USER MOD reduce.3.24.130724 H: found=0, std=0, add=979, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 974 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 119 ASN : amide:sc= -1.42 X(o=-4.3,f=-4.4) USER MOD Set 1.2: A 120 HIS : no HE2:sc= -2.88! C(o=-4.3!,f=-5.7!) USER MOD Set 2.1: A 9 GLN : amide:sc= -14.4! C(o=-18!,f=-16!) USER MOD Set 2.2: A 117 SER OG : rot -70:sc= -3.49! USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= -3.36! USER MOD Set 3.2: A 65 THR OG1 : rot -126:sc= -1.21! USER MOD Set 4.1: A 10 GLN : amide:sc= -6.01! C(o=-9.1!,f=-4.6!) USER MOD Set 4.2: A 14 ASN : amide:sc= -3.11! K(o=-9.1!,f=-2) USER MOD Single : A 1 CYS N :NH3+ -114:sc= -9.46! (180deg=-11.7!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.833 USER MOD Single : A 4 SER OG : rot 26:sc= 1.08 USER MOD Single : A 7 HIS : no HD1:sc= -5.38! C(o=-5.4!,f=-5.3!) USER MOD Single : A 21 THR OG1 : rot 126:sc= -6.44! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.58 USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= 0.127 (180deg=0) USER MOD Single : A 31 SER OG : rot 0:sc= -1.24! USER MOD Single : A 33 ASN : amide:sc= -0.187 K(o=-0.19,f=-0.79) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.69 K(o=-1.7,f=-11!) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= -17! (180deg=-19.6!) USER MOD Single : A 44 GLN : amide:sc= -14.8! C(o=-15!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.95! C(o=-3.9!,f=-7.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 160:sc= -3.81! (180deg=-6.49!) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= -0.109 (180deg=-0.665) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=0.000539 USER MOD Single : A 75 SER OG : rot 63:sc= 0.00559! USER MOD Single : A 81 LYS NZ :NH3+ -137:sc= -3.89! (180deg=-6.41!) USER MOD Single : A 82 LYS NZ :NH3+ -111:sc= 0.13 (180deg=-0.302) USER MOD Single : A 84 TYR OH : rot 130:sc= -7.09! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -133:sc= -9.85! (180deg=-18.1!) USER MOD Single : A 97 HIS : no HD1:sc= -0.564 X(o=-0.56,f=-0.11) USER MOD Single : A 99 THR OG1 : rot 128:sc= -1.82! USER MOD Single : A 109 THR OG1 : rot 91:sc= -2.77! USER MOD Single : A 111 SER OG : rot 88:sc= 1 USER MOD Single : A 112 THR OG1 : rot 85:sc= 1 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -5.07! K(o=-5.1!,f=-0.57) USER MOD Single : A 115 LYS NZ :NH3+ -160:sc= -1.34 (180deg=-1.88!) USER MOD Single : A 116 LYS NZ :NH3+ 168:sc= -0.195 (180deg=-0.416) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.6!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -7.638 -9.193 0.280 1.00 0.00 N ATOM 2 CA CYS A 1 -8.912 -9.611 0.837 1.00 0.00 C ATOM 3 C CYS A 1 -8.666 -10.809 1.757 1.00 0.00 C ATOM 4 O CYS A 1 -8.614 -11.949 1.297 1.00 0.00 O ATOM 5 CB CYS A 1 -9.931 -9.934 -0.259 1.00 0.00 C ATOM 6 SG CYS A 1 -10.652 -8.472 -1.090 1.00 0.00 S ATOM 0 H1 CYS A 1 -7.397 -8.246 0.637 1.00 0.00 H new ATOM 0 H2 CYS A 1 -6.898 -9.868 0.561 1.00 0.00 H new ATOM 0 H3 CYS A 1 -7.705 -9.165 -0.757 1.00 0.00 H new ATOM 0 HA CYS A 1 -9.344 -8.793 1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -9.450 -10.561 -1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -10.739 -10.522 0.177 1.00 0.00 H new ATOM 11 N SER A 2 -8.519 -10.509 3.040 1.00 0.00 N ATOM 12 CA SER A 2 -8.280 -11.546 4.028 1.00 0.00 C ATOM 13 C SER A 2 -7.054 -12.373 3.631 1.00 0.00 C ATOM 14 O SER A 2 -6.818 -13.445 4.187 1.00 0.00 O ATOM 15 CB SER A 2 -9.502 -12.453 4.185 1.00 0.00 C ATOM 16 OG SER A 2 -10.531 -12.126 3.254 1.00 0.00 O ATOM 0 H SER A 2 -8.561 -9.562 3.417 1.00 0.00 H new ATOM 0 HA SER A 2 -8.093 -11.065 4.988 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.203 -13.492 4.045 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.890 -12.367 5.200 1.00 0.00 H new ATOM 0 HG SER A 2 -11.293 -12.728 3.384 1.00 0.00 H new ATOM 22 N CYS A 3 -6.307 -11.844 2.673 1.00 0.00 N ATOM 23 CA CYS A 3 -5.114 -12.520 2.195 1.00 0.00 C ATOM 24 C CYS A 3 -4.104 -12.580 3.344 1.00 0.00 C ATOM 25 O CYS A 3 -4.263 -11.893 4.351 1.00 0.00 O ATOM 26 CB CYS A 3 -4.531 -11.833 0.959 1.00 0.00 C ATOM 27 SG CYS A 3 -3.887 -12.971 -0.320 1.00 0.00 S ATOM 0 H CYS A 3 -6.505 -10.954 2.215 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.368 -13.532 1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.302 -11.206 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.725 -11.171 1.275 1.00 0.00 H new ATOM 32 N SER A 4 -3.088 -13.408 3.153 1.00 0.00 N ATOM 33 CA SER A 4 -2.053 -13.567 4.160 1.00 0.00 C ATOM 34 C SER A 4 -0.817 -12.752 3.774 1.00 0.00 C ATOM 35 O SER A 4 -0.089 -13.119 2.853 1.00 0.00 O ATOM 36 CB SER A 4 -1.682 -15.040 4.341 1.00 0.00 C ATOM 37 OG SER A 4 -0.917 -15.537 3.245 1.00 0.00 O ATOM 0 H SER A 4 -2.959 -13.976 2.316 1.00 0.00 H new ATOM 0 HA SER A 4 -2.441 -13.199 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.114 -15.160 5.264 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.591 -15.632 4.447 1.00 0.00 H new ATOM 0 HG SER A 4 -0.441 -14.796 2.816 1.00 0.00 H new ATOM 43 N PRO A 5 -0.613 -11.631 4.517 1.00 0.00 N ATOM 44 CA PRO A 5 0.521 -10.760 4.262 1.00 0.00 C ATOM 45 C PRO A 5 1.819 -11.384 4.782 1.00 0.00 C ATOM 46 O PRO A 5 1.961 -11.619 5.981 1.00 0.00 O ATOM 47 CB PRO A 5 0.175 -9.450 4.950 1.00 0.00 C ATOM 48 CG PRO A 5 -0.920 -9.781 5.951 1.00 0.00 C ATOM 49 CD PRO A 5 -1.454 -11.165 5.616 1.00 0.00 C ATOM 0 HA PRO A 5 0.698 -10.601 3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.047 -9.029 5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.167 -8.708 4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.527 -9.759 6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.719 -9.041 5.902 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.389 -11.833 6.475 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.503 -11.124 5.322 1.00 0.00 H new ATOM 57 N VAL A 6 2.732 -11.631 3.855 1.00 0.00 N ATOM 58 CA VAL A 6 4.012 -12.223 4.205 1.00 0.00 C ATOM 59 C VAL A 6 5.107 -11.615 3.325 1.00 0.00 C ATOM 60 O VAL A 6 5.165 -10.399 3.151 1.00 0.00 O ATOM 61 CB VAL A 6 3.933 -13.747 4.094 1.00 0.00 C ATOM 62 CG1 VAL A 6 3.815 -14.185 2.633 1.00 0.00 C ATOM 63 CG2 VAL A 6 5.136 -14.409 4.768 1.00 0.00 C ATOM 0 H VAL A 6 2.611 -11.432 2.862 1.00 0.00 H new ATOM 0 HA VAL A 6 4.265 -12.000 5.241 1.00 0.00 H new ATOM 0 HB VAL A 6 3.034 -14.074 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.761 -15.272 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.913 -13.756 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.687 -13.839 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.055 -15.492 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.054 -14.071 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.157 -14.136 5.823 1.00 0.00 H new ATOM 73 N HIS A 7 5.947 -12.491 2.793 1.00 0.00 N ATOM 74 CA HIS A 7 7.036 -12.056 1.935 1.00 0.00 C ATOM 75 C HIS A 7 7.657 -10.777 2.503 1.00 0.00 C ATOM 76 O HIS A 7 7.145 -9.682 2.279 1.00 0.00 O ATOM 77 CB HIS A 7 6.559 -11.892 0.491 1.00 0.00 C ATOM 78 CG HIS A 7 5.095 -11.545 0.363 1.00 0.00 C ATOM 79 ND1 HIS A 7 4.165 -12.411 -0.182 1.00 0.00 N ATOM 80 CD2 HIS A 7 4.412 -10.418 0.717 1.00 0.00 C ATOM 81 CE1 HIS A 7 2.977 -11.822 -0.154 1.00 0.00 C ATOM 82 NE2 HIS A 7 3.134 -10.587 0.403 1.00 0.00 N ATOM 0 H HIS A 7 5.895 -13.499 2.939 1.00 0.00 H new ATOM 0 HA HIS A 7 7.814 -12.819 1.914 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.150 -11.112 0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 7 6.751 -12.818 -0.052 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.839 -9.538 1.175 1.00 0.00 H new ATOM 0 HE1 HIS A 7 2.049 -12.245 -0.509 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.391 -9.905 0.554 1.00 0.00 H new ATOM 90 N PRO A 8 8.782 -10.965 3.245 1.00 0.00 N ATOM 91 CA PRO A 8 9.478 -9.840 3.846 1.00 0.00 C ATOM 92 C PRO A 8 10.262 -9.055 2.794 1.00 0.00 C ATOM 93 O PRO A 8 10.434 -7.844 2.918 1.00 0.00 O ATOM 94 CB PRO A 8 10.368 -10.454 4.915 1.00 0.00 C ATOM 95 CG PRO A 8 10.486 -11.928 4.562 1.00 0.00 C ATOM 96 CD PRO A 8 9.417 -12.247 3.530 1.00 0.00 C ATOM 0 HA PRO A 8 8.798 -9.110 4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.348 -9.976 4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.935 -10.323 5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.477 -12.147 4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.355 -12.545 5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.853 -12.682 2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.697 -12.968 3.916 1.00 0.00 H new ATOM 104 N GLN A 9 10.717 -9.777 1.780 1.00 0.00 N ATOM 105 CA GLN A 9 11.479 -9.163 0.706 1.00 0.00 C ATOM 106 C GLN A 9 10.713 -9.265 -0.615 1.00 0.00 C ATOM 107 O GLN A 9 10.792 -8.369 -1.454 1.00 0.00 O ATOM 108 CB GLN A 9 12.867 -9.797 0.586 1.00 0.00 C ATOM 109 CG GLN A 9 13.582 -9.317 -0.678 1.00 0.00 C ATOM 110 CD GLN A 9 14.645 -8.268 -0.342 1.00 0.00 C ATOM 111 OE1 GLN A 9 15.705 -8.206 -0.943 1.00 0.00 O ATOM 112 NE2 GLN A 9 14.303 -7.450 0.650 1.00 0.00 N ATOM 0 H GLN A 9 10.572 -10.782 1.680 1.00 0.00 H new ATOM 0 HA GLN A 9 11.617 -8.108 0.942 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.463 -9.545 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 9 12.774 -10.883 0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 9 14.048 -10.164 -1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.856 -8.895 -1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.399 -7.557 1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 9 14.944 -6.716 0.950 1.00 0.00 H new ATOM 121 N GLN A 10 9.991 -10.367 -0.758 1.00 0.00 N ATOM 122 CA GLN A 10 9.211 -10.599 -1.962 1.00 0.00 C ATOM 123 C GLN A 10 8.150 -9.508 -2.127 1.00 0.00 C ATOM 124 O GLN A 10 7.534 -9.391 -3.185 1.00 0.00 O ATOM 125 CB GLN A 10 8.571 -11.988 -1.943 1.00 0.00 C ATOM 126 CG GLN A 10 7.102 -11.921 -2.367 1.00 0.00 C ATOM 127 CD GLN A 10 6.976 -11.784 -3.885 1.00 0.00 C ATOM 128 OE1 GLN A 10 7.944 -11.582 -4.598 1.00 0.00 O ATOM 129 NE2 GLN A 10 5.730 -11.905 -4.337 1.00 0.00 N ATOM 0 H GLN A 10 9.930 -11.109 -0.060 1.00 0.00 H new ATOM 0 HA GLN A 10 9.883 -10.557 -2.819 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.117 -12.653 -2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.645 -12.413 -0.942 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.582 -12.820 -2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.617 -11.075 -1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.965 -12.074 -3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.540 -11.829 -5.336 1.00 0.00 H new ATOM 138 N ALA A 11 7.970 -8.738 -1.064 1.00 0.00 N ATOM 139 CA ALA A 11 6.995 -7.661 -1.077 1.00 0.00 C ATOM 140 C ALA A 11 7.620 -6.421 -1.721 1.00 0.00 C ATOM 141 O ALA A 11 6.937 -5.665 -2.412 1.00 0.00 O ATOM 142 CB ALA A 11 6.510 -7.395 0.349 1.00 0.00 C ATOM 0 H ALA A 11 8.483 -8.839 -0.188 1.00 0.00 H new ATOM 0 HA ALA A 11 6.124 -7.938 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.778 -6.587 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.049 -8.297 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.356 -7.111 0.974 1.00 0.00 H new ATOM 148 N PHE A 12 8.910 -6.249 -1.472 1.00 0.00 N ATOM 149 CA PHE A 12 9.634 -5.114 -2.019 1.00 0.00 C ATOM 150 C PHE A 12 10.247 -5.459 -3.377 1.00 0.00 C ATOM 151 O PHE A 12 10.964 -4.648 -3.962 1.00 0.00 O ATOM 152 CB PHE A 12 10.757 -4.784 -1.034 1.00 0.00 C ATOM 153 CG PHE A 12 10.265 -4.294 0.329 1.00 0.00 C ATOM 154 CD1 PHE A 12 9.326 -5.005 1.009 1.00 0.00 C ATOM 155 CD2 PHE A 12 10.767 -3.148 0.862 1.00 0.00 C ATOM 156 CE1 PHE A 12 8.869 -4.551 2.274 1.00 0.00 C ATOM 157 CE2 PHE A 12 10.311 -2.693 2.127 1.00 0.00 C ATOM 158 CZ PHE A 12 9.371 -3.405 2.807 1.00 0.00 C ATOM 0 H PHE A 12 9.473 -6.877 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 12 8.956 -4.272 -2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.372 -5.672 -0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.399 -4.020 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.928 -5.916 0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.513 -2.584 0.322 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.123 -5.116 2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.710 -1.783 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.024 -3.060 3.770 1.00 0.00 H new ATOM 168 N CYS A 13 9.942 -6.662 -3.841 1.00 0.00 N ATOM 169 CA CYS A 13 10.455 -7.123 -5.120 1.00 0.00 C ATOM 170 C CYS A 13 9.278 -7.262 -6.088 1.00 0.00 C ATOM 171 O CYS A 13 9.475 -7.431 -7.290 1.00 0.00 O ATOM 172 CB CYS A 13 11.234 -8.432 -4.978 1.00 0.00 C ATOM 173 SG CYS A 13 13.003 -8.230 -4.553 1.00 0.00 S ATOM 0 H CYS A 13 9.346 -7.331 -3.354 1.00 0.00 H new ATOM 0 HA CYS A 13 11.164 -6.395 -5.514 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.757 -9.041 -4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 13 11.161 -8.986 -5.914 1.00 0.00 H new ATOM 178 N ASN A 14 8.080 -7.184 -5.527 1.00 0.00 N ATOM 179 CA ASN A 14 6.871 -7.299 -6.325 1.00 0.00 C ATOM 180 C ASN A 14 6.287 -5.904 -6.561 1.00 0.00 C ATOM 181 O ASN A 14 5.817 -5.602 -7.656 1.00 0.00 O ATOM 182 CB ASN A 14 5.815 -8.139 -5.606 1.00 0.00 C ATOM 183 CG ASN A 14 5.274 -9.241 -6.521 1.00 0.00 C ATOM 184 OD1 ASN A 14 4.255 -9.096 -7.175 1.00 0.00 O ATOM 185 ND2 ASN A 14 6.013 -10.347 -6.530 1.00 0.00 N ATOM 0 H ASN A 14 7.921 -7.043 -4.529 1.00 0.00 H new ATOM 0 HA ASN A 14 7.133 -7.780 -7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.248 -8.585 -4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.996 -7.498 -5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.737 -11.140 -7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.856 -10.402 -5.958 1.00 0.00 H new ATOM 192 N ALA A 15 6.334 -5.094 -5.514 1.00 0.00 N ATOM 193 CA ALA A 15 5.815 -3.738 -5.592 1.00 0.00 C ATOM 194 C ALA A 15 6.464 -3.017 -6.776 1.00 0.00 C ATOM 195 O ALA A 15 7.391 -3.539 -7.393 1.00 0.00 O ATOM 196 CB ALA A 15 6.061 -3.019 -4.265 1.00 0.00 C ATOM 0 H ALA A 15 6.723 -5.350 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 15 4.738 -3.748 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.672 -2.003 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.556 -3.555 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.131 -2.986 -4.062 1.00 0.00 H new ATOM 202 N ASP A 16 5.949 -1.828 -7.056 1.00 0.00 N ATOM 203 CA ASP A 16 6.467 -1.030 -8.155 1.00 0.00 C ATOM 204 C ASP A 16 6.242 0.452 -7.852 1.00 0.00 C ATOM 205 O ASP A 16 6.320 1.292 -8.747 1.00 0.00 O ATOM 206 CB ASP A 16 