -1.193 -9.977 1.00 9.69 C ATOM 1943 OD1 ASP A 129 36.606 -0.101 -10.508 1.00 9.05 O ATOM 1944 OD2 ASP A 129 37.568 -1.457 -9.137 1.00 6.85 O ATOM 0 H ASP A 129 37.092 -4.255 -9.475 1.00 9.64 H new ATOM 0 HA ASP A 129 35.075 -2.453 -8.350 1.00 9.00 H new ATOM 0 HB2 ASP A 129 36.218 -2.940 -11.134 1.00 7.85 H new ATOM 0 HB3 ASP A 129 34.868 -1.860 -10.848 1.00 7.85 H new ATOM 1949 N ILE A 130 33.267 -4.191 -8.539 1.00 7.88 N ATOM 1950 CA ILE A 130 32.080 -5.012 -8.752 1.00 5.73 C ATOM 1951 C ILE A 130 31.370 -4.602 -10.038 1.00 5.05 C ATOM 1952 O ILE A 130 30.902 -5.450 -10.798 1.00 5.02 O ATOM 1953 CB ILE A 130 31.123 -4.863 -7.569 1.00 6.80 C ATOM 1954 CG1 ILE A 130 31.856 -5.221 -6.274 1.00 8.06 C ATOM 1955 CG2 ILE A 130 29.931 -5.804 -7.755 1.00 4.19 C ATOM 1956 CD1 ILE A 130 31.093 -4.646 -5.079 1.00 12.26 C ATOM 0 H ILE A 130 33.347 -3.793 -7.603 1.00 7.88 H new ATOM 0 HA ILE A 130 32.391 -6.053 -8.838 1.00 5.73 H new ATOM 0 HB ILE A 130 30.769 -3.834 -7.515 1.00 6.80 H new ATOM 0 HG12 ILE A 130 31.940 -6.304 -6.179 1.00 8.06 H new ATOM 0 HG13 ILE A 130 32.871 -4.824 -6.296 1.00 8.06 H new ATOM 0 HG21 ILE A 130 29.249 -5.698 -6.912 1.00 4.19 H new ATOM 0 HG22 ILE A 130 29.409 -5.552 -8.678 1.00 4.19 H new ATOM 0 HG23 ILE A 130 30.285 -6.834 -7.808 1.00 4.19 H new ATOM 0 HD11 ILE A 130 31.615 -4.901 -4.157 1.00 12.26 H new ATOM 0 HD12 ILE A 130 31.032 -3.562 -5.174 1.00 12.26 H new ATOM 0 HD13 ILE A 130 30.087 -5.065 -5.054 1.00 12.26 H new ATOM 1968 N ASP A 131 31.293 -3.296 -10.276 1.00 3.37 N ATOM 1969 CA ASP A 131 30.637 -2.785 -11.474 1.00 3.41 C ATOM 1970 C ASP A 131 31.623 -2.713 -12.635 1.00 3.42 C ATOM 1971 O ASP A 131 31.224 -2.626 -13.797 1.00 5.27 O ATOM 1972 CB ASP A 131 30.063 -1.394 -11.202 1.00 3.12 C ATOM 1973 CG ASP A 131 29.479 -1.337 -9.794 1.00 5.63 C ATOM 1974 OD1 ASP A 131 28.375 -1.822 -9.612 1.00 7.79 O ATOM 1975 OD2 ASP A 131 30.145 -0.809 -8.919 1.00 5.83 O ATOM 0 H ASP A 131 31.674 -2.577 -9.660 1.00 3.37 H new ATOM 0 HA ASP A 131 29.828 -3.465 -11.741 1.00 3.41 H new ATOM 0 HB2 ASP A 131 30.844 -0.642 -11.311 1.00 3.12 H new ATOM 0 HB3 ASP A 131 29.291 -1.161 -11.935 1.00 3.12 H new ATOM 1980 N GLY A 132 32.912 -2.752 -12.314 1.00 3.22 N ATOM 1981 CA GLY A 132 33.948 -2.691 -13.339 1.00 3.08 C ATOM 1982 C GLY A 132 33.799 -1.436 -14.192 1.00 3.63 C ATOM 1983 O GLY