5.744 -1.359 -9.463 1.00 0.00 C ATOM 207 CG ASP A 16 6.417 -2.433 -10.321 1.00 0.00 C ATOM 208 OD1 ASP A 16 6.760 -3.487 -9.743 1.00 0.00 O ATOM 209 OD2 ASP A 16 6.574 -2.175 -11.534 1.00 0.00 O ATOM 0 H ASP A 16 5.180 -1.399 -6.542 1.00 0.00 H new ATOM 0 HA ASP A 16 7.528 -1.253 -8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.731 -1.685 -9.229 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.657 -0.446 -10.052 1.00 0.00 H new ATOM 214 N VAL A 17 5.968 0.730 -6.585 1.00 0.00 N ATOM 215 CA VAL A 17 5.732 2.097 -6.152 1.00 0.00 C ATOM 216 C VAL A 17 5.790 2.160 -4.624 1.00 0.00 C ATOM 217 O VAL A 17 4.758 2.106 -3.958 1.00 0.00 O ATOM 218 CB VAL A 17 4.407 2.604 -6.722 1.00 0.00 C ATOM 219 CG1 VAL A 17 3.258 1.659 -6.365 1.00 0.00 C ATOM 220 CG2 VAL A 17 4.114 4.028 -6.244 1.00 0.00 C ATOM 0 H VAL A 17 5.904 0.031 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 17 6.509 2.759 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 17 4.497 2.626 -7.808 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.328 2.043 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.459 0.670 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.168 1.589 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.166 4.365 -6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.054 4.041 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.913 4.693 -6.572 1.00 0.00 H new ATOM 230 N VAL A 18 7.008 2.275 -4.115 1.00 0.00 N ATOM 231 CA VAL A 18 7.213 2.347 -2.678 1.00 0.00 C ATOM 232 C VAL A 18 7.340 3.813 -2.258 1.00 0.00 C ATOM 233 O VAL A 18 8.260 4.507 -2.685 1.00 0.00 O ATOM 234 CB VAL A 18 8.427 1.504 -2.280 1.00 0.00 C ATOM 235 CG1 VAL A 18 8.237 0.889 -0.892 1.00 0.00 C ATOM 236 CG2 VAL A 18 8.711 0.424 -3.326 1.00 0.00 C ATOM 0 H VAL A 18 7.862 2.320 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 18 6.356 1.930 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 18 9.294 2.164 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.114 0.295 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.107 1.683 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.354 0.250 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.578 -0.161 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.845 -0.232 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.912 0.894 -4.289 1.00 0.00 H new ATOM 246 N ILE A 19 6.400 4.240 -1.427 1.00 0.00 N ATOM 247 CA ILE A 19 6.394 5.610 -0.944 1.00 0.00 C ATOM 248 C ILE A 19 5.960 5.628 0.523 1.00 0.00 C ATOM 249 O ILE A 19 4.915 5.082 0.872 1.00 0.00 O ATOM 250 CB ILE A 19 5.534 6.494 -1.850 1.00 0.00 C ATOM 251 CG1 ILE A 19 4.045 6.215 -1.635 1.00 0.00 C ATOM 252 CG2 ILE A 19 5.940 6.334 -3.317 1.00 0.00 C ATOM 253 CD1 ILE A 19 3.239 6.536 -2.895 1.00 0.00 C ATOM 0 H ILE A 19 5.637 3.661 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 19 7.398 6.032 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 19 5.710 7.535 -1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.903 5.169 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.676 6.812 -0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.314 6.973 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.985 6.620 -3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.811 5.295 -3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.184 6.329 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.364 7.589 -3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.594 5.919 -3.721 1.00 0.00 H new ATOM 265 N ARG A 20 6.786 6.261 1.343 1.00 0.00 N ATOM 266 CA ARG A 20 6.501 6.357 2.765 1.00 0.00 C ATOM 267 C ARG A 20 5.475 7.461 3.027 1.00 0.00 C ATOM 268 O ARG A 20 5.593 8.205 3.999 1.00 0.00 O ATOM 269 CB ARG A 20 7.772 6.653 3.563 1.00 0.00 C ATOM 270 CG ARG A 20 8.972 5.901 2.982 1.00 0.00 C ATOM 271 CD ARG A 20 10.103 5.797 4.007 1.00 0.00 C ATOM 272 NE ARG A 20 10.183 7.045 4.799 1.00 0.00 N ATOM 273 CZ ARG A 20 11.305 7.500 5.372 1.00 0.00 C ATOM 274 NH1 ARG A 20 12.449 6.814 5.244 1.00 0.00 N ATOM 275 NH2 ARG A 20 11.284 8.642 6.073 1.00 0.00 N ATOM 0 H ARG A 20 7.653 6.712 1.050 1.00 0.00 H new ATOM 0 HA ARG A 20 6.098 5.397 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.970 7.725 3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.627 6.365 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.664 4.902 2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.331 6.415 2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.930 4.948 4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.050 5.617 3.499 1.00 0.00 H new ATOM 0 HE ARG A 20 9.330 7.593 4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.466 5.945 4.710 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.303 7.161 5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.414 9.165 6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.138 8.988 6.509 1.00 0.00 H new ATOM 289 N THR A 21 4.491 7.532 2.143 1.00 0.00 N ATOM 290 CA THR A 21 3.444 8.532 2.266 1.00 0.00 C ATOM 291 C THR A 21 2.692 8.357 3.588 1.00 0.00 C ATOM 292 O THR A 21 2.957 7.419 4.336 1.00 0.00 O ATOM 293 CB THR A 21 2.541 8.427 1.035 1.00 0.00 C ATOM 294 OG1 THR A 21 1.439 9.277 1.339 1.00 0.00 O ATOM 295 CG2 THR A 21 1.912 7.040 0.888 1.00 0.00 C ATOM 0 H THR A 21 4.397 6.913 1.338 1.00 0.00 H new ATOM 0 HA THR A 21 3.861 9.539 2.296 1.00 0.00 H new ATOM 0 HB THR A 21 3.118 8.661 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.321 9.930 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.281 7.019 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.699 6.292 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.307 6.820 1.768 1.00 0.00 H new ATOM 303 N LYS A 22 1.771 9.277 3.833 1.00 0.00 N ATOM 304 CA LYS A 22 0.978 9.236 5.051 1.00 0.00 C ATOM 305 C LYS A 22 -0.505 9.331 4.692 1.00 0.00 C ATOM 306 O LYS A 22 -0.943 10.313 4.097 1.00 0.00 O ATOM 307 CB LYS A 22 1.445 10.316 6.029 1.00 0.00 C ATOM 308 CG LYS A 22 1.149 11.715 5.484 1.00 0.00 C ATOM 309 CD LYS A 22 1.363 12.779 6.562 1.00 0.00 C ATOM 310 CE LYS A 22 0.734 12.351 7.888 1.00 0.00 C ATOM 311 NZ LYS A 22 0.584 13.516 8.791 1.00 0.00 N ATOM 0 H LYS A 22 1.556 10.055 3.210 1.00 0.00 H new ATOM 0 HA LYS A 22 1.120 8.287 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.946 10.183 6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.515 10.211 6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.795 11.921 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.121 11.759 5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.430 12.951 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.927 13.724 6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.240 11.897 7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.355 11.592 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.155 13.208 9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.518 13.932 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.027 14.227 8.341 1.00 0.00 H new ATOM 325 N ALA A 23 -1.240 8.295 5.071 1.00 0.00 N ATOM 326 CA ALA A 23 -2.666 8.249 4.797 1.00 0.00 C ATOM 327 C ALA A 23 -3.433 8.778 6.011 1.00 0.00 C ATOM 328 O ALA A 23 -3.499 8.115 7.045 1.00 0.00 O ATOM 329 CB ALA A 23 -3.070 6.819 4.431 1.00 0.00 C ATOM 0 H ALA A 23 -0.874 7.481 5.566 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.913 8.886 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.140 6.784 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.520 6.501 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.838 6.152 5.261 1.00 0.00 H new ATOM 335 N VAL A 24 -3.990 9.968 5.846 1.00 0.00 N ATOM 336 CA VAL A 24 -4.749 10.593 6.916 1.00 0.00 C ATOM 337 C VAL A 24 -6.227 10.646 6.524 1.00 0.00 C ATOM 338 O VAL A 24 -7.103 10.459 7.368 1.00 0.00 O ATOM 339 CB VAL A 24 -4.165 11.972 7.234 1.00 0.00 C ATOM 340 CG1 VAL A 24 -2.927 11.850 8.126 1.00 0.00 C ATOM 341 CG2 VAL A 24 -3.844 12.741 5.951 1.00 0.00 C ATOM 0 H VAL A 24 -3.931 10.516 4.988 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.677 10.004 7.830 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.919 12.537 7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.531 12.843 8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.199 11.361 9.062 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.167 11.258 7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.431 13.717 6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.117 12.181 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.756 12.874 5.369 1.00 0.00 H new ATOM 351 N SER A 25 -6.459 10.901 5.245 1.00 0.00 N ATOM 352 CA SER A 25 -7.816 10.981 4.732 1.00 0.00 C ATOM 353 C SER A 25 -8.086 9.810 3.785 1.00 0.00 C ATOM 354 O SER A 25 -7.155 9.144 3.334 1.00 0.00 O ATOM 355 CB SER A 25 -8.056 12.311 4.014 1.00 0.00 C ATOM 356 OG SER A 25 -9.162 12.242 3.118 1.00 0.00 O ATOM 0 H SER A 25 -5.730 11.055 4.548 1.00 0.00 H new ATOM 0 HA SER A 25 -8.505 10.925 5.575 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.235 13.094 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.159 12.592 3.462 1.00 0.00 H new ATOM 0 HG SER A 25 -9.284 13.111 2.681 1.00 0.00 H new ATOM 362 N GLU A 26 -9.365 9.596 3.510 1.00 0.00 N ATOM 363 CA GLU A 26 -9.769 8.517 2.625 1.00 0.00 C ATOM 364 C GLU A 26 -11.033 8.907 1.856 1.00 0.00 C ATOM 365 O GLU A 26 -11.481 10.050 1.930 1.00 0.00 O ATOM 366 CB GLU A 26 -9.980 7.218 3.404 1.00 0.00 C ATOM 367 CG GLU A 26 -8.643 6.545 3.721 1.00 0.00 C ATOM 368 CD GLU A 26 -8.267 6.737 5.191 1.00 0.00 C ATOM 369 OE1 GLU A 26 -7.919 7.886 5.542 1.00 0.00 O ATOM 370 OE2 GLU A 26 -8.335 5.732 5.931 1.00 0.00 O ATOM 0 H GLU A 26 -10.134 10.151 3.884 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.968 8.344 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.514 7.428 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.604 6.539 2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.705 5.481 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.862 6.962 3.085 1.00 0.00 H new ATOM 377 N LYS A 27 -11.574 7.935 1.137 1.00 0.00 N ATOM 378 CA LYS A 27 -12.777 8.162 0.356 1.00 0.00 C ATOM 379 C LYS A 27 -13.532 6.841 0.194 1.00 0.00 C ATOM 380 O LYS A 27 -13.007 5.888 -0.380 1.00 0.00 O ATOM 381 CB LYS A 27 -12.434 8.840 -0.972 1.00 0.00 C ATOM 382 CG LYS A 27 -13.703 9.206 -1.745 1.00 0.00 C ATOM 383 CD LYS A 27 -13.527 10.529 -2.493 1.00 0.00 C ATOM 384 CE LYS A 27 -12.197 10.560 -3.247 1.00 0.00 C ATOM 385 NZ LYS A 27 -12.118 11.758 -4.112 1.00 0.00 N ATOM 0 H LYS A 27 -11.201 6.988 1.079 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.444 8.850 0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.846 9.739 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.816 8.175 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.943 8.413 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.544 9.283 -1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.350 10.666 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.568 11.358 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.370 10.562 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.095 9.660 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.131 12.082 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.458 11.521 -5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.709 12.514 -3.712 1.00 0.00 H new ATOM 399 N GLU A 28 -14.752 6.826 0.710 1.00 0.00 N ATOM 400 CA GLU A 28 -15.584 5.637 0.631 1.00 0.00 C ATOM 401 C GLU A 28 -16.227 5.532 -0.753 1.00 0.00 C ATOM 402 O GLU A 28 -17.296 6.094 -0.990 1.00 0.00 O ATOM 403 CB GLU A 28 -16.648 5.638 1.730 1.00 0.00 C ATOM 404 CG GLU A 28 -17.518 4.381 1.653 1.00 0.00 C ATOM 405 CD GLU A 28 -18.964 4.691 2.043 1.00 0.00 C ATOM 406 OE1 GLU A 28 -19.521 5.640 1.449 1.00 0.00 O ATOM 407 OE2 GLU A 28 -19.481 3.972 2.925 1.00 0.00 O ATOM 0 H GLU A 28 -15.185 7.618 1.185 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.951 4.763 0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -16.167 5.692 2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -17.275 6.525 1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -17.489 3.976 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -17.115 3.614 2.315 1.00 0.00 H new ATOM 414 N VAL A 29 -15.549 4.807 -1.632 1.00 0.00 N ATOM 415 CA VAL A 29 -16.041 4.621 -2.986 1.00 0.00 C ATOM 416 C VAL A 29 -16.562 3.190 -3.143 1.00 0.00 C ATOM 417 O VAL A 29 -15.803 2.286 -3.488 1.00 0.00 O ATOM 418 CB VAL A 29 -14.944 4.972 -3.994 1.00 0.00 C ATOM 419 CG1 VAL A 29 -14.537 6.442 -3.871 1.00 0.00 C ATOM 420 CG2 VAL A 29 -13.734 4.051 -3.830 1.00 0.00 C ATOM 0 H VAL A 29 -14.663 4.342 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.875 5.294 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.347 4.819 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.756 6.665 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.403 7.076 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.162 6.633 -2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.969 4.322 -4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.330 4.157 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.039 3.017 -3.992 1.00 0.00 H new ATOM 430 N ASP A 30 -17.850 3.031 -2.882 1.00 0.00 N ATOM 431 CA ASP A 30 -18.481 1.727 -2.989 1.00 0.00 C ATOM 432 C ASP A 30 -18.129 1.106 -4.343 1.00 0.00 C ATOM 433 O ASP A 30 -18.169 1.781 -5.370 1.00 0.00 O ATOM 434 CB ASP A 30 -20.004 1.842 -2.904 1.00 0.00 C ATOM 435 CG ASP A 30 -20.520 2.850 -1.874 1.00 0.00 C ATOM 436 OD1 ASP A 30 -19.725 3.199 -0.975 1.00 0.00 O ATOM 437 OD2 ASP A 30 -21.696 3.249 -2.012 1.00 0.00 O ATOM 0 H ASP A 30 -18.475 3.785 -2.596 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.120 1.109 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.388 2.120 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.415 0.861 -2.667 1.00 0.00 H new ATOM 442 N SER A 31 -17.792 -0.175 -4.300 1.00 0.00 N ATOM 443 CA SER A 31 -17.433 -0.895 -5.510 1.00 0.00 C ATOM 444 C SER A 31 -18.435 -2.023 -5.765 1.00 0.00 C ATOM 445 O SER A 31 -18.060 -3.098 -6.231 1.00 0.00 O ATOM 446 CB SER A 31 -16.013 -1.458 -5.416 1.00 0.00 C ATOM 447 OG SER A 31 -15.795 -2.515 -6.345 1.00 0.00 O ATOM 0 H SER A 31 -17.760 -0.732 -3.446 1.00 0.00 H new ATOM 0 HA SER A 31 -17.463 -0.195 -6.345 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.294 -0.660 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.834 -1.822 -4.404 1.00 0.00 H new ATOM 0 HG SER A 31 -16.611 -2.667 -6.865 1.00 0.00 H new ATOM 453 N GLY A 32 -19.689 -1.740 -5.446 1.00 0.00 N ATOM 454 CA GLY A 32 -20.749 -2.717 -5.634 1.00 0.00 C ATOM 455 C GLY A 32 -20.347 -4.078 -5.063 1.00 0.00 C ATOM 456 O GLY A 32 -19.334 -4.192 -4.374 1.00 0.00 O ATOM 0 H GLY A 32 -19.996 -0.848 -5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.660 -2.369 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.973 -2.816 -6.696 1.00 0.00 H new ATOM 460 N ASN A 33 -21.160 -5.077 -5.371 1.00 0.00 N ATOM 461 CA ASN A 33 -20.902 -6.426 -4.898 1.00 0.00 C ATOM 462 C ASN A 33 -19.931 -7.121 -5.854 1.00 0.00 C ATOM 463 O ASN A 33 -19.715 -6.654 -6.972 1.00 0.00 O ATOM 464 CB ASN A 33 -22.190 -7.250 -4.851 1.00 0.00 C ATOM 465 CG ASN A 33 -23.375 -6.390 -4.404 1.00 0.00 C ATOM 466 OD1 ASN A 33 -23.248 -5.488 -3.593 1.00 0.00 O ATOM 467 ND2 ASN A 33 -24.530 -6.721 -4.975 1.00 0.00 N ATOM 0 H ASN A 33 -21.999 -4.979 -5.943 1.00 0.00 H new ATOM 0 HA ASN A 33 -20.482 -6.356 -3.895 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -22.393 -7.671 -5.836 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -22.065 -8.088 -4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -25.380 -6.208 -4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -24.566 -7.488 -5.647 1.00 0.00 H new ATOM 474 N ASP A 34 -19.372 -8.224 -5.381 1.00 0.00 N ATOM 475 CA ASP A 34 -18.429 -8.988 -6.181 1.00 0.00 C ATOM 476 C ASP A 34 -19.162 -10.148 -6.856 1.00 0.00 C ATOM 477 O ASP A 34 -20.386 -10.128 -6.977 1.00 0.00 O ATOM 478 CB ASP A 34 -17.316 -9.575 -5.309 1.00 0.00 C ATOM 479 CG ASP A 34 -15.968 -9.748 -6.012 1.00 0.00 C ATOM 480 OD1 ASP A 34 -15.376 -8.706 -6.368 1.00 0.00 O ATOM 481 OD2 ASP A 34 -15.561 -10.917 -6.177 1.00 0.00 O ATOM 0 H ASP A 34 -19.554 -8.608 -4.454 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.992 -8.317 -6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.176 -8.930 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.641 -10.546 -4.935 1.00 0.00 H new ATOM 486 N ILE A 35 -18.383 -11.133 -7.279 1.00 0.00 N ATOM 487 CA ILE A 35 -18.943 -12.299 -7.940 1.00 0.00 C ATOM 488 C ILE A 35 -19.507 -13.254 -6.886 1.00 0.00 C ATOM 489 O ILE A 35 -20.014 -14.324 -7.221 1.00 0.00 O ATOM 490 CB ILE A 35 -17.905 -12.944 -8.862 1.00 0.00 C ATOM 491 CG1 ILE A 35 -17.384 -11.937 -9.888 1.00 0.00 C ATOM 492 CG2 ILE A 35 -18.467 -14.201 -9.526 1.00 0.00 C ATOM 493 CD1 ILE A 35 -16.489 -10.888 -9.224 1.00 0.00 C ATOM 0 H ILE A 35 -17.368 -11.147 -7.177 1.00 0.00 H new ATOM 0 HA ILE A 35 -19.772 -12.009 -8.586 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.055 -13.255 -8.255 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.824 -12.460 -10.663 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -18.224 -11.445 -10.379 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.709 -14.639 -10.175 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -18.749 -14.922 -8.759 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -19.344 -13.939 -10.118 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.133 -10.185 -9.977 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.059 -10.350 -8.466 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.637 -11.381 -8.755 1.00 0.00 H new ATOM 505 N TYR A 36 -19.399 -12.834 -5.635 1.00 0.00 N ATOM 506 CA TYR A 36 -19.892 -13.639 -4.529 1.00 0.00 C ATOM 507 C TYR A 36 -21.188 -13.056 -3.962 1.00 0.00 C ATOM 508 O TYR A 36 -21.786 -13.631 -3.055 1.00 0.00 O ATOM 509 CB TYR A 36 -18.807 -13.586 -3.452 1.00 0.00 C ATOM 510 CG TYR A 36 -18.720 -14.849 -2.593 1.00 0.00 C ATOM 511 CD1 TYR A 36 -18.713 -16.091 -3.194 1.00 0.00 C ATOM 512 CD2 TYR A 36 -18.649 -14.746 -1.219 1.00 0.00 C ATOM 513 CE1 TYR A 36 -18.631 -17.281 -2.386 1.00 0.00 C ATOM 514 CE2 TYR A 36 -18.567 -15.935 -0.412 1.00 0.00 C ATOM 515 CZ TYR A 36 -18.561 -17.144 -1.035 1.00 0.00 C ATOM 516 OH TYR A 36 -18.484 -18.267 -0.272 1.00 0.00 O ATOM 0 H TYR A 36 -18.977 -11.946 -5.362 1.00 0.00 H new ATOM 0 HA TYR A 36 -20.103 -14.656 -4.859 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -17.842 -13.418 -3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -18.995 -12.730 -2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -18.769 -16.171 -4.270 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -18.655 -13.774 -0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -18.625 -18.260 -2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -18.511 -15.869 0.665 1.00 0.00 H new ATOM 0 HH TYR A 36 -18.439 -18.017 0.674 1.00 0.00 H new ATOM 526 N GLY A 37 -21.583 -11.921 -4.520 1.00 0.00 N ATOM 527 CA GLY A 37 -22.796 -11.254 -4.080 1.00 0.00 C ATOM 528 C GLY A 37 -22.512 -10.320 -2.902 1.00 0.00 C ATOM 529 O GLY A 37 -23.394 -9.583 -2.463 1.00 0.00 O ATOM 0 H GLY A 37 -21.084 -11.447 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -23.222 -10.684 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -23.539 -11.997 -3.789 1.00 0.00 H new ATOM 533 N ASN A 38 -21.279 -10.382 -2.423 1.00 0.00 N ATOM 534 CA ASN A 38 -20.868 -9.550 -1.305 1.00 0.00 C ATOM 535 C ASN A 38 -20.421 -8.184 -1.827 1.00 0.00 C ATOM 536 O ASN A 38 -19.999 -8.062 -2.976 1.00 0.00 O ATOM 537 CB ASN A 38 -19.691 -10.178 -0.555 1.00 0.00 C ATOM 538 CG ASN A 38 -18.592 -10.612 -1.526 1.00 0.00 C ATOM 539 OD1 ASN A 38 -18.744 -10.570 -2.735 1.00 0.00 O ATOM 540 ND2 ASN A 38 -17.479 -11.032 -0.931 1.00 0.00 N ATOM 0 H ASN A 38 -20.551 -10.996 -2.789 1.00 0.00 H new ATOM 0 HA ASN A 38 -21.717 -9.452 -0.628 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.287 -9.462 0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -20.037 -11.039 0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.687 -11.344 -1.493 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.417 -11.042 0.087 1.00 0.00 H new ATOM 547 N PRO A 39 -20.532 -7.163 -0.935 1.00 0.00 N ATOM 548 CA PRO A 39 -20.144 -5.810 -1.294 1.00 0.00 C ATOM 549 C PRO A 39 -18.621 -5.665 -1.323 1.00 0.00 C ATOM 550 O PRO A 39 -17.939 -6.046 -0.372 1.00 0.00 O ATOM 551 CB PRO A 39 -20.805 -4.921 -0.253 1.00 0.00 C ATOM 552 CG PRO A 39 -21.151 -5.833 0.914 1.00 0.00 C ATOM 553 CD PRO A 39 -21.027 -7.270 0.434 1.00 0.00 C ATOM 0 HA PRO A 39 -20.467 -5.533 -2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -20.134 -4.122 0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -21.699 -4.446 -0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -20.479 -5.651 1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -22.163 -5.634 1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -20.339 -7.839 1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -21.988 -7.783 0.468 1.00 0.00 H new ATOM 561 N ILE A 40 -18.132 -5.114 -2.424 1.00 0.00 N ATOM 562 CA ILE A 40 -16.702 -4.914 -2.589 1.00 0.00 C ATOM 563 C ILE A 40 -16.239 -3.787 -1.665 1.00 0.00 C ATOM 564 O ILE A 40 -15.714 -4.044 -0.583 1.00 0.00 O ATOM 565 CB ILE A 40 -16.361 -4.681 -4.063 1.00 0.00 C ATOM 566 CG1 ILE A 40 -16.614 -5.943 -4.891 1.00 0.00 C ATOM 567 CG2 ILE A 40 -14.926 -4.172 -4.219 1.00 0.00 C ATOM 568 CD1 ILE A 40 -16.458 -5.658 -6.386 1.00 0.00 C ATOM 0 H ILE A 40 -18.700 -4.800 -3.211 1.00 0.00 H new ATOM 0 HA ILE A 40 -16.155 -5.810 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 40 -17.023 -3.905 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.916 -6.725 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -17.618 -6.318 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -14.709 -4.014 -5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -14.813 -3.231 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -14.233 -4.908 -3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -16.643 -6.571 -6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.174 -4.893 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.446 -5.306 -6.586 1.00 0.00 H new ATOM 580 N LYS A 41 -16.448 -2.563 -2.126 1.00 0.00 N ATOM 581 CA LYS A 41 -16.058 -1.395 -1.353 1.00 0.00 C ATOM 582 C LYS A 41 -14.533 -1.269 -1.362 1.00 0.00 C ATOM 583 O LYS A 41 -13.830 -2.174 -0.915 1.00 0.00 O ATOM 584 CB LYS A 41 -16.662 -1.457 0.052 1.00 0.00 C ATOM 585 CG LYS A 41 -17.757 -0.402 0.224 1.00 0.00 C ATOM 586 CD LYS A 41 -17.163 0.938 0.662 1.00 0.00 C ATOM 587 CE LYS A 41 -16.033 1.370 -0.276 1.00 0.00 C ATOM 588 NZ LYS A 41 -15.565 2.731 0.068 1.00 0.00 N ATOM 0 H LYS A 41 -16.882 -2.354 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.456 -0.487 -1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.077 -2.449 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.880 -1.300 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -18.296 -0.275 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.482 -0.742 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.943 1.699 0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.784 0.856 1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.204 0.665 -0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.382 1.349 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.582 2.850 -0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.169 3.435 -0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.615 2.865 1.098 1.00 0.00 H new ATOM 602 N ARG A 42 -14.068 -0.140 -1.877 1.00 0.00 N ATOM 603 CA ARG A 42 -12.640 0.116 -1.950 1.00 0.00 C ATOM 604 C ARG A 42 -12.338 1.559 -1.541 1.00 0.00 C ATOM 605 O ARG A 42 -12.149 2.423 -2.395 1.00 0.00 O ATOM 606 CB ARG A 42 -12.109 -0.128 -3.364 1.00 0.00 C ATOM 607 CG ARG A 42 -13.243 -0.090 -4.390 1.00 0.00 C ATOM 608 CD ARG A 42 -12.716 -0.362 -5.800 1.00 0.00 C ATOM 609 NE ARG A 42 -13.592 0.286 -6.802 1.00 0.00 N ATOM 610 CZ ARG A 42 -13.640 -0.062 -8.095 1.00 0.00 C ATOM 611 NH1 ARG A 42 -12.862 -1.052 -8.552 1.00 0.00 N ATOM 612 NH2 ARG A 42 -14.465 0.582 -8.932 1.00 0.00 N ATOM 0 H ARG A 42 -14.655 0.607 -2.248 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.144 -0.571 -1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.364 0.628 -3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.608 -1.095 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.998 -0.832 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.731 0.884 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.698 0.016 -5.896 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.675 -1.436 -5.981 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.197 1.045 -6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.233 -1.541 -7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.899 -1.317 -9.536 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.056 1.337 -8.585 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.502 0.317 -9.916 1.00 0.00 H new ATOM 626 N ILE A 43 -12.302 1.774 -0.234 1.00 0.00 N ATOM 627 CA ILE A 43 -12.025 3.097 0.299 1.00 0.00 C ATOM 628 C ILE A 43 -10.728 3.629 -0.315 1.00 0.00 C ATOM 629 O ILE A 43 -9.858 2.852 -0.704 1.00 0.00 O ATOM 630 CB ILE A 43 -12.015 3.067 1.829 1.00 0.00 C ATOM 631 CG1 ILE A 43 -13.051 4.036 2.403 1.00 0.00 C ATOM 632 CG2 ILE A 43 -10.612 3.340 2.373 1.00 0.00 C ATOM 633 CD1 ILE A 43 -14.359 3.312 2.728 1.00 0.00 C ATOM 0 H ILE A 43 -12.460 1.054 0.471 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.817 3.793 0.022 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.297 2.065 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -12.656 4.503 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.242 4.836 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.633 3.313 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.924 2.579 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.278 4.323 2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.078 4.024 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.764 2.866 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.169 2.529 3.462 1.00 0.00 H new ATOM 645 N GLN A 44 -10.640 4.950 -0.380 1.00 0.00 N ATOM 646 CA GLN A 44 -9.465 5.594 -0.940 1.00 0.00 C ATOM 647 C GLN A 44 -8.425 5.842 0.155 1.00 0.00 C ATOM 648 O GLN A 44 -8.656 5.522 1.320 1.00 0.00 O ATOM 649 CB GLN A 44 -9.838 6.898 -1.646 1.00 0.00 C ATOM 650 CG GLN A 44 -10.664 6.623 -2.905 1.00 0.00 C ATOM 651 CD GLN A 44 -10.161 5.373 -3.628 1.00 0.00 C ATOM 652 OE1 GLN A 44 -9.358 5.435 -4.545 1.00 0.00 O ATOM 653 NE2 GLN A 44 -10.676 4.237 -3.166 1.00 0.00 N ATOM 0 H GLN A 44 -11.363 5.591 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.030 4.928 -1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.405 7.534 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.933 7.443 -1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.712 6.495 -2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.610 7.481 -3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.344 4.256 -2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.403 3.347 -3.582 1.00 0.00 H new ATOM 662 N TYR A 45 -7.300 6.409 -0.259 1.00 0.00 N ATOM 663 CA TYR A 45 -6.224 6.704 0.671 1.00 0.00 C ATOM 664 C TYR A 45 -5.653 8.101 0.424 1.00 0.00 C ATOM 665 O TYR A 45 -4.506 8.240 -0.002 1.00 0.00 O ATOM 666 CB TYR A 45 -5.135 5.664 0.398 1.00 0.00 C ATOM 667 CG TYR A 45 -5.205 4.436 1.308 1.00 0.00 C ATOM 668 CD1 TYR A 45 -5.717 4.551 2.584 1.00 0.00 C ATOM 669 CD2 TYR A 45 -4.756 3.213 0.852 1.00 0.00 C ATOM 670 CE1 TYR A 45 -5.784 3.394 3.441 1.00 0.00 C ATOM 671 CE2 TYR A 45 -4.822 2.057 1.709 1.00 0.00 C ATOM 672 CZ TYR A 45 -5.332 2.205 2.960 1.00 0.00 C ATOM 673 OH TYR A 45 -5.394 1.113 3.770 1.00 0.00 O ATOM 0 H TYR A 45 -7.111 6.672 -1.226 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.585 6.672 1.699 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.209 5.339 -0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.159 6.135 0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.068 5.508 2.941 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.355 3.123 -0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.184 3.470 4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.474 1.094 1.365 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.038 0.333 3.295 1.00 0.00 H new ATOM 683 N GLU A 46 -6.476 9.100 0.702 1.00 0.00 N ATOM 684 CA GLU A 46 -6.067 10.481 0.515 1.00 0.00 C ATOM 685 C GLU A 46 -4.886 10.814 1.429 1.00 0.00 C ATOM 686 O GLU A 46 -5.037 11.553 2.400 1.00 0.00 O ATOM 687 CB GLU A 46 -7.236 11.438 0.760 1.00 0.00 C ATOM 688 CG GLU A 46 -7.107 12.694 -0.105 1.00 0.00 C ATOM 689 CD GLU A 46 -8.365 13.560 -0.004 1.00 0.00 C ATOM 690 OE1 GLU A 46 -9.454 13.013 -0.275 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.207 14.751 0.344 1.00 0.00 O ATOM 0 H GLU A 46 -7.425 8.981 1.056 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.748 10.607 -0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.176 