A 132 33.737 -1.511 -15.419 1.00 3.93 O ATOM 0 H GLY A 132 33.263 -2.825 -11.359 1.00 3.22 H new ATOM 0 HA2 GLY A 132 34.931 -2.701 -12.868 1.00 3.08 H new ATOM 0 HA3 GLY A 132 33.890 -3.575 -13.973 1.00 3.08 H new ATOM 1987 N ASP A 133 33.742 -0.282 -13.534 1.00 3.43 N ATOM 1988 CA ASP A 133 33.601 0.984 -14.243 1.00 4.62 C ATOM 1989 C ASP A 133 34.947 1.695 -14.345 1.00 4.97 C ATOM 1990 O ASP A 133 35.034 2.808 -14.862 1.00 5.60 O ATOM 1991 CB ASP A 133 32.601 1.883 -13.513 1.00 4.81 C ATOM 1992 CG ASP A 133 31.392 1.065 -13.071 1.00 6.31 C ATOM 1993 OD1 ASP A 133 31.357 -0.115 -13.375 1.00 9.56 O ATOM 1994 OD2 ASP A 133 30.520 1.632 -12.434 1.00 5.38 O ATOM 0 H ASP A 133 33.791 -0.198 -12.519 1.00 3.43 H new ATOM 0 HA ASP A 133 33.236 0.776 -15.249 1.00 4.62 H new ATOM 0 HB2 ASP A 133 33.077 2.342 -12.646 1.00 4.81 H new ATOM 0 HB3 ASP A 133 32.282 2.694 -14.168 1.00 4.81 H new ATOM 1999 N GLY A 134 35.993 1.044 -13.847 1.00 5.35 N ATOM 2000 CA GLY A 134 37.330 1.624 -13.887 1.00 5.78 C ATOM 2001 C GLY A 134 37.588 2.482 -12.654 1.00 6.89 C ATOM 2002 O GLY A 134 38.606 3.170 -12.566 1.00 7.32 O ATOM 0 H GLY A 134 35.942 0.122 -13.414 1.00 5.35 H new ATOM 0 HA2 GLY A 134 38.074 0.829 -13.944 1.00 5.78 H new ATOM 0 HA3 GLY A 134 37.441 2.230 -14.786 1.00 5.78 H new ATOM 2006 N GLN A 135 36.661 2.436 -11.703 1.00 8.76 N ATOM 2007 CA GLN A 135 36.798 3.215 -10.477 1.00 10.22 C ATOM 2008 C GLN A 135 36.206 2.458 -9.293 1.00 10.54 C ATOM 2009 O GLN A 135 35.459 1.495 -9.470 1.00 9.45 O ATOM 2010 CB GLN A 135 36.089 4.561 -10.631 1.00 11.41 C ATOM 2011 CG GLN A 135 35.902 4.874 -12.117 1.00 15.22 C ATOM 2012 CD GLN A 135 35.139 6.183 -12.282 1.00 14.99 C ATOM 2013 OE1 GLN A 135 35.742 7.257 -12.302 1.00 22.05 O ATOM 2014 NE2 GLN A 135 33.840 6.160 -12.402 1.00 21.85 N ATOM 0 H GLN A 135 35.813 1.872 -11.756 1.00 8.76 H new ATOM 0 HA GLN A 135 37.859 3.383 -10.292 1.00 10.22 H new ATOM 0 HB2 GLN A 135 35.121 4.533 -10.130 1.00 11.41 H new ATOM 0 HB3 GLN A 135 36.673 5.348 -10.154 1.00 11.41 H new ATOM 0 HG2 GLN A 135 36.873 4.945 -12.607 1.00 15.22 H new ATOM 0 HG3 GLN A 135 35.359 4.063 -12.602 1.00 15.22 H new ATOM 0 HE21 GLN A 135 33.342 5.270 -12.385 1.00 21.85 H new ATOM 0 HE22 GLN A 135 33.323 7.032 -12.513 1.00 21.85 H new ATOM 2023 N VAL A 136 36.544 2.898 -8.086 1.00 10.23 N ATOM 2024 CA