10.934 0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.266 11.719 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.238 13.270 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.939 12.409 -1.144 1.00 0.00 H new ATOM 698 N ILE A 47 -3.737 10.251 1.086 1.00 0.00 N ATOM 699 CA ILE A 47 -2.531 10.477 1.864 1.00 0.00 C ATOM 700 C ILE A 47 -2.103 11.939 1.718 1.00 0.00 C ATOM 701 O ILE A 47 -2.803 12.736 1.097 1.00 0.00 O ATOM 702 CB ILE A 47 -1.443 9.476 1.470 1.00 0.00 C ATOM 703 CG1 ILE A 47 -1.044 9.649 0.003 1.00 0.00 C ATOM 704 CG2 ILE A 47 -1.879 8.043 1.781 1.00 0.00 C ATOM 705 CD1 ILE A 47 -0.347 8.394 -0.527 1.00 0.00 C ATOM 0 H ILE A 47 -3.616 9.639 0.279 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.723 10.304 2.923 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.556 9.680 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.930 9.858 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.381 10.508 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.088 7.351 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.073 7.946 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.787 7.810 1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.074 8.543 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.552 8.202 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.022 7.542 -0.447 1.00 0.00 H new ATOM 717 N LYS A 48 -0.955 12.247 2.302 1.00 0.00 N ATOM 718 CA LYS A 48 -0.425 13.599 2.246 1.00 0.00 C ATOM 719 C LYS A 48 0.976 13.568 1.631 1.00 0.00 C ATOM 720 O LYS A 48 1.611 14.609 1.468 1.00 0.00 O ATOM 721 CB LYS A 48 -0.474 14.253 3.628 1.00 0.00 C ATOM 722 CG LYS A 48 -0.537 15.777 3.512 1.00 0.00 C ATOM 723 CD LYS A 48 0.421 16.441 4.503 1.00 0.00 C ATOM 724 CE LYS A 48 1.807 15.799 4.443 1.00 0.00 C ATOM 725 NZ LYS A 48 2.855 16.836 4.319 1.00 0.00 N ATOM 0 H LYS A 48 -0.376 11.583 2.817 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.044 14.223 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.344 13.890 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.407 13.965 4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.282 16.079 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.555 16.118 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.500 17.505 4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.021 16.356 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.979 15.206 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.861 15.116 3.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.790 16.382 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.700 17.384 3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.813 17.472 5.141 1.00 0.00 H new ATOM 739 N GLN A 49 1.419 12.361 1.306 1.00 0.00 N ATOM 740 CA GLN A 49 2.733 12.181 0.713 1.00 0.00 C ATOM 741 C GLN A 49 3.810 12.785 1.617 1.00 0.00 C ATOM 742 O GLN A 49 3.740 13.959 1.973 1.00 0.00 O ATOM 743 CB GLN A 49 2.790 12.790 -0.690 1.00 0.00 C ATOM 744 CG GLN A 49 4.061 13.620 -0.876 1.00 0.00 C ATOM 745 CD GLN A 49 5.307 12.732 -0.837 1.00 0.00 C ATOM 746 OE1 GLN A 49 6.247 12.969 -0.097 1.00 0.00 O ATOM 747 NE2 GLN A 49 5.260 11.698 -1.673 1.00 0.00 N ATOM 0 H GLN A 49 0.891 11.499 1.442 1.00 0.00 H new ATOM 0 HA GLN A 49 2.924 11.112 0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.757 11.996 -1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.914 13.418 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.017 14.150 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.124 14.376 -0.093 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.442 11.558 -2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.042 11.045 -1.721 1.00 0.00 H new ATOM 756 N ILE A 50 4.782 11.952 1.961 1.00 0.00 N ATOM 757 CA ILE A 50 5.872 12.389 2.815 1.00 0.00 C ATOM 758 C ILE A 50 7.201 11.915 2.223 1.00 0.00 C ATOM 759 O ILE A 50 8.221 12.589 2.356 1.00 0.00 O ATOM 760 CB ILE A 50 5.643 11.926 4.256 1.00 0.00 C ATOM 761 CG1 ILE A 50 6.743 10.963 4.705 1.00 0.00 C ATOM 762 CG2 ILE A 50 4.248 11.321 4.421 1.00 0.00 C ATOM 763 CD1 ILE A 50 6.294 10.147 5.919 1.00 0.00 C ATOM 0 H ILE A 50 4.837 10.978 1.664 1.00 0.00 H new ATOM 0 HA ILE A 50 5.910 13.478 2.855 1.00 0.00 H new ATOM 0 HB ILE A 50 5.695 12.798 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.000 10.292 3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.644 11.524 4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.110 11.000 5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.495 12.068 4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.143 10.463 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.094 9.470 6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.061 10.820 6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.407 9.569 5.661 1.00 0.00 H new ATOM 775 N LYS A 51 7.146 10.756 1.580 1.00 0.00 N ATOM 776 CA LYS A 51 8.333 10.184 0.967 1.00 0.00 C ATOM 777 C LYS A 51 7.921 9.361 -0.256 1.00 0.00 C ATOM 778 O LYS A 51 6.741 9.076 -0.449 1.00 0.00 O ATOM 779 CB LYS A 51 9.139 9.392 1.998 1.00 0.00 C ATOM 780 CG LYS A 51 10.576 9.912 2.085 1.00 0.00 C ATOM 781 CD LYS A 51 11.570 8.757 2.215 1.00 0.00 C ATOM 782 CE LYS A 51 12.904 9.102 1.549 1.00 0.00 C ATOM 783 NZ LYS A 51 13.973 8.202 2.034 1.00 0.00 N ATOM 0 H LYS A 51 6.299 10.199 1.471 1.00 0.00 H new ATOM 0 HA LYS A 51 8.998 10.972 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.661 9.467 2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.146 8.336 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.809 10.498 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.674 10.579 2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.734 8.531 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.152 7.860 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.810 9.015 0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.167 10.138 1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.871 8.450 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.073 8.305 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.727 7.217 1.807 1.00 0.00 H new ATOM 797 N MET A 52 8.919 9.004 -1.051 1.00 0.00 N ATOM 798 CA MET A 52 8.677 8.220 -2.251 1.00 0.00 C ATOM 799 C MET A 52 9.846 7.274 -2.533 1.00 0.00 C ATOM 800 O MET A 52 10.578 7.459 -3.505 1.00 0.00 O ATOM 801 CB MET A 52 8.479 9.158 -3.443 1.00 0.00 C ATOM 802 CG MET A 52 7.115 8.933 -4.098 1.00 0.00 C ATOM 803 SD MET A 52 6.676 10.346 -5.096 1.00 0.00 S ATOM 804 CE MET A 52 8.300 10.884 -5.604 1.00 0.00 C ATOM 0 H MET A 52 9.897 9.243 -0.888 1.00 0.00 H new ATOM 0 HA MET A 52 7.779 7.621 -2.096 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.561 10.194 -3.113 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.269 8.993 -4.175 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.143 8.036 -4.716 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.357 8.769 -3.332 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.214 11.512 -6.491 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.763 11.454 -4.799 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.916 10.015 -5.833 1.00 0.00 H new ATOM 814 N PHE A 53 9.986 6.282 -1.666 1.00 0.00 N ATOM 815 CA PHE A 53 11.054 5.307 -1.810 1.00 0.00 C ATOM 816 C PHE A 53 11.291 4.969 -3.283 1.00 0.00 C ATOM 817 O PHE A 53 12.233 5.470 -3.895 1.00 0.00 O ATOM 818 CB PHE A 53 10.606 4.043 -1.075 1.00 0.00 C ATOM 819 CG PHE A 53 11.208 3.890 0.324 1.00 0.00 C ATOM 820 CD1 PHE A 53 12.545 4.055 0.510 1.00 0.00 C ATOM 821 CD2 PHE A 53 10.406 3.591 1.381 1.00 0.00 C ATOM 822 CE1 PHE A 53 13.104 3.913 1.808 1.00 0.00 C ATOM 823 CE2 PHE A 53 10.965 3.451 2.679 1.00 0.00 C ATOM 824 CZ PHE A 53 12.302 3.614 2.865 1.00 0.00 C ATOM 0 H PHE A 53 9.378 6.132 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 53 11.982 5.707 -1.403 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.519 4.049 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.876 3.172 -1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 53 13.182 4.294 -0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.344 3.460 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 53 14.166 4.042 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.328 3.215 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.727 3.506 3.852 1.00 0.00 H new ATOM 834 N LYS A 54 10.421 4.120 -3.810 1.00 0.00 N ATOM 835 CA LYS A 54 10.526 3.708 -5.200 1.00 0.00 C ATOM 836 C LYS A 54 9.185 3.940 -5.898 1.00 0.00 C ATOM 837 O LYS A 54 8.527 2.990 -6.320 1.00 0.00 O ATOM 838 CB LYS A 54 11.027 2.266 -5.295 1.00 0.00 C ATOM 839 CG LYS A 54 11.614 1.979 -6.679 1.00 0.00 C ATOM 840 CD LYS A 54 12.955 2.692 -6.864 1.00 0.00 C ATOM 841 CE LYS A 54 13.117 3.191 -8.301 1.00 0.00 C ATOM 842 NZ LYS A 54 12.107 4.229 -8.606 1.00 0.00 N ATOM 0 H LYS A 54 9.641 3.706 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 54 11.267 4.313 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.784 2.089 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.206 1.578 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.749 0.905 -6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.915 2.305 -7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.022 3.533 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.770 2.011 -6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.119 3.598 -8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.012 2.358 -8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.479 4.873 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.239 3.776 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.892 4.769 -7.743 1.00 0.00 H new ATOM 856 N GLY A 55 8.818 5.210 -5.998 1.00 0.00 N ATOM 857 CA GLY A 55 7.567 5.579 -6.638 1.00 0.00 C ATOM 858 C GLY A 55 7.814 6.494 -7.840 1.00 0.00 C ATOM 859 O GLY A 55 8.917 6.525 -8.383 1.00 0.00 O ATOM 0 H GLY A 55 9.365 5.996 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.042 4.681 -6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.922 6.084 -5.919 1.00 0.00 H new ATOM 863 N PRO A 56 6.742 7.236 -8.226 1.00 0.00 N ATOM 864 CA PRO A 56 6.833 8.150 -9.353 1.00 0.00 C ATOM 865 C PRO A 56 7.612 9.410 -8.976 1.00 0.00 C ATOM 866 O PRO A 56 8.047 9.558 -7.835 1.00 0.00 O ATOM 867 CB PRO A 56 5.392 8.437 -9.743 1.00 0.00 C ATOM 868 CG PRO A 56 4.550 8.049 -8.539 1.00 0.00 C ATOM 869 CD PRO A 56 5.422 7.226 -7.606 1.00 0.00 C ATOM 0 HA PRO A 56 7.383 7.728 -10.194 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.257 9.490 -9.991 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.104 7.862 -10.623 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.180 8.939 -8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.678 7.475 -8.852 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.451 7.659 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.041 6.210 -7.502 1.00 0.00 H new ATOM 877 N GLU A 57 7.767 10.288 -9.957 1.00 0.00 N ATOM 878 CA GLU A 57 8.487 11.531 -9.742 1.00 0.00 C ATOM 879 C GLU A 57 7.578 12.562 -9.069 1.00 0.00 C ATOM 880 O GLU A 57 8.040 13.374 -8.269 1.00 0.00 O ATOM 881 CB GLU A 57 9.051 12.073 -11.057 1.00 0.00 C ATOM 882 CG GLU A 57 9.330 10.937 -12.043 1.00 0.00 C ATOM 883 CD GLU A 57 10.269 11.399 -13.160 1.00 0.00 C ATOM 884 OE1 GLU A 57 9.785 12.148 -14.035 1.00 0.00 O ATOM 885 OE2 GLU A 57 11.449 10.990 -13.113 1.00 0.00 O ATOM 0 H GLU A 57 7.406 10.162 -10.903 1.00 0.00 H new ATOM 0 HA GLU A 57 9.329 11.330 -9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.344 12.776 -11.497 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.971 12.625 -10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.774 10.093 -11.515 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.392 10.586 -12.473 1.00 0.00 H new ATOM 892 N LYS A 58 6.302 12.496 -9.419 1.00 0.00 N ATOM 893 CA LYS A 58 5.324 13.413 -8.859 1.00 0.00 C ATOM 894 C LYS A 58 4.891 12.910 -7.480 1.00 0.00 C ATOM 895 O LYS A 58 5.382 13.389 -6.459 1.00 0.00 O ATOM 896 CB LYS A 58 4.161 13.617 -9.832 1.00 0.00 C ATOM 897 CG LYS A 58 3.592 15.031 -9.718 1.00 0.00 C ATOM 898 CD LYS A 58 4.003 15.887 -10.917 1.00 0.00 C ATOM 899 CE LYS A 58 5.520 16.083 -10.956 1.00 0.00 C ATOM 900 NZ LYS A 58 5.864 17.319 -11.694 1.00 0.00 N ATOM 0 H LYS A 58 5.923 11.822 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 58 5.765 14.399 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.501 13.439 -10.852 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.377 12.888 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.505 14.985 -9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.945 15.495 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.670 15.411 -11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.509 16.857 -10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.912 16.138 -9.940 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.991 15.224 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.897 17.437 -11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.507 17.252 -12.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.430 18.138 -11.222 1.00 0.00 H new ATOM 914 N ASP A 59 3.976 11.952 -7.495 1.00 0.00 N ATOM 915 CA ASP A 59 3.471 11.380 -6.259 1.00 0.00 C ATOM 916 C ASP A 59 2.058 10.843 -6.491 1.00 0.00 C ATOM 917 O ASP A 59 1.467 11.072 -7.545 1.00 0.00 O ATOM 918 CB ASP A 59 3.401 12.434 -5.152 1.00 0.00 C ATOM 919 CG ASP A 59 2.519 12.061 -3.960 1.00 0.00 C ATOM 920 OD1 ASP A 59 2.782 10.991 -3.371 1.00 0.00 O ATOM 921 OD2 ASP A 59 1.600 12.856 -3.663 1.00 0.00 O ATOM 0 H ASP A 59 3.571 11.557 -8.344 1.00 0.00 H new ATOM 0 HA ASP A 59 4.149 10.583 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.411 12.628 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.032 13.366 -5.581 1.00 0.00 H new ATOM 926 N ILE A 60 1.555 10.137 -5.488 1.00 0.00 N ATOM 927 CA ILE A 60 0.222 9.566 -5.569 1.00 0.00 C ATOM 928 C ILE A 60 -0.762 10.473 -4.827 1.00 0.00 C ATOM 929 O ILE A 60 -1.567 11.163 -5.452 1.00 0.00 O ATOM 930 CB ILE A 60 0.227 8.121 -5.064 1.00 0.00 C ATOM 931 CG1 ILE A 60 1.580 7.455 -5.322 1.00 0.00 C ATOM 932 CG2 ILE A 60 -0.929 7.324 -5.673 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.760 7.134 -6.806 1.00 0.00 C ATOM 0 H ILE A 60 2.047 9.948 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.109 9.516 -6.606 1.00 0.00 H new ATOM 0 HB ILE A 60 0.076 8.136 -3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.382 8.113 -4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.656 6.539 -4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.903 6.301 -5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.876 7.788 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.833 7.315 -6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.730 6.661 -6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.970 6.456 -7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.708 8.055 -7.386 1.00 0.00 H new ATOM 945 N GLU A 61 -0.668 10.441 -3.507 1.00 0.00 N ATOM 946 CA GLU A 61 -1.540 11.251 -2.674 1.00 0.00 C ATOM 947 C GLU A 61 -2.953 10.666 -2.659 1.00 0.00 C ATOM 948 O GLU A 61 -3.809 11.117 -1.898 1.00 0.00 O ATOM 949 CB GLU A 61 -1.554 12.706 -3.148 1.00 0.00 C ATOM 950 CG GLU A 61 -0.891 13.625 -2.119 1.00 0.00 C ATOM 951 CD GLU A 61 -1.661 14.939 -1.981 1.00 0.00 C ATOM 952 OE1 GLU A 61 -2.824 14.872 -1.528 1.00 0.00 O ATOM 953 OE2 GLU A 61 -1.069 15.983 -2.333 1.00 0.00 O ATOM 0 H GLU A 61 -0.001 9.866 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.152 11.239 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.033 12.786 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.582 13.027 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.846 13.122 -1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.136 13.831 -2.419 1.00 0.00 H new ATOM 960 N PHE A 62 -3.156 9.670 -3.508 1.00 0.00 N ATOM 961 CA PHE A 62 -4.451 9.017 -3.603 1.00 0.00 C ATOM 962 C PHE A 62 -4.294 7.533 -3.936 1.00 0.00 C ATOM 963 O PHE A 62 -4.153 7.165 -5.101 1.00 0.00 O ATOM 964 CB PHE A 62 -5.216 9.705 -4.737 1.00 0.00 C ATOM 965 CG PHE A 62 -6.446 10.488 -4.273 1.00 0.00 C ATOM 966 CD1 PHE A 62 -7.618 9.838 -4.041 1.00 0.00 C ATOM 967 CD2 PHE A 62 -6.367 11.833 -4.093 1.00 0.00 C ATOM 968 CE1 PHE A 62 -8.759 10.565 -3.610 1.00 0.00 C ATOM 969 CE2 PHE A 62 -7.508 12.560 -3.662 1.00 0.00 C ATOM 970 CZ PHE A 62 -8.680 11.911 -3.430 1.00 0.00 C ATOM 0 H PHE A 62 -2.445 9.298 -4.137 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.977 9.094 -2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.541 10.384 -5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.529 8.951 -5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.681 8.769 -4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.436 12.349 -4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.690 10.049 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.445 13.629 -3.518 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.548 12.464 -3.103 1.00 0.00 H new ATOM 980 N ILE A 63 -4.325 6.719 -2.890 1.00 0.00 N ATOM 981 CA ILE A 63 -4.189 5.282 -3.056 1.00 0.00 C ATOM 982 C ILE A 63 -5.550 4.616 -2.843 1.00 0.00 C ATOM 983 O ILE A 63 -6.498 5.263 -2.398 1.00 0.00 O ATOM 984 CB ILE A 63 -3.089 4.738 -2.142 1.00 0.00 C ATOM 985 CG1 ILE A 63 -2.046 5.817 -1.841 1.00 0.00 C ATOM 986 CG2 ILE A 63 -2.456 3.477 -2.735 1.00 0.00 C ATOM 987 CD1 ILE A 63 -0.744 5.545 -2.598 1.00 0.00 C ATOM 0 H ILE A 63 -4.442 7.028 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.873 5.045 -4.072 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.542 4.453 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.437 6.795 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.848 5.849 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.678 3.111 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.220 2.709 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.019 3.711 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.019 6.326 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.343 4.577 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.941 5.538 -3.670 1.00 0.00 H new ATOM 999 N TYR A 64 -5.604 3.334 -3.171 1.00 0.00 N ATOM 1000 CA TYR A 64 -6.833 2.573 -3.020 1.00 0.00 C ATOM 1001 C TYR A 64 -6.620 1.359 -2.113 1.00 0.00 C ATOM 1002 O TYR A 64 -5.492 0.896 -1.947 1.00 0.00 O ATOM 1003 CB TYR A 64 -7.204 2.089 -4.423 1.00 0.00 C ATOM 1004 CG TYR A 64 -7.719 3.194 -5.348 1.00 0.00 C ATOM 1005 CD1 TYR A 64 -6.914 4.275 -5.646 1.00 0.00 C ATOM 1006 CD2 TYR A 64 -8.988 3.109 -5.882 1.00 0.00 C ATOM 1007 CE1 TYR A 64 -7.399 5.315 -6.516 1.00 0.00 C ATOM 1008 CE2 TYR A 64 -9.473 4.150 -6.752 1.00 0.00 C ATOM 1009 CZ TYR A 64 -8.655 5.201 -7.026 1.00 0.00 C ATOM 1010 OH TYR A 64 -9.113 6.183 -7.848 1.00 0.00 O ATOM 0 H TYR A 64 -4.816 2.802 -3.541 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.612 3.188 -2.570 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.329 1.626 -4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.967 1.315 -4.339 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.921 4.341 -5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.617 2.263 -5.648 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.780 6.166 -6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -10.464 4.097 -7.177 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.024 5.969 -8.138 1.00 0.00 H new ATOM 1020 N THR A 65 -7.720 0.879 -1.552 1.00 0.00 N ATOM 1021 CA THR A 65 -7.668 -0.272 -0.667 1.00 0.00 C ATOM 1022 C THR A 65 -9.080 -0.692 -0.255 1.00 0.00 C ATOM 1023 O THR A 65 -10.054 -0.332 -0.912 1.00 0.00 O ATOM 1024 CB THR A 65 -6.768 0.084 0.519 1.00 0.00 C ATOM 1025 OG1 THR A 65 -6.731 -1.109 1.297 1.00 0.00 O ATOM 1026 CG2 THR A 65 -7.409 1.116 1.449 1.00 0.00 C ATOM 0 H THR A 65 -8.653 1.266 -1.693 1.00 0.00 H new ATOM 0 HA THR A 65 -7.239 -1.139 -1.170 1.00 0.00 H new ATOM 0 HB THR A 65 -5.816 0.468 0.151 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.993 -0.906 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.730 1.334 2.274 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.610 2.032 0.893 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.344 0.719 1.844 1.00 0.00 H new ATOM 1034 N ALA A 66 -9.144 -1.448 0.830 1.00 0.00 N ATOM 1035 CA ALA A 66 -10.420 -1.922 1.339 1.00 0.00 C ATOM 1036 C ALA A 66 -10.748 -1.191 2.642 1.00 0.00 C ATOM 1037 O ALA A 66 -9.849 -0.832 3.400 1.00 0.00 O ATOM 1038 CB ALA A 66 -10.366 -3.441 1.519 1.00 0.00 C ATOM 0 H ALA A 66 -8.332 -1.745 1.372 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.220 -1.706 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.323 -3.796 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.160 -3.914 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.576 -3.696 2.226 1.00 0.00 H new ATOM 1044 N PRO A 67 -12.074 -0.986 2.868 1.00 0.00 N ATOM 1045 CA PRO A 67 -12.533 -0.305 4.066 1.00 0.00 C ATOM 1046 C PRO A 67 -12.430 -1.217 5.290 1.00 0.00 C ATOM 1047 O PRO A 67 -11.734 -2.231 5.255 1.00 0.00 O ATOM 1048 CB PRO A 67 -13.960 0.115 3.758 1.00 0.00 C ATOM 1049 CG PRO A 67 -14.405 -0.746 2.587 1.00 0.00 C ATOM 1050 CD PRO A 67 -13.167 -1.398 1.991 1.00 0.00 C ATOM 0 HA PRO A 67 -11.922 0.562 4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -14.607 -0.037 4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.009 1.174 3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.114 -1.505 2.919 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.915 -0.139 1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.265 -2.483 1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.999 -1.067 0.966 1.00 0.00 H new ATOM 1058 N SER A 68 -13.132 -0.824 6.343 1.00 0.00 N ATOM 1059 CA SER A 68 -13.128 -1.595 7.575 1.00 0.00 C ATOM 1060 C SER A 68 -11.704 -1.687 8.129 1.00 0.00 C ATOM 1061 O SER A 68 -10.807 -0.984 7.666 1.00 0.00 O ATOM 1062 CB SER A 68 -13.702 -2.995 7.350 1.00 0.00 C ATOM 1063 OG SER A 68 -15.087 -3.063 7.681 1.00 0.00 O ATOM 0 H SER A 68 -13.707 0.018 6.368 1.00 0.00 H new ATOM 0 HA SER A 68 -13.761 -1.085 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.564 -3.280 6.307 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.149 -3.715 7.953 1.00 0.00 H new ATOM 0 HG SER A 68 -15.417 -3.972 7.522 1.00 0.00 H new ATOM 1069 N SER A 69 -11.542 -2.560 9.113 1.00 0.00 N ATOM 1070 CA SER A 69 -10.243 -2.754 9.735 1.00 0.00 C ATOM 1071 C SER A 69 -9.298 -3.462 8.763 1.00 0.00 C ATOM 1072 O SER A 69 -8.687 -4.471 9.110 1.00 0.00 O ATOM 1073 CB SER A 69 -10.368 -3.555 11.033 1.00 0.00 C ATOM 1074 OG SER A 69 -11.160 -4.727 10.861 1.00 0.00 O ATOM 0 H SER A 69 -12.289 -3.141 9.495 1.00 0.00 H new ATOM 0 HA SER A 69 -9.832 -1.775 9.982 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.375 -3.836 11.383 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.812 -2.927 11.806 1.00 0.00 H new ATOM 0 HG SER A 69 -11.215 -5.212 11.711 1.00 0.00 H new ATOM 1080 N ALA A 70 -9.206 -2.904 7.564 1.00 0.00 N ATOM 1081 CA ALA A 70 -8.345 -3.468 6.540 1.00 0.00 C ATOM 1082 C ALA A 70 -8.763 -4.916 6.269 1.00 0.00 C ATOM 1083 O ALA A 70 -8.522 -5.798 7.091 1.00 0.00 O ATOM 1084 CB ALA A 70 -6.885 -3.357 6.982 1.00 0.00 C ATOM 0 H ALA A 70 -9.714 -2.067 7.280 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.446 -2.915 5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.239 -3.781 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.629 -2.308 7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.745 -3.903 7.915 1.00 0.00 H new ATOM 1090 N VAL A 71 -9.381 -5.113 5.115 1.00 0.00 N ATOM 1091 CA VAL A 71 -9.835 -6.438 4.726 1.00 0.00 C ATOM 1092 C VAL A 71 -9.039 -6.906 3.506 1.00 0.00 C ATOM 1093 O VAL A 71 -8.689 -8.081 3.404 1.00 0.00 O ATOM 1094 CB VAL A 71 -11.346 -6.422 4.483 1.00 0.00 C ATOM 1095 CG1 VAL A 71 -11.994 -5.200 5.136 1.00 0.00 C ATOM 1096 CG2 VAL A 71 -11.662 -6.478 2.988 1.00 0.00 C ATOM 0 H VAL A 71 -9.578 -4.378 4.436 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.655 -7.155 5.527 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.769 -7.313 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.068 -5.213 4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.814 -5.223 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.563 -4.291 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.742 -6.465 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.219 -5.615 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.250 -7.393 2.563 1.00 0.00 H new ATOM 1106 N CYS A 72 -8.777 -5.964 2.613 1.00 0.00 N ATOM 1107 CA CYS A 72 -8.028 -6.267 1.404 1.00 0.00 C ATOM 1108 C CYS A 72 -6.819 -5.333 1.342 1.00 0.00 C ATOM 1109 O CYS A 72 -6.162 -5.230 0.307 1.00 0.00 O ATOM 1110 CB CYS A 72 -8.903 -6.152 0.154 1.00 0.00 C ATOM 1111 SG CYS A 72 -10.550 -6.936 0.295 1.00 0.00 S ATOM 0 H CYS A 72 -9.069 -4.991 2.701 1.00 0.00 H new ATOM 0 HA CYS A 72 -7.685 -7.301 1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.038 -5.096 -0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.373 -6.601 -0.686 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.560 -4.676 2.464 1.00 0.00 N ATOM 1117 CA GLY A 73 -5.440 -3.754 2.549 1.00 0.00 C ATOM 1118 C GLY A 73 -4.897 -3.683 3.978 1.00 0.00 C ATOM 1119 O GLY A 73 -4.995 -4.650 4.731 1.00 0.00 O ATOM 0 H GLY A 73 -7.106 -4.764 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.649 -4.073 1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.755 -2.762 2.226 1.00 0.00 H new ATOM 1123 N VAL A 74 -4.335 -2.530 4.307 1.00 0.00 N ATOM 1124 CA VAL A 74 -3.776 -2.320 5.631 1.00 0.00 C ATOM 1125 C VAL A 74 -4.572 -1.229 6.350 1.00 0.00 C ATOM 1126 O VAL A 74 -4.276 -0.891 7.495 1.00 0.00 O ATOM 1127 CB VAL A 74 -2.284 -1.999 5.524 1.00 0.00 C ATOM 1128 CG1 VAL A 74 -1.695 -1.665 6.897 1.00 0.00 C ATOM 1129 CG2 VAL A 74 -1.521 -3.150 4.866 1.00 0.00 C ATOM 0 H VAL A 74 -4.255 -1.730 3.679 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.858 -3.228 6.228 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.176 -1.119 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.633 -1.441 6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.210 -0.799 7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.822 -2.517 7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.463 -2.896 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.642 -4.054 5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.914 -3.321 3.864 1.00 0.00 H new ATOM 1139 N SER A 75 -5.567 -0.707 5.648 1.00 0.00 N ATOM 1140 CA SER A 75 -6.408 0.339 6.204 1.00 0.00 C ATOM 1141 C SER A 75 -5.578 1.251 7.111 1.00 0.00 C ATOM 1142 O SER A 75 -5.489 1.018 8.315 1.00 0.00 O ATOM 1143 CB SER A 75 -7.584 -0.255 6.982 1.00 0.00 C ATOM 1144 OG SER A 75 -7.207 -0.655 8.296 1.00 0.00 O ATOM 0 H SER A 75 -5.810 -0.989 4.698 1.00 0.00 H new ATOM 0 HA SER A 75 -6.812 0.927 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.387 0.480 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.980 -1.115 6.441 1.00 0.00 H new ATOM 0 HG SER A 75 -6.919 0.130 8.807 1.00 0.00 H new ATOM 1150 N LEU A 76 -4.993 2.268 6.497 1.00 0.00 N ATOM 1151 CA LEU A 76 -4.174 3.215 7.234 1.00 0.00 C ATOM 1152 C LEU A 76 -4.891 4.565 7.292 1.00 0.00 C ATOM 1153 O LEU A 76 -5.418 5.037 6.286 1.00 0.00 O ATOM 1154 CB LEU A 76 -2.769 3.291 6.632 1.00 0.00 C ATOM 1155 CG LEU A 76 -2.288 2.040 5.895 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -2.429 2.207 4.380 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -0.856 1.682 6.300 1.00 0.00 C ATOM 0 H LEU A 76 -5.070 2.457 5.498 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.038 2.881 8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.737 4.132 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.063 3.511 7.433 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.925 1.205 6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.080 1.303 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.476 2.379 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.832 3.057 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.538 0.789 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.191 2.510 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.818 1.492 7.373 1.00 0.00 H new ATOM 1169 N ASP A 77 -4.889 5.150 8.481 1.00 0.00 N ATOM 1170 CA ASP A 77 -5.532 6.437 8.684 1.00 0.00 C ATOM 1171 C ASP A 77 -4.525 7.416 9.290 1.00 0.00 C ATOM 1172 O ASP A 77 -4.865 8.563 9.577 1.00 0.00 O ATOM 1173 CB ASP A 77 -6.713 6.316 9.650 1.00 0.00 C ATOM 1174 CG ASP A 77 -6.584 5.203 10.693 1.00 0.00 C ATOM 1175 OD1 ASP A 77 -5.958 5.477 11.739 1.00 0.00 O ATOM 1176 OD2 ASP A 77 -7.114 4.105 10.420 1.00 0.00 O ATOM 0 H ASP A 77 -4.452 4.756 9.314 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.891 6.791 7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.838 7.267 10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.621 6.147 9.071 1.00 0.00 H new ATOM 1181 N VAL A 78 -3.305 6.929 9.466 1.00 0.00 N ATOM 1182 CA VAL A 78 -2.247 7.746 10.032 1.00 0.00 C ATOM 1183 C VAL A 78 -2.522 7.971 11.520 1.00 0.00 C ATOM 1184 O VAL A 78 -1.693 7.637 12.365 1.00 0.00 