VAL A 136 36.039 2.253 -6.880 1.00 8.85 C ATOM 2025 C VAL A 136 35.258 3.246 -6.025 1.00 7.34 C ATOM 2026 O VAL A 136 35.843 4.053 -5.303 1.00 7.03 O ATOM 2027 CB VAL A 136 37.202 1.683 -6.067 1.00 7.54 C ATOM 2028 CG1 VAL A 136 36.717 0.483 -5.252 1.00 8.16 C ATOM 2029 CG2 VAL A 136 38.316 1.236 -7.017 1.00 10.34 C ATOM 0 H VAL A 136 37.161 3.693 -7.917 1.00 10.23 H new ATOM 0 HA VAL A 136 35.371 1.444 -7.177 1.00 8.85 H new ATOM 0 HB VAL A 136 37.583 2.450 -5.392 1.00 7.54 H new ATOM 0 HG11 VAL A 136 37.547 0.077 -4.673 1.00 8.16 H new ATOM 0 HG12 VAL A 136 35.923 0.799 -4.576 1.00 8.16 H new ATOM 0 HG13 VAL A 136 36.336 -0.284 -5.926 1.00 8.16 H new ATOM 0 HG21 VAL A 136 39.146 0.829 -6.439 1.00 10.34 H new ATOM 0 HG22 VAL A 136 37.934 0.470 -7.691 1.00 10.34 H new ATOM 0 HG23 VAL A 136 38.663 2.090 -7.598 1.00 10.34 H new ATOM 2039 N ASN A 137 33.933 3.181 -6.115 1.00 6.53 N ATOM 2040 CA ASN A 137 33.081 4.080 -5.345 1.00 7.00 C ATOM 2041 C ASN A 137 33.158 3.751 -3.858 1.00 7.22 C ATOM 2042 O ASN A 137 33.645 2.688 -3.473 1.00 10.52 O ATOM 2043 CB ASN A 137 31.632 3.961 -5.822 1.00 6.31 C ATOM 2044 CG ASN A 137 31.099 2.563 -5.525 1.00 7.74 C ATOM 2045 OD1 ASN A 137 31.840 1.704 -5.047 1.00 12.02 O ATOM 2046 ND2 ASN A 137 29.850 2.283 -5.780 1.00 9.78 N ATOM 0 H ASN A 137 33.430 2.521 -6.708 1.00 6.53 H new ATOM 0 HA ASN A 137 33.431 5.101 -5.497 1.00 7.00 H new ATOM 0 HB2 ASN A 137 31.014 4.708 -5.324 1.00 6.31 H new ATOM 0 HB3 ASN A 137 31.575 4.161 -6.892 1.00 6.31 H new ATOM 0 HD21 ASN A 137 29.486 1.351 -5.583 1.00 9.78 H new ATOM 0 HD22 ASN A 137 29.238 2.996 -6.176 1.00 9.78 H new ATOM 2053 N TYR A 138 32.675 4.669 -3.028 0.50 8.14 N ATOM 2054 CA TYR A 138 32.694 4.465 -1.584 0.50 7.95 C ATOM 2055 C TYR A 138 32.018 3.147 -1.220 0.50 8.75 C ATOM 2056 O TYR A 138 32.420 2.473 -0.271 0.50 8.62 O ATOM 2057 CB TYR A 138 31.976 5.620 -0.883 0.50 7.85 C ATOM 2058 CG TYR A 138 31.839 5.310 0.588 0.50 6.95 C ATOM 2059 CD1 TYR A 138 32.792 5.787 1.496 0.50 6.52 C ATOM 2060 CD2 TYR A 138 30.759 4.545 1.044 0.50 5.59 C ATOM 2061 CE1 TYR A 138 32.665 5.500 2.860 0.50 7.79 C ATOM 2062 CE2 TYR A 138 30.632 4.257 2.409 0.50 5.99 C ATOM 2063 CZ TYR A 138 31.585 4.735 3.316 0.50 6.26 C ATOM 2064 OH TYR A 138 31.460 4.451 4.661 0.50 6.33 O ATOM 0 H TYR A 138 32.268 5.555 -3.327 0.50 8.14 H new ATOM 0 HA TYR A 138 33.733 4.431 -1.255 0.50 7.95 H new ATOM 0 HB2 TYR A 138 32.535 6.546 -1.020 0.50 7.85 H new ATOM 0 HB3 TYR A 138 30.992 5.773 -1.326 0.50 7.85 H new ATOM 0 HD1 TYR A 138 33.625 6.377 1.144 0.50 6.52 H new ATOM 0 HD2 TYR A 138 30.024 4.177 0.344 0.50 5.59 H new ATOM 0 HE1 TYR A 138 33.400 5.869 3.560 0.50 7.79 H new ATOM 0 HE2 TYR A 138 29.799 3.666 2.761 0.50 5.99 H new ATOM 0 HH TYR A 138 32.350 4.329 5.054 0.50 6.33 H new ATOM 2074 N GLU A 139 30.989 2.787 -1.980 1.00 9.07 N ATOM 2075 CA GLU A 139 30.263 1.547 -1.728 1.00 10.59 C ATOM 2076 C GLU A 139 31.188 0.344 -1.883 1.00 9.77 C ATOM 2077 O GLU A 139 31.111 -0.613 -1.113 1.00 11.13 O ATOM 2078 CB GLU A 139 29.091 1.421 -2.702 1.00 10.86 C ATOM 2079 CG GLU A 139 27.976 0.596 -2.056 1.00 14.67 C ATOM 2080 CD GLU A 139 27.058 0.026 -3.132 1.00 16.27 C ATOM 2081 OE1 GLU A 139 26.229 0.769 -3.631 1.00 22.33 O ATOM 2082 OE2 GLU A 139 27.198 -1.146 -3.442 1.00 20.01 O ATOM 0 H GLU A 139 30.641 3.331 -2.769 1.00 9.07 H new ATOM 0 HA GLU A 139 29.884 1.571 -0.706 1.00 10.59 H new ATOM 0 HB2 GLU A 139 28.718 2.410 -2.969 1.00 10.86 H new ATOM 0 HB3 GLU A 139 29.421 0.945 -3.625 1.00 10.86 H new ATOM 0 HG2 GLU A 139 28.406 -0.214 -1.467 1.00 14.67 H new ATOM 0 HG3 GLU A 139 27.402 1.219 -1.370 1.00 14.67 H new ATOM 2089 N GLU A 140 32.062 0.401 -2.882 1.00 10.22 N ATOM 2090 CA GLU A 140 32.998 -0.690 -3.128 1.00 8.98 C ATOM 2091 C GLU A 140 33.976 -0.830 -1.966 1.00 8.77 C ATOM 2092 O GLU A 140 34.323 -1.940 -1.564 1.00 8.82 O ATOM 2093 CB GLU A 140 33.773 -0.432 -4.422 1.00 9.71 C ATOM 2094 CG GLU A 140 32.995 -1.008 -5.607 1.00 8.70 C ATOM 2095 CD GLU A 140 33.391 -0.287 -6.891 1.00 9.57 C ATOM 2096 OE1 GLU A 140 34.471 -0.559 -7.390 1.00 13.45 O ATOM 2097 OE2 GLU A 140 32.609 0.526 -7.356 1.00 10.05 O ATOM 0 H GLU A 140 32.142 1.185 -3.530 1.00 10.22 H new ATOM 0 HA GLU A 140 32.430 -1.616 -3.223 1.00 8.98 H new ATOM 0 HB2 GLU A 140 33.926 0.638 -4.560 1.00 9.71 H new ATOM 0 HB3 GLU A 140 34.760 -0.890 -4.364 1.00 9.71 H new ATOM 0 HG2 GLU A 140 33.198 -2.075 -5.702 1.00 8.70 H new ATOM 0 HG3 GLU A 140 31.924 -0.901 -5.436 1.00 8.70 H new ATOM 2104 N PHE A 141 34.415 0.304 -1.429 1.00 7.84 N ATOM 2105 CA PHE A 141 35.353 0.295 -0.312 1.00 6.81 C ATOM 2106 C PHE A 141 34.857 -0.630 0.794 1.00 7.49 C ATOM 2107 O PHE A 141 35.526 -1.599 