O ATOM 1185 CB VAL A 78 -2.116 9.053 9.244 1.00 0.00 C ATOM 1186 CG1 VAL A 78 -1.730 10.212 10.164 1.00 0.00 C ATOM 1187 CG2 VAL A 78 -1.114 8.904 8.098 1.00 0.00 C ATOM 0 H VAL A 78 -3.026 5.978 9.226 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.287 7.236 9.952 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.089 9.281 8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.644 11.128 9.579 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.496 10.341 10.928 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.774 9.995 10.641 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.040 9.846 7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.136 8.640 8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.451 8.120 7.420 1.00 0.00 H new ATOM 1197 N GLY A 79 -3.689 8.537 11.795 1.00 0.00 N ATOM 1198 CA GLY A 79 -4.083 8.810 13.166 1.00 0.00 C ATOM 1199 C GLY A 79 -4.024 7.540 14.017 1.00 0.00 C ATOM 1200 O GLY A 79 -4.167 7.599 15.238 1.00 0.00 O ATOM 0 H GLY A 79 -4.374 8.814 11.091 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.427 9.569 13.593 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.094 9.217 13.183 1.00 0.00 H new ATOM 1204 N GLY A 80 -3.814 6.421 13.339 1.00 0.00 N ATOM 1205 CA GLY A 80 -3.735 5.138 14.018 1.00 0.00 C ATOM 1206 C GLY A 80 -2.374 4.478 13.785 1.00 0.00 C ATOM 1207 O GLY A 80 -1.975 3.590 14.537 1.00 0.00 O ATOM 0 H GLY A 80 -3.696 6.376 12.327 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.898 5.277 15.087 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.528 4.482 13.658 1.00 0.00 H new ATOM 1211 N LYS A 81 -1.699 4.938 12.741 1.00 0.00 N ATOM 1212 CA LYS A 81 -0.392 4.404 12.401 1.00 0.00 C ATOM 1213 C LYS A 81 0.611 5.553 12.289 1.00 0.00 C ATOM 1214 O LYS A 81 1.193 5.973 13.287 1.00 0.00 O ATOM 1215 CB LYS A 81 -0.479 3.538 11.143 1.00 0.00 C ATOM 1216 CG LYS A 81 -1.872 3.621 10.515 1.00 0.00 C ATOM 1217 CD LYS A 81 -2.863 2.725 11.261 1.00 0.00 C ATOM 1218 CE LYS A 81 -4.270 3.324 11.234 1.00 0.00 C ATOM 1219 NZ LYS A 81 -5.123 2.599 10.266 1.00 0.00 N ATOM 0 H LYS A 81 -2.033 5.675 12.120 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.033 3.744 13.191 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.269 3.864 10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.250 2.502 11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.223 4.653 10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.822 3.321 9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.877 1.734 10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.538 2.598 12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.713 3.272 12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.218 4.379 10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.684 3.282 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.523 2.046 9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.762 1.958 10.778 1.00 0.00 H new ATOM 1233 N LYS A 82 0.782 6.030 11.065 1.00 0.00 N ATOM 1234 CA LYS A 82 1.704 7.123 10.808 1.00 0.00 C ATOM 1235 C LYS A 82 1.918 7.261 9.300 1.00 0.00 C ATOM 1236 O LYS A 82 1.202 8.009 8.634 1.00 0.00 O ATOM 1237 CB LYS A 82 3.001 6.926 11.597 1.00 0.00 C ATOM 1238 CG LYS A 82 3.480 5.475 11.510 1.00 0.00 C ATOM 1239 CD LYS A 82 3.640 4.866 12.904 1.00 0.00 C ATOM 1240 CE LYS A 82 2.713 3.664 13.087 1.00 0.00 C ATOM 1241 NZ LYS A 82 3.426 2.557 13.766 1.00 0.00 N ATOM 0 H LYS A 82 0.297 5.679 10.239 1.00 0.00 H new ATOM 0 HA LYS A 82 1.284 8.066 11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.772 7.591 11.208 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.841 7.198 12.640 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.767 4.887 10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.431 5.434 10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.675 4.558 13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.419 5.619 13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.841 3.956 13.672 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.348 3.328 12.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.567 1.773 13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.350 2.895 14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.862 2.225 14.574 1.00 0.00 H new ATOM 1255 N GLU A 83 2.905 6.531 8.804 1.00 0.00 N ATOM 1256 CA GLU A 83 3.222 6.563 7.386 1.00 0.00 C ATOM 1257 C GLU A 83 3.700 5.187 6.918 1.00 0.00 C ATOM 1258 O GLU A 83 4.341 4.457 7.674 1.00 0.00 O ATOM 1259 CB GLU A 83 4.266 7.638 7.082 1.00 0.00 C ATOM 1260 CG GLU A 83 4.069 8.863 7.977 1.00 0.00 C ATOM 1261 CD GLU A 83 4.744 8.663 9.337 1.00 0.00 C ATOM 1262 OE1 GLU A 83 5.523 7.692 9.446 1.00 0.00 O ATOM 1263 OE2 GLU A 83 4.464 9.485 10.236 1.00 0.00 O ATOM 0 H GLU A 83 3.497 5.913 9.359 1.00 0.00 H new ATOM 0 HA GLU A 83 2.316 6.818 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.266 7.231 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.195 7.933 6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.482 9.745 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.004 9.047 8.119 1.00 0.00 H new ATOM 1270 N TYR A 84 3.370 4.873 5.673 1.00 0.00 N ATOM 1271 CA TYR A 84 3.757 3.598 5.095 1.00 0.00 C ATOM 1272 C TYR A 84 4.459 3.796 3.751 1.00 0.00 C ATOM 1273 O TYR A 84 4.242 4.800 3.074 1.00 0.00 O ATOM 1274 CB TYR A 84 2.456 2.824 4.868 1.00 0.00 C ATOM 1275 CG TYR A 84 1.423 3.578 4.028 1.00 0.00 C ATOM 1276 CD1 TYR A 84 1.716 3.927 2.725 1.00 0.00 C ATOM 1277 CD2 TYR A 84 0.199 3.909 4.573 1.00 0.00 C ATOM 1278 CE1 TYR A 84 0.744 4.636 1.933 1.00 0.00 C ATOM 1279 CE2 TYR A 84 -0.773 4.618 3.781 1.00 0.00 C ATOM 1280 CZ TYR A 84 -0.452 4.947 2.501 1.00 0.00 C ATOM 1281 OH TYR A 84 -1.371 5.616 1.754 1.00 0.00 O ATOM 0 H TYR A 84 2.839 5.480 5.049 1.00 0.00 H new ATOM 0 HA TYR A 84 4.447 3.072 5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.688 1.879 4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.016 2.581 5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.674 3.668 2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.030 3.637 5.593 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.960 4.914 0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.735 4.882 4.194 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.235 5.156 1.809 1.00 0.00 H new ATOM 1291 N LEU A 85 5.289 2.823 3.403 1.00 0.00 N ATOM 1292 CA LEU A 85 6.024 2.878 2.151 1.00 0.00 C ATOM 1293 C LEU A 85 5.145 2.332 1.024 1.00 0.00 C ATOM 1294 O LEU A 85 5.586 2.239 -0.121 1.00 0.00 O ATOM 1295 CB LEU A 85 7.367 2.158 2.287 1.00 0.00 C ATOM 1296 CG LEU A 85 7.308 0.718 2.802 1.00 0.00 C ATOM 1297 CD1 LEU A 85 7.433 0.675 4.326 1.00 0.00 C ATOM 1298 CD2 LEU A 85 6.043 0.012 2.310 1.00 0.00 C ATOM 0 H LEU A 85 5.468 1.992 3.967 1.00 0.00 H new ATOM 0 HA LEU A 85 6.266 3.910 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.855 2.154 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.001 2.737 2.959 1.00 0.00 H new ATOM 0 HG LEU A 85 8.160 0.174 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.388 -0.360 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.385 1.114 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.616 1.240 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.025 -1.010 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.164 0.548 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.037 -0.006 1.220 1.00 0.00 H new ATOM 1310 N ILE A 86 3.920 1.984 1.387 1.00 0.00 N ATOM 1311 CA ILE A 86 2.976 1.451 0.420 1.00 0.00 C ATOM 1312 C ILE A 86 3.711 1.138 -0.884 1.00 0.00 C ATOM 1313 O ILE A 86 4.011 2.041 -1.664 1.00 0.00 O ATOM 1314 CB ILE A 86 1.791 2.404 0.246 1.00 0.00 C ATOM 1315 CG1 ILE A 86 0.534 1.843 0.915 1.00 0.00 C ATOM 1316 CG2 ILE A 86 1.559 2.724 -1.232 1.00 0.00 C ATOM 1317 CD1 ILE A 86 0.833 1.374 2.341 1.00 0.00 C ATOM 0 H ILE A 86 3.559 2.061 2.338 1.00 0.00 H new ATOM 0 HA ILE A 86 2.551 0.514 0.779 1.00 0.00 H new ATOM 0 HB ILE A 86 2.030 3.343 0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.243 2.607 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.147 1.010 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.712 3.403 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.450 3.195 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.349 1.803 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.077 0.980 2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.593 0.593 2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.197 2.215 2.932 1.00 0.00 H new ATOM 1329 N ALA A 87 3.978 -0.144 -1.082 1.00 0.00 N ATOM 1330 CA ALA A 87 4.672 -0.588 -2.280 1.00 0.00 C ATOM 1331 C ALA A 87 3.855 -1.689 -2.959 1.00 0.00 C ATOM 1332 O ALA A 87 3.745 -2.797 -2.436 1.00 0.00 O ATOM 1333 CB ALA A 87 6.082 -1.052 -1.910 1.00 0.00 C ATOM 0 H ALA A 87 3.727 -0.890 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 87 4.774 0.232 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.603 -1.385 -2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.630 -0.225 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.019 -1.877 -1.200 1.00 0.00 H new ATOM 1339 N GLY A 88 3.304 -1.346 -4.114 1.00 0.00 N ATOM 1340 CA GLY A 88 2.501 -2.291 -4.871 1.00 0.00 C ATOM 1341 C GLY A 88 2.737 -2.133 -6.373 1.00 0.00 C ATOM 1342 O GLY A 88 3.532 -1.294 -6.795 1.00 0.00 O ATOM 0 H GLY A 88 3.398 -0.426 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.747 -3.308 -4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.445 -2.137 -4.647 1.00 0.00 H new ATOM 1346 N LYS A 89 2.032 -2.950 -7.141 1.00 0.00 N ATOM 1347 CA LYS A 89 2.154 -2.911 -8.588 1.00 0.00 C ATOM 1348 C LYS A 89 1.848 -1.496 -9.084 1.00 0.00 C ATOM 1349 O LYS A 89 2.276 -1.108 -10.169 1.00 0.00 O ATOM 1350 CB LYS A 89 1.281 -3.990 -9.230 1.00 0.00 C ATOM 1351 CG LYS A 89 1.974 -4.605 -10.447 1.00 0.00 C ATOM 1352 CD LYS A 89 1.463 -6.024 -10.710 1.00 0.00 C ATOM 1353 CE LYS A 89 2.424 -6.791 -11.619 1.00 0.00 C ATOM 1354 NZ LYS A 89 1.777 -7.103 -12.914 1.00 0.00 N ATOM 0 H LYS A 89 1.373 -3.644 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 89 3.176 -3.141 -8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.063 -4.769 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.326 -3.559 -9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.797 -3.982 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.052 -4.627 -10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.349 -6.555 -9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.477 -5.980 -11.172 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.323 -6.199 -11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.737 -7.714 -11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.444 -7.624 -13.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.932 -7.686 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.500 -6.218 -13.386 1.00 0.00 H new ATOM 1368 N ALA A 90 1.109 -0.763 -8.264 1.00 0.00 N ATOM 1369 CA ALA A 90 0.740 0.600 -8.604 1.00 0.00 C ATOM 1370 C ALA A 90 -0.383 0.575 -9.644 1.00 0.00 C ATOM 1371 O ALA A 90 -0.801 -0.494 -10.086 1.00 0.00 O ATOM 1372 CB ALA A 90 1.976 1.355 -9.098 1.00 0.00 C ATOM 0 H ALA A 90 0.756 -1.088 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 90 0.365 1.127 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.700 2.378 -9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.732 1.369 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.378 0.857 -9.980 1.00 0.00 H new ATOM 1378 N GLU A 91 -0.838 1.766 -10.005 1.00 0.00 N ATOM 1379 CA GLU A 91 -1.904 1.893 -10.984 1.00 0.00 C ATOM 1380 C GLU A 91 -1.571 2.998 -11.990 1.00 0.00 C ATOM 1381 O GLU A 91 -1.789 2.837 -13.189 1.00 0.00 O ATOM 1382 CB GLU A 91 -3.246 2.162 -10.301 1.00 0.00 C ATOM 1383 CG GLU A 91 -4.408 1.648 -11.155 1.00 0.00 C ATOM 1384 CD GLU A 91 -4.231 0.165 -11.486 1.00 0.00 C ATOM 1385 OE1 GLU A 91 -3.649 -0.541 -10.635 1.00 0.00 O ATOM 1386 OE2 GLU A 91 -4.684 -0.230 -12.582 1.00 0.00 O ATOM 0 H GLU A 91 -0.488 2.651 -9.637 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.990 0.950 -11.523 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.265 1.677 -9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.362 3.232 -10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.348 1.796 -10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.469 2.225 -12.077 1.00 0.00 H new ATOM 1393 N GLY A 92 -1.047 4.095 -11.463 1.00 0.00 N ATOM 1394 CA GLY A 92 -0.681 5.225 -12.300 1.00 0.00 C ATOM 1395 C GLY A 92 -0.435 6.477 -11.455 1.00 0.00 C ATOM 1396 O GLY A 92 -1.291 6.876 -10.666 1.00 0.00 O ATOM 0 H GLY A 92 -0.867 4.225 -10.467 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.217 4.984 -12.870 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.474 5.419 -13.022 1.00 0.00 H new ATOM 1400 N ASP A 93 0.738 7.062 -11.648 1.00 0.00 N ATOM 1401 CA ASP A 93 1.107 8.259 -10.913 1.00 0.00 C ATOM 1402 C ASP A 93 -0.161 8.989 -10.465 1.00 0.00 C ATOM 1403 O ASP A 93 -1.089 9.168 -11.252 1.00 0.00 O ATOM 1404 CB ASP A 93 1.918 9.216 -11.790 1.00 0.00 C ATOM 1405 CG ASP A 93 3.349 8.765 -12.086 1.00 0.00 C ATOM 1406 OD1 ASP A 93 3.523 7.554 -12.342 1.00 0.00 O ATOM 1407 OD2 ASP A 93 4.240 9.643 -12.049 1.00 0.00 O ATOM 0 H ASP A 93 1.445 6.729 -12.303 1.00 0.00 H new ATOM 0 HA ASP A 93 1.709 7.956 -10.056 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.393 9.352 -12.735 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.954 10.190 -11.302 1.00 0.00 H new ATOM 1412 N GLY A 94 -0.159 9.389 -9.202 1.00 0.00 N ATOM 1413 CA GLY A 94 -1.298 10.096 -8.640 1.00 0.00 C ATOM 1414 C GLY A 94 -2.339 9.113 -8.098 1.00 0.00 C ATOM 1415 O GLY A 94 -3.324 9.523 -7.485 1.00 0.00 O ATOM 0 H GLY A 94 0.612 9.237 -8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.963 10.755 -7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.752 10.728 -9.404 1.00 0.00 H new ATOM 1419 N LYS A 95 -2.086 7.837 -8.346 1.00 0.00 N ATOM 1420 CA LYS A 95 -2.989 6.793 -7.891 1.00 0.00 C ATOM 1421 C LYS A 95 -2.373 5.425 -8.191 1.00 0.00 C ATOM 1422 O LYS A 95 -1.726 5.244 -9.221 1.00 0.00 O ATOM 1423 CB LYS A 95 -4.380 6.987 -8.498 1.00 0.00 C ATOM 1424 CG LYS A 95 -4.386 6.623 -9.984 1.00 0.00 C ATOM 1425 CD LYS A 95 -3.861 7.780 -10.834 1.00 0.00 C ATOM 1426 CE LYS A 95 -3.346 7.279 -12.186 1.00 0.00 C ATOM 1427 NZ LYS A 95 -4.256 7.697 -13.275 1.00 0.00 N ATOM 0 H LYS A 95 -1.269 7.502 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.126 6.851 -6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.102 6.368 -7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.694 8.023 -8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.771 5.738 -10.148 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.399 6.369 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.655 8.510 -10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.059 8.292 -10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.346 7.672 -12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.263 6.192 -12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.892 7.349 -14.