1.152 1.00 8.25 O ATOM 2108 CB PHE A 141 35.519 1.712 0.241 1.00 7.47 C ATOM 2109 CG PHE A 141 36.807 2.308 -0.275 1.00 5.76 C ATOM 2110 CD1 PHE A 141 37.163 2.149 -1.619 1.00 6.47 C ATOM 2111 CD2 PHE A 141 37.645 3.020 0.591 1.00 4.85 C ATOM 2112 CE1 PHE A 141 38.357 2.701 -2.098 1.00 2.00 C ATOM 2113 CE2 PHE A 141 38.839 3.572 0.113 1.00 4.27 C ATOM 2114 CZ PHE A 141 39.195 3.413 -1.232 1.00 2.00 C ATOM 0 H PHE A 141 34.139 1.233 -1.746 1.00 7.84 H new ATOM 0 HA PHE A 141 36.315 -0.069 -0.671 1.00 6.81 H new ATOM 0 HB2 PHE A 141 34.674 2.332 -0.059 1.00 7.47 H new ATOM 0 HB3 PHE A 141 35.527 1.690 1.331 1.00 7.47 H new ATOM 0 HD1 PHE A 141 36.516 1.600 -2.287 1.00 6.47 H new ATOM 0 HD2 PHE A 141 37.370 3.143 1.628 1.00 4.85 H new ATOM 0 HE1 PHE A 141 38.631 2.578 -3.135 1.00 2.00 H new ATOM 0 HE2 PHE A 141 39.486 4.121 0.782 1.00 4.27 H new ATOM 0 HZ PHE A 141 40.116 3.840 -1.601 1.00 2.00 H new ATOM 2124 N VAL A 142 33.680 -0.325 1.330 1.00 5.97 N ATOM 2125 CA VAL A 142 33.104 -1.138 2.394 1.00 6.53 C ATOM 2126 C VAL A 142 33.207 -2.620 2.049 1.00 5.16 C ATOM 2127 O VAL A 142 33.159 -3.478 2.930 1.00 5.28 O ATOM 2128 CB VAL A 142 31.637 -0.761 2.604 1.00 7.17 C ATOM 2129 CG1 VAL A 142 30.984 -1.762 3.558 1.00 10.15 C ATOM 2130 CG2 VAL A 142 31.554 0.644 3.205 1.00 7.96 C ATOM 0 H VAL A 142 33.110 0.473 1.048 1.00 5.97 H new ATOM 0 HA VAL A 142 33.661 -0.950 3.312 1.00 6.53 H new ATOM 0 HB VAL A 142 31.116 -0.779 1.647 1.00 7.17 H new ATOM 0 HG11 VAL A 142 29.938 -1.493 3.708 1.00 10.15 H new ATOM 0 HG12 VAL A 142 31.044 -2.763 3.131 1.00 10.15 H new ATOM 0 HG13 VAL A 142 31.504 -1.744 4.516 1.00 10.15 H new ATOM 0 HG21 VAL A 142 30.509 0.914 3.355 1.00 7.96 H new ATOM 0 HG22 VAL A 142 32.075 0.662 4.162 1.00 7.96 H new ATOM 0 HG23 VAL A 142 32.019 1.358 2.526 1.00 7.96 H new ATOM 2140 N GLN A 143 33.350 -2.913 0.760 0.50 5.93 N ATOM 2141 CA GLN A 143 33.461 -4.295 0.309 0.50 5.91 C ATOM 2142 C GLN A 143 34.708 -4.950 0.894 0.50 5.69 C ATOM 2143 O GLN A 143 34.624 -5.975 1.569 0.50 5.40 O ATOM 2144 CB GLN A 143 33.526 -4.343 -1.219 0.50 5.96 C ATOM 2145 CG GLN A 143 33.103 -5.731 -1.705 0.50 6.79 C ATOM 2146 CD GLN A 143 33.849 -6.083 -2.987 0.50 8.07 C ATOM 2147 OE1 GLN A 143 35.023 -5.743 -3.137 0.50 7.89 O ATOM 2148 NE2 GLN A 143 33.235 -6.750 -3.926 0.50 8.24 N ATOM 0 H GLN A 143 33.391 -2.218 0.015 0.50 5.93 H new ATOM 0 HA GLN A 143 32.582 -4.841 0.652 0.50 5.91 H new ATOM 0 HB2 GLN A 143 32.872 -3.582 -1.645 0.50 5.96 H new ATOM 0 HB3 GLN A 143 34.538 -4.120 -1.558 0.50 5.96 H new ATOM 0 HG2 GLN A 143 33.313 -6.474 -0.936 0.50 6.79 H new ATOM 0 HG3 GLN A 143 32.028 -5.751 -1.883 0.50 6.79 H new ATOM 0 HE21 GLN A 143 32.263 -7.031 -3.800 0.50 8.24 H new ATOM 0 HE22 GLN A 143 33.728 -6.991 -4.786 0.50 8.24 H new ATOM 2157 N MET A 144 35.864 -4.349 0.631 0.50 6.59 N ATOM 2158 CA MET A 144 37.122 -4.883 1.140 0.50 5.84 C ATOM 2159 C MET A 144 37.037 -5.106 2.646 0.50 6.04 C ATOM 2160 O MET A 144 37.837 -5.844 3.221 0.50 6.68 O ATOM 2161 CB MET A 144 38.265 -3.915 0.828 0.50 5.76 C ATOM 2162 CG MET A 144 39.601 -4.653 0.930 0.50 5.91 C ATOM 2163 SD MET A 144 40.942 -3.451 1.106 0.50 4.59 S ATOM 2164 CE MET A 144 40.392 -2.306 -0.182 0.50 2.00 C ATOM 0 H MET A 144 35.956 -3.500 0.074 0.50 6.59 H new ATOM 0 HA MET A 144 37.314 -5.839 0.653 0.50 5.84 H new ATOM 0 HB2 MET A 144 38.142 -3.501 -0.173 0.50 5.76 H new ATOM 0 HB3 MET A 144 38.246 -3.077 1.525 0.50 5.76 H new ATOM 0 HG2 MET A 144 39.590 -5.330 1.784 0.50 5.91 H new ATOM 0 HG3 MET A 144 39.760 -5.264 0.041 0.50 5.91 H new ATOM 0 HE1 MET A 144 41.237 -1.708 -0.522 0.50 2.00 H new ATOM 0 HE2 MET A 144 39.986 -2.870 -1.021 0.50 2.00 H new ATOM 0 HE3 MET A 144 39.621 -1.649 0.220 0.50 2.00 H new ATOM 2174 N MET A 145 36.062 -4.461 3.280 0.50 6.29 N ATOM 2175 CA MET A 145 35.881 -4.596 4.721 0.50 7.25 C ATOM 2176 C MET A 145 35.038 -5.825 5.044 0.50 7.30 C ATOM 2177 O MET A 145 35.000 -6.281 6.187 0.50 6.60 O ATOM 2178 CB MET A 145 35.199 -3.345 5.280 0.50 7.65 C ATOM 2179 CG MET A 145 36.247 -2.441 5.932 0.50 9.43 C ATOM 2180 SD MET A 145 35.500 -0.839 6.323 0.50 13.37 S ATOM 2181 CE MET A 145 35.130 -1.180 8.061 0.50 13.25 C ATOM 0 H MET A 145 35.390 -3.845 2.823 0.50 6.29 H new ATOM 0 HA MET A 145 36.862 -4.713 5.182 0.50 7.25 H new ATOM 0 HB2 MET A 145 34.687 -2.809 4.481 0.50 7.65 H new ATOM 0 HB3 MET A 145 34.441 -3.627 6.011 0.50 7.65 H new ATOM 0 HG2 MET A 145 36.631 -2.907 6.840 0.50 9.43 H new ATOM 0 HG3 MET A 145 37.095 -2.305 5.260 0.50 9.43 H new ATOM 0 HE1 MET A 145 34.655 -0.308 8.510 0.50 13.25 H new ATOM 0 HE2 MET A 145 34.457 -2.035 8.129 0.50 13.25 H new ATOM 0 HE3 MET A 145 36.055 -1.403 8.593 0.50 13.25 H new