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.203 7.301 -13.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.314 8.735 -13.300 1.00 0.00 H new ATOM 1441 N MET A 96 -2.595 4.497 -7.272 1.00 0.00 N ATOM 1442 CA MET A 96 -2.070 3.151 -7.424 1.00 0.00 C ATOM 1443 C MET A 96 -2.994 2.124 -6.767 1.00 0.00 C ATOM 1444 O MET A 96 -4.109 2.454 -6.365 1.00 0.00 O ATOM 1445 CB MET A 96 -0.681 3.071 -6.787 1.00 0.00 C ATOM 1446 CG MET A 96 -0.558 4.043 -5.613 1.00 0.00 C ATOM 1447 SD MET A 96 0.147 3.210 -4.201 1.00 0.00 S ATOM 1448 CE MET A 96 1.693 4.091 -4.060 1.00 0.00 C ATOM 0 H MET A 96 -3.132 4.651 -6.419 1.00 0.00 H new ATOM 0 HA MET A 96 -2.005 2.924 -8.488 1.00 0.00 H new ATOM 0 HB2 MET A 96 -0.493 2.054 -6.443 1.00 0.00 H new ATOM 0 HB3 MET A 96 0.079 3.300 -7.534 1.00 0.00 H new ATOM 0 HG2 MET A 96 0.067 4.890 -5.895 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.539 4.443 -5.357 1.00 0.00 H new ATOM 0 HE1 MET A 96 2.508 3.378 -3.935 1.00 0.00 H new ATOM 0 HE2 MET A 96 1.860 4.679 -4.962 1.00 0.00 H new ATOM 0 HE3 MET A 96 1.656 4.755 -3.196 1.00 0.00 H new ATOM 1458 N HIS A 97 -2.495 0.900 -6.677 1.00 0.00 N ATOM 1459 CA HIS A 97 -3.263 -0.178 -6.076 1.00 0.00 C ATOM 1460 C HIS A 97 -2.415 -0.879 -5.012 1.00 0.00 C ATOM 1461 O HIS A 97 -1.276 -1.260 -5.273 1.00 0.00 O ATOM 1462 CB HIS A 97 -3.783 -1.138 -7.147 1.00 0.00 C ATOM 1463 CG HIS A 97 -5.286 -1.138 -7.293 1.00 0.00 C ATOM 1464 ND1 HIS A 97 -5.995 -2.239 -7.742 1.00 0.00 N ATOM 1465 CD2 HIS A 97 -6.206 -0.163 -7.045 1.00 0.00 C ATOM 1466 CE1 HIS A 97 -7.282 -1.928 -7.760 1.00 0.00 C ATOM 1467 NE2 HIS A 97 -7.411 -0.641 -7.329 1.00 0.00 N ATOM 0 H HIS A 97 -1.569 0.631 -7.010 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.143 0.230 -5.580 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -3.335 -0.875 -8.105 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.451 -2.148 -6.907 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.991 0.830 -6.679 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -8.088 -2.580 -8.063 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -8.289 -0.130 -7.240 1.00 0.00 H new ATOM 1475 N ILE A 98 -3.006 -1.027 -3.835 1.00 0.00 N ATOM 1476 CA ILE A 98 -2.319 -1.676 -2.731 1.00 0.00 C ATOM 1477 C ILE A 98 -3.310 -2.557 -1.967 1.00 0.00 C ATOM 1478 O ILE A 98 -4.469 -2.186 -1.792 1.00 0.00 O ATOM 1479 CB ILE A 98 -1.617 -0.638 -1.852 1.00 0.00 C ATOM 1480 CG1 ILE A 98 -2.634 0.220 -1.098 1.00 0.00 C ATOM 1481 CG2 ILE A 98 -0.649 0.213 -2.678 1.00 0.00 C ATOM 1482 CD1 ILE A 98 -1.974 1.478 -0.527 1.00 0.00 C ATOM 0 H ILE A 98 -3.952 -0.709 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.531 -2.330 -3.105 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.025 -1.166 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.445 0.503 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.077 -0.361 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.163 0.943 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.106 -0.430 -3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.200 0.733 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.719 2.070 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.180 1.191 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.553 2.069 -1.340 1.00 0.00 H new ATOM 1494 N THR A 99 -2.817 -3.708 -1.534 1.00 0.00 N ATOM 1495 CA THR A 99 -3.644 -4.645 -0.793 1.00 0.00 C ATOM 1496 C THR A 99 -2.847 -5.271 0.354 1.00 0.00 C ATOM 1497 O THR A 99 -1.620 -5.204 0.368 1.00 0.00 O ATOM 1498 CB THR A 99 -4.194 -5.675 -1.783 1.00 0.00 C ATOM 1499 OG1 THR A 99 -3.180 -5.776 -2.778 1.00 0.00 O ATOM 1500 CG2 THR A 99 -5.415 -5.158 -2.547 1.00 0.00 C ATOM 0 H THR A 99 -1.855 -4.013 -1.682 1.00 0.00 H new ATOM 0 HA THR A 99 -4.488 -4.140 -0.323 1.00 0.00 H new ATOM 0 HB THR A 99 -4.459 -6.587 -1.248 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.940 -6.717 -2.906 1.00 0.00 H new ATOM 0 HG21 THR A 99 -5.766 -5.927 -3.236 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.209 -4.913 -1.841 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.141 -4.265 -3.109 1.00 0.00 H new ATOM 1508 N LEU A 100 -3.579 -5.863 1.286 1.00 0.00 N ATOM 1509 CA LEU A 100 -2.956 -6.499 2.434 1.00 0.00 C ATOM 1510 C LEU A 100 -1.980 -7.574 1.948 1.00 0.00 C ATOM 1511 O LEU A 100 -0.870 -7.688 2.464 1.00 0.00 O ATOM 1512 CB LEU A 100 -4.019 -7.024 3.399 1.00 0.00 C ATOM 1513 CG LEU A 100 -4.528 -8.442 3.129 1.00 0.00 C ATOM 1514 CD1 LEU A 100 -5.003 -9.110 4.421 1.00 0.00 C ATOM 1515 CD2 LEU A 100 -5.615 -8.439 2.053 1.00 0.00 C ATOM 0 H LEU A 100 -4.598 -5.916 1.270 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.375 -5.773 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.612 -6.992 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.870 -6.343 3.376 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.697 -9.035 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.359 -10.116 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.175 -9.165 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.813 -8.525 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.959 -9.459 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.452 -7.824 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.209 -8.032 1.127 1.00 0.00 H new ATOM 1527 N CYS A 101 -2.432 -8.334 0.962 1.00 0.00 N ATOM 1528 CA CYS A 101 -1.613 -9.396 0.401 1.00 0.00 C ATOM 1529 C CYS A 101 -0.389 -8.760 -0.261 1.00 0.00 C ATOM 1530 O CYS A 101 0.693 -9.346 -0.267 1.00 0.00 O ATOM 1531 CB CYS A 101 -2.406 -10.264 -0.579 1.00 0.00 C ATOM 1532 SG CYS A 101 -2.005 -12.048 -0.520 1.00 0.00 S ATOM 0 H CYS A 101 -3.354 -8.236 0.537 1.00 0.00 H new ATOM 0 HA CYS A 101 -1.287 -10.066 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -3.469 -10.138 -0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -2.229 -9.899 -1.591 1.00 0.00 H new ATOM 1537 N ASP A 102 -0.601 -7.570 -0.804 1.00 0.00 N ATOM 1538 CA ASP A 102 0.471 -6.848 -1.467 1.00 0.00 C ATOM 1539 C ASP A 102 1.423 -6.275 -0.414 1.00 0.00 C ATOM 1540 O ASP A 102 1.100 -6.251 0.772 1.00 0.00 O ATOM 1541 CB ASP A 102 -0.077 -5.682 -2.293 1.00 0.00 C ATOM 1542 CG ASP A 102 0.746 -5.324 -3.532 1.00 0.00 C ATOM 1543 OD1 ASP A 102 1.983 -5.487 -3.458 1.00 0.00 O ATOM 1544 OD2 ASP A 102 0.118 -4.896 -4.525 1.00 0.00 O ATOM 0 H ASP A 102 -1.500 -7.088 -0.798 1.00 0.00 H new ATOM 0 HA ASP A 102 0.988 -7.545 -2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -1.092 -5.925 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.143 -4.802 -1.653 1.00 0.00 H new ATOM 1549 N PHE A 103 2.578 -5.830 -0.886 1.00 0.00 N ATOM 1550 CA PHE A 103 3.578 -5.260 -0.001 1.00 0.00 C ATOM 1551 C PHE A 103 3.126 -3.899 0.532 1.00 0.00 C ATOM 1552 O PHE A 103 2.928 -2.961 -0.238 1.00 0.00 O ATOM 1553 CB PHE A 103 4.852 -5.073 -0.826 1.00 0.00 C ATOM 1554 CG PHE A 103 5.878 -4.134 -0.186 1.00 0.00 C ATOM 1555 CD1 PHE A 103 5.846 -3.907 1.155 1.00 0.00 C ATOM 1556 CD2 PHE A 103 6.819 -3.528 -0.957 1.00 0.00 C ATOM 1557 CE1 PHE A 103 6.797 -3.037 1.749 1.00 0.00 C ATOM 1558 CE2 PHE A 103 7.770 -2.657 -0.363 1.00 0.00 C ATOM 1559 CZ PHE A 103 7.739 -2.430 0.979 1.00 0.00 C ATOM 0 H PHE A 103 2.843 -5.853 -1.871 1.00 0.00 H new ATOM 0 HA PHE A 103 3.739 -5.920 0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.316 -6.047 -0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.583 -4.684 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.098 -4.388 1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 103 6.843 -3.709 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.772 -2.857 2.814 1.00 0.00 H new ATOM 0 HE2 PHE A 103 8.518 -2.175 -0.975 1.00 0.00 H new ATOM 0 HZ PHE A 103 8.462 -1.768 1.432 1.00 0.00 H new ATOM 1569 N ILE A 104 2.976 -3.834 1.847 1.00 0.00 N ATOM 1570 CA ILE A 104 2.551 -2.603 2.493 1.00 0.00 C ATOM 1571 C ILE A 104 2.824 -2.700 3.995 1.00 0.00 C ATOM 1572 O ILE A 104 2.518 -3.714 4.622 1.00 0.00 O ATOM 1573 CB ILE A 104 1.091 -2.297 2.151 1.00 0.00 C ATOM 1574 CG1 ILE A 104 0.235 -3.562 2.216 1.00 0.00 C ATOM 1575 CG2 ILE A 104 0.980 -1.597 0.795 1.00 0.00 C ATOM 1576 CD1 ILE A 104 -1.242 -3.238 1.984 1.00 0.00 C ATOM 0 H ILE A 104 3.141 -4.614 2.483 1.00 0.00 H new ATOM 0 HA ILE A 104 3.127 -1.757 2.119 1.00 0.00 H new ATOM 0 HB ILE A 104 0.702 -1.608 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.577 -4.275 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.358 -4.039 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.068 -1.391 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.536 -0.660 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.393 -2.241 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.828 -4.155 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.587 -2.544 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.365 -2.784 1.001 1.00 0.00 H new ATOM 1588 N VAL A 105 3.397 -1.632 4.530 1.00 0.00 N ATOM 1589 CA VAL A 105 3.715 -1.583 5.947 1.00 0.00 C ATOM 1590 C VAL A 105 3.766 -0.124 6.404 1.00 0.00 C ATOM 1591 O VAL A 105 3.975 0.777 5.594 1.00 0.00 O ATOM 1592 CB VAL A 105 5.017 -2.340 6.217 1.00 0.00 C ATOM 1593 CG1 VAL A 105 4.735 -3.717 6.823 1.00 0.00 C ATOM 1594 CG2 VAL A 105 5.854 -2.463 4.943 1.00 0.00 C ATOM 0 H VAL A 105 3.649 -0.793 4.007 1.00 0.00 H new ATOM 0 HA VAL A 105 2.939 -2.079 6.530 1.00 0.00 H new ATOM 0 HB VAL A 105 5.594 -1.766 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.677 -4.234 7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.199 -3.597 7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.128 -4.301 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.774 -3.005 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.286 -3.004 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 105 6.099 -1.468 4.571 1.00 0.00 H new ATOM 1604 N PRO A 106 3.565 0.068 7.735 1.00 0.00 N ATOM 1605 CA PRO A 106 3.586 1.402 8.310 1.00 0.00 C ATOM 1606 C PRO A 106 5.017 1.933 8.414 1.00 0.00 C ATOM 1607 O PRO A 106 5.260 2.952 9.057 1.00 0.00 O ATOM 1608 CB PRO A 106 2.906 1.259 9.663 1.00 0.00 C ATOM 1609 CG PRO A 106 2.947 -0.224 9.994 1.00 0.00 C ATOM 1610 CD PRO A 106 3.315 -0.975 8.725 1.00 0.00 C ATOM 0 HA PRO A 106 3.065 2.133 7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.423 1.844 10.424 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.879 1.623 9.625 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.678 -0.420 10.779 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.980 -0.558 10.368 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.197 -1.598 8.875 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.508 -1.636 8.408 1.00 0.00 H new ATOM 1618 N TRP A 107 5.928 1.216 7.771 1.00 0.00 N ATOM 1619 CA TRP A 107 7.329 1.601 7.783 1.00 0.00 C ATOM 1620 C TRP A 107 7.881 1.338 9.186 1.00 0.00 C ATOM 1621 O TRP A 107 8.818 0.560 9.352 1.00 0.00 O ATOM 1622 CB TRP A 107 7.501 3.055 7.336 1.00 0.00 C ATOM 1623 CG TRP A 107 8.950 3.446 7.039 1.00 0.00 C ATOM 1624 CD1 TRP A 107 9.800 2.871 6.176 1.00 0.00 C ATOM 1625 CD2 TRP A 107 9.690 4.529 7.641 1.00 0.00 C ATOM 1626 NE1 TRP A 107 11.027 3.502 6.178 1.00 0.00 N ATOM 1627 CE2 TRP A 107 10.958 4.542 7.098 1.00 0.00 C ATOM 1628 CE3 TRP A 107 9.299 5.467 8.613 1.00 0.00 C ATOM 1629 CZ2 TRP A 107 11.940 5.471 7.464 1.00 0.00 C ATOM 1630 CZ3 TRP A 107 10.291 6.388 8.968 1.00 0.00 C ATOM 1631 CH2 TRP A 107 11.573 6.415 8.431 1.00 0.00 C ATOM 0 H TRP A 107 5.723 0.371 7.238 1.00 0.00 H new ATOM 0 HA TRP A 107 7.898 1.006 7.069 1.00 0.00 H new ATOM 0 HB2 TRP A 107 6.899 3.224 6.443 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.110 3.712 8.113 1.00 0.00 H new ATOM 0 HD1 TRP A 107 9.555 2.021 5.557 1.00 0.00 H new ATOM 0 HE1 TRP A 107 11.836 3.252 5.609 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.312 5.476 9.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 12.926 5.460 7.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 10.043 7.131 9.712 1.00 0.00 H new ATOM 0 HH2 TRP A 107 12.283 7.161 8.758 1.00 0.00 H new ATOM 1642 N ASP A 108 7.274 2.001 10.159 1.00 0.00 N ATOM 1643 CA ASP A 108 7.692 1.848 11.542 1.00 0.00 C ATOM 1644 C ASP A 108 7.341 0.439 12.024 1.00 0.00 C ATOM 1645 O ASP A 108 6.705 0.276 13.064 1.00 0.00 O ATOM 1646 CB ASP A 108 6.975 2.850 12.448 1.00 0.00 C ATOM 1647 CG ASP A 108 7.220 2.659 13.946 1.00 0.00 C ATOM 1648 OD1 ASP A 108 8.224 1.991 14.276 1.00 0.00 O ATOM 1649 OD2 ASP A 108 6.399 3.184 14.728 1.00 0.00 O ATOM 0 H ASP A 108 6.496 2.645 10.017 1.00 0.00 H new ATOM 0 HA ASP A 108 8.767 2.023 11.590 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.287 3.857 12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.903 2.785 12.259 1.00 0.00 H new ATOM 1654 N THR A 109 7.769 -0.543 11.244 1.00 0.00 N ATOM 1655 CA THR A 109 7.508 -1.933 11.579 1.00 0.00 C ATOM 1656 C THR A 109 8.500 -2.850 10.860 1.00 0.00 C ATOM 1657 O THR A 109 9.158 -3.675 11.492 1.00 0.00 O ATOM 1658 CB THR A 109 6.047 -2.233 11.239 1.00 0.00 C ATOM 1659 OG1 THR A 109 5.839 -1.580 9.990 1.00 0.00 O ATOM 1660 CG2 THR A 109 5.070 -1.538 12.191 1.00 0.00 C ATOM 0 H THR A 109 8.295 -0.404 10.381 1.00 0.00 H new ATOM 0 HA THR A 109 7.655 -2.119 12.643 1.00 0.00 H new ATOM 0 HB THR A 109 5.881 -3.310 11.271 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.038 -2.201 9.259 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.047 -1.784 11.906 1.00 0.00 H new ATOM 0 HG22 THR A 109 5.253 -1.876 13.211 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.213 -0.459 12.135 1.00 0.00 H new ATOM 1668 N LEU A 110 8.576 -2.674 9.548 1.00 0.00 N ATOM 1669 CA LEU A 110 9.475 -3.475 8.737 1.00 0.00 C ATOM 1670 C LEU A 110 10.100 -4.570 9.606 1.00 0.00 C ATOM 1671 O LEU A 110 9.434 -5.539 9.964 1.00 0.00 O ATOM 1672 CB LEU A 110 10.504 -2.584 8.038 1.00 0.00 C ATOM 1673 CG LEU A 110 9.936 -1.461 7.168 1.00 0.00 C ATOM 1674 CD1 LEU A 110 11.034 -0.481 6.752 1.00 0.00 C ATOM 1675 CD2 LEU A 110 9.188 -2.029 5.959 1.00 0.00 C ATOM 0 H LEU A 110 8.029 -1.988 9.028 1.00 0.00 H new ATOM 0 HA LEU A 110 8.925 -3.974 7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.146 -2.139 8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.138 -3.215 7.415 1.00 0.00 H new ATOM 0 HG LEU A 110 9.213 -0.902 7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.603 0.307 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 110 11.484 -0.040 7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.798 -1.011 6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.794 -1.210 5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.872 -2.626 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.365 -2.656 6.302 1.00 0.00 H new ATOM 1687 N SER A 111 11.373 -4.378 9.918 1.00 0.00 N ATOM 1688 CA SER A 111 12.095 -5.336 10.738 1.00 0.00 C ATOM 1689 C SER A 111 13.562 -5.395 10.306 1.00 0.00 C ATOM 1690 O SER A 111 14.458 -5.461 11.146 1.00 0.00 O ATOM 1691 CB SER A 111 11.460 -6.725 10.650 1.00 0.00 C ATOM 1692 OG SER A 111 10.425 -6.902 11.614 1.00 0.00 O ATOM 0 H SER A 111 11.923 -3.573 9.618 1.00 0.00 H new ATOM 0 HA SER A 111 12.042 -5.006 11.776 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.053 -6.875 9.650 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.228 -7.484 10.799 1.00 0.00 H new ATOM 0 HG SER A 111 9.574 -6.588 11.242 1.00 0.00 H new ATOM 1698 N THR A 112 13.761 -5.368 8.996 1.00 0.00 N ATOM 1699 CA THR A 112 15.103 -5.417 8.442 1.00 0.00 C ATOM 1700 C THR A 112 15.064 -5.907 6.993 1.00 0.00 C ATOM 1701 O THR A 112 15.487 -5.196 6.083 1.00 0.00 O ATOM 1702 CB THR A 112 15.961 -6.293 9.358 1.00 0.00 C ATOM 1703 OG1 THR A 112 16.650 -5.361 10.186 1.00 0.00 O ATOM 1704 CG2 THR A 112 17.077 -7.015 8.599 1.00 0.00 C ATOM 0 H THR A 112 13.015 -5.313 8.303 1.00 0.00 H new ATOM 0 HA THR A 112 15.552 -4.425 8.404 1.00 0.00 H new ATOM 0 HB THR A 112 15.327 -7.027 9.856 1.00 0.00 H new ATOM 0 HG1 THR A 112 16.085 -5.123 10.951 1.00 0.00 H new ATOM 0 HG21 THR A 112 17.656 -7.623 9.295 1.00 0.00 H new ATOM 0 HG22 THR A 112 16.640 -7.656 7.833 1.00 0.00 H new ATOM 0 HG23 THR A 112 17.731 -6.281 8.128 1.00 0.00 H new ATOM 1712 N THR A 113 14.555 -7.118 6.825 1.00 0.00 N ATOM 1713 CA THR A 113 14.455 -7.711 5.502 1.00 0.00 C ATOM 1714 C THR A 113 13.724 -6.766 4.547 1.00 0.00 C ATOM 1715 O THR A 113 13.898 -6.848 3.332 1.00 0.00 O ATOM 1716 CB THR A 113 13.776 -9.075 5.646 1.00 0.00 C ATOM 1717 OG1 THR A 113 14.713 -9.854 6.381 1.00 0.00 O ATOM 1718 CG2 THR A 113 13.648 -9.808 4.309 1.00 0.00 C ATOM 0 H THR A 113 14.207 -7.705 7.583 1.00 0.00 H new ATOM 0 HA THR A 113 15.440 -7.867 5.063 1.00 0.00 H new ATOM 0 HB THR A 113 12.787 -8.944 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 113 14.352 -10.754 6.521 1.00 0.00 H new ATOM 0 HG21 THR A 113 13.160 -10.770 4.467 1.00 0.00 H new ATOM 0 HG22 THR A 113 13.053 -9.208 3.620 1.00 0.00 H new ATOM 0 HG23 THR A 113 14.640 -9.969 3.886 1.00 0.00 H new ATOM 1726 N GLN A 114 12.922 -5.888 5.132 1.00 0.00 N ATOM 1727 CA GLN A 114 12.165 -4.928 4.349 1.00 0.00 C ATOM 1728 C GLN A 114 13.009 -3.680 4.077 1.00 0.00 C ATOM 1729 O GLN A 114 12.924 -3.091 3.001 1.00 0.00 O ATOM 1730 CB GLN A 114 10.854 -4.560 5.049 1.00 0.00 C ATOM 1731 CG GLN A 114 9.742 -5.544 4.680 1.00 0.00 C ATOM 1732 CD GLN A 114 9.670 -6.693 5.689 1.00 0.00 C ATOM 1733 OE1 GLN A 114 8.681 -6.892 6.374 1.00 0.00 O ATOM 1734 NE2 GLN A 114 10.773 -7.437 5.741 1.00 0.00 N ATOM 0 H GLN A 114 12.781 -5.822 6.140 1.00 0.00 H new ATOM 0 HA GLN A 114 11.912 -5.388 3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.001 -4.560 6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 114 10.558 -3.549 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 114 8.785 -5.022 4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 114 9.921 -5.943 3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.566 -7.216 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.825 -8.228 6.382 1.00 0.00 H new ATOM 1743 N LYS A 115 13.805 -3.315 5.071 1.00 0.00 N ATOM 1744 CA LYS A 115 14.664 -2.149 4.953 1.00 0.00 C ATOM 1745 C LYS A 115 15.767 -2.437 3.932 1.00 0.00 C ATOM 1746 O LYS A 115 16.125 -1.567 3.139 1.00 0.00 O ATOM 1747 CB LYS A 115 15.190 -1.730 6.327 1.00 0.00 C ATOM 1748 CG LYS A 115 14.400 -0.541 6.876 1.00 0.00 C ATOM 1749 CD LYS A 115 14.307 -0.603 8.402 1.00 0.00 C ATOM 1750 CE LYS A 115 13.792 -1.967 8.865 1.00 0.00 C ATOM 1751 NZ LYS A 115 13.251 -1.878 10.240 1.00 0.00 N ATOM 0 H LYS A 115 13.873 -3.806 5.962 1.00 0.00 H new ATOM 0 HA LYS A 115 14.099 -1.294 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.119 -2.569 7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.245 -1.467 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.880 0.390 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.398 -0.536 6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.288 -0.414 8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.642 0.182 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.016 -2.319 8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.600 -2.698 8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.222 -2.827 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.861 -1.261 10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.289 -1.483 10.210 1.00 0.00 H new ATOM 1765 N LYS A 116 16.277 -3.658 3.987 1.00 0.00 N ATOM 1766 CA LYS A 116 17.333 -4.070 3.078 1.00 0.00 C ATOM 1767 C LYS A 116 16.807 -4.030 1.641 1.00 0.00 C ATOM 1768 O LYS A 116 17.588 -4.026 0.691 1.00 0.00 O ATOM 1769 CB LYS A 116 17.893 -5.433 3.490 1.00 0.00 C ATOM 1770 CG LYS A 116 16.777 -6.474 3.597 1.00 0.00 C ATOM 1771 CD LYS A 116 17.275 -7.858 3.174 1.00 0.00 C ATOM 1772 CE LYS A 116 16.299 -8.517 2.198 1.00 0.00 C ATOM 1773 NZ LYS A 116 16.533 -9.978 2.138 1.00 0.00 N ATOM 0 H LYS A 116 15.979 -4.376 4.647 1.00 0.00 H new ATOM 0 HA LYS A 116 18.173 -3.377 3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 116 18.633 -5.762 2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 116 18.406 -5.345 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 116 16.409 -6.514 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.937 -6.178 2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 116 18.256 -7.769 2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 116 17.397 -8.489 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 116 15.274 -8.319 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.419 -8.082 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.745 -10.436 1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.421 -10.167 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.597 -10.359 3.103 1.00 0.00 H new ATOM 1787 N SER A 117 15.488 -4.001 1.528 1.00 0.00 N ATOM 1788 CA SER A 117 14.849 -3.961 0.224 1.00 0.00 C ATOM 1789 C SER A 117 14.537 -2.514 -0.162 1.00 0.00 C ATOM 1790 O SER A 117 14.241 -2.227 -1.321 1.00 0.00 O ATOM 1791 CB SER A 117 13.570 -4.801 0.211 1.00 0.00 C ATOM 1792 OG SER A 117 13.518 -5.677 -0.911 1.00 0.00 O ATOM 0 H SER A 117 14.844 -4.004 2.319 1.00 0.00 H new ATOM 0 HA SER A 117 15.538 -4.385 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.510 -5.385 1.130 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.703 -4.141 0.196 1.00 0.00 H new ATOM 0 HG SER A 117 13.385 -5.154 -1.729 1.00 0.00 H new ATOM 1798 N LEU A 118 14.616 -1.640 0.831 1.00 0.00 N ATOM 1799 CA LEU A 118 14.346 -0.229 0.609 1.00 0.00 C ATOM 1800 C LEU A 118 15.469 0.373 -0.236 1.00 0.00 C ATOM 1801 O LEU A 118 15.244 1.319 -0.991 1.00 0.00 O ATOM 1802 CB LEU A 118 14.126 0.490 1.942 1.00 0.00 C ATOM 1803 CG LEU A 118 12.832 0.147 2.684 1.00 0.00 C ATOM 1804 CD1 LEU A 118 12.687 0.990 3.952 1.00 0.00 C ATOM 1805 CD2 LEU A 118 11.619 0.284 1.761 1.00 0.00 C ATOM 0 H LEU A 118 14.863 -1.881 1.791 1.00 0.00 H new ATOM 0 HA LEU A 118 13.420 -0.101 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.968 0.265 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.143 1.565 1.760 1.00 0.00 H new ATOM 0 HG LEU A 118 12.883 -0.896 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.759 0.726 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.531 0.798 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.667 2.047 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.712 0.035 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.552 1.309 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 118 11.727 -0.395 0.915 1.00 0.00 H new ATOM 1817 N ASN A 119 16.654 -0.199 -0.084 1.00 0.00 N ATOM 1818 CA ASN A 119 17.813 0.271 -0.824 1.00 0.00 C ATOM 1819 C ASN A 119 17.938 -0.525 -2.125 1.00 0.00 C ATOM 1820 O ASN A 119 18.819 -0.255 -2.939 1.00 0.00 O ATOM 1821 CB ASN A 119 19.099 0.069 -0.021 1.00 0.00 C ATOM 1822 CG ASN A 119 19.407 -1.419 0.156 1.00 0.00 C ATOM 1823 OD1 ASN A 119 19.896 -2.089 -0.740 1.00 0.00 O ATOM 1824 ND2 ASN A 119 19.096 -1.899 1.357 1.00 0.00 N ATOM 0 H ASN A 119 16.837 -0.984 0.541 1.00 0.00 H new ATOM 0 HA ASN A 119 17.677 1.334 -1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 119 19.930 0.558 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 119 19.000 0.542 0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 119 19.264 -2.882 1.573 1.00 0.00 H new ATOM 0 HD22 ASN A 119 18.689 -1.284 2.062 1.00 0.00 H new ATOM 1831 N HIS A 120 17.043 -1.490 -2.279 1.00 0.00 N ATOM 1832 CA HIS A 120 17.043 -2.327 -3.467 1.00 0.00 C ATOM 1833 C HIS A 120 16.303 -1.611 -4.599 1.00 0.00 C ATOM 1834 O HIS A 120 16.016 -2.210 -5.634 1.00 0.00 O ATOM 1835 CB HIS A 120 16.461 -3.708 -3.158 1.00 0.00 C ATOM 1836 CG HIS A 120 17.503 -4.767 -2.886 1.00 0.00 C ATOM 1837 ND1 HIS A 120 18.546 -4.581 -1.997 1.00 0.00 N ATOM 1838 CD2 HIS A 120 17.650 -6.023 -3.397 1.00 0.00 C ATOM 1839 CE1 HIS A 120 19.282 -5.683 -1.980 1.00 0.00 C ATOM 1840 NE2 HIS A 120 18.726 -6.575 -2.849 1.00 0.00 N ATOM 0 H HIS A 120 16.313 -1.711 -1.601 1.00 0.00 H new ATOM 0 HA HIS A 120 18.068 -2.495 -3.799 1.00 0.00 H new ATOM 0 HB2 HIS A 120 15.804 -3.629 -2.292 1.00 0.00 H new ATOM 0 HB3 HIS A 120 15.844 -4.027 -3.998 1.00 0.00 H new ATOM 0 HD1 HIS A 120 18.719 -3.739 -1.448 1.00 0.00 H new ATOM 0 HD2 HIS A 120 17.001 -6.489 -4.124 1.00 0.00 H new ATOM 0 HE1 HIS A 120 20.167 -5.846 -1.383 1.00 0.00 H new ATOM 1848 N ARG A 121 16.015 -0.340 -4.363 1.00 0.00 N ATOM 1849 CA ARG A 121 15.314 0.464 -5.349 1.00 0.00 C ATOM 1850 C ARG A 121 13.972 -0.180 -5.703 1.00 0.00 C ATOM 1851 O ARG A 121 12.934 0.209 -5.170 1.00 0.00 O ATOM 1852 CB ARG A 121 16.147 0.623 -6.623 1.00 0.00 C ATOM 1853 CG ARG A 121 17.075 1.835 -6.524 1.00 0.00 C ATOM 1854 CD ARG A 121 16.287 3.141 -6.645 1.00 0.00 C ATOM 1855 NE ARG A 121 17.157 4.290 -6.308 1.00 0.00 N ATOM 1856 CZ ARG A 121 16.862 5.565 -6.595 1.00 0.00 C ATOM 1857 NH1 ARG A 121 15.717 5.862 -7.224 1.00 0.00 N ATOM 1858 NH2 ARG A 121 17.711 6.543 -6.252 1.00 0.00 N ATOM 0 H ARG A 121 16.254 0.153 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 121 15.145 1.449 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 121 16.737 -0.278 -6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 121 15.486 0.736 -7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 121 17.606 1.814 -5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 121 17.828 1.786 -7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 121 15.902 3.251 -7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 121 15.425 3.119 -5.978 1.00 0.00 H new ATOM 0 HE ARG A 121 18.036 4.099 -5.827 1.00 0.00 H new ATOM 0 HH11 ARG A 121 15.070 5.118 -7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 121 15.492 6.833 -7.443 1.00 0.00 H new ATOM 0 HH21 ARG A 121 18.582 6.317 -5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 121 17.486 7.514 -6.471 1.00 0.00 H new ATOM 1872 N TYR A 122 14.037 -1.154 -6.598 1.00 0.00 N ATOM 1873 CA TYR A 122 12.840 -1.855 -7.029 1.00 0.00 C ATOM 1874 C TYR A 122 13.177 -3.264 -7.523 1.00 0.00 C ATOM 1875 O TYR A 122 13.574 -3.443 -8.673 1.00 0.00 O ATOM 1876 CB TYR A 122 12.270 -1.043 -8.194 1.00 0.00 C ATOM 1877 CG TYR A 122 12.471 -1.693 -9.564 1.00 0.00 C ATOM 1878 CD1 TYR A 122 13.643 -1.481 -10.263 1.00 0.00 C ATOM 1879 CD2 TYR A 122 11.483 -2.492 -10.101 1.00 0.00 C ATOM 1880 CE1 TYR A 122 13.833 -2.094 -11.552 1.00 0.00 C ATOM 1881 CE2 TYR A 122 11.673 -3.104 -11.390 1.00 0.00 C ATOM 1882 CZ TYR A 122 12.839 -2.875 -12.052 1.00 0.00 C ATOM 1883 OH TYR A 122 13.018 -3.453 -13.270 1.00 0.00 O ATOM 0 H TYR A 122 14.900 -1.474 -7.037 1.00 0.00 H new ATOM 0 HA TYR A 122 12.135 -1.952 -6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.203 -0.890 -8.029 1.00 0.00 H new ATOM 0 HB3 TYR A 122 12.736 -0.058 -8.199 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.417 -0.856 -9.843 1.00 0.00 H new ATOM 0 HD2 TYR A 122 10.567 -2.658 -9.554 1.00 0.00 H new ATOM 0 HE1 TYR A 122 14.745 -1.937 -12.109 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.907 -3.731 -11.822 1.00 0.00 H new ATOM 0 HH TYR A 122 12.227 -3.984 -13.500 1.00 0.00 H new ATOM 1893 N GLN A 123 13.008 -4.226 -6.628 1.00 0.00 N ATOM 1894 CA GLN A 123 13.289 -5.613 -6.958 1.00 0.00 C ATOM 1895 C GLN A 123 14.685 -5.740 -7.571 1.00 0.00 C ATOM 1896 O GLN A 123 14.828 -6.167 -8.715 1.00 0.00 O ATOM 1897 CB GLN A 123 12.224 -6.180 -7.898 1.00 0.00 C ATOM 1898 CG GLN A 123 12.588 -7.595 -8.350 1.00 0.00 C ATOM 1899 CD GLN A 123 12.520 -7.719 -9.874 1.00 0.00 C ATOM 1900 OE1 GLN A 123 12.689 -6.760 -10.607 1.00 0.00 O ATOM 1901 NE2 GLN A 123 12.266 -8.951 -10.306 1.00 0.00 N ATOM 0 H GLN A 123 12.680 -4.072 -5.674 1.00 0.00 H new ATOM 0 HA GLN A 123 13.262 -6.197 -6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 123 11.258 -6.193 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.120 -5.532 -8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 123 13.592 -7.843 -8.006 1.00 0.00 H new ATOM 0 HG3 GLN A 123 11.907 -8.313 -7.892 1.00 0.00 H new ATOM 0 HE21 GLN A 123 12.135 -9.709 -9.637 1.00 0.00 H new ATOM 0 HE22 GLN A 123 12.202 -9.138 -11.307 1.00 0.00 H new ATOM 1910 N MET A 124 15.680 -5.361 -6.782 1.00 0.00 N ATOM 1911 CA MET A 124 17.059 -5.426 -7.234 1.00 0.00 C ATOM 1912 C MET A 124 17.517 -6.878 -7.389 1.00 0.00 C ATOM 1913 O MET A 124 18.499 -7.292 -6.776 1.00 0.00 O ATOM 1914 CB MET A 124 17.961 -4.712 -6.225 1.00 0.00 C ATOM 1915 CG MET A 124 18.431 -3.362 -6.770 1.00 0.00 C ATOM 1916 SD MET A 124 20.186 -3.410 -7.090 1.00 0.00 S ATOM 1917 CE MET A 124 20.176 -3.938 -8.795 1.00 0.00 C ATOM 0 H MET A 124 15.558 -5.008 -5.833 1.00 0.00 H new ATOM 0 HA MET A 124 17.127 -4.937 -8.206 1.00 0.00 H new ATOM 0 HB2 MET A 124 17.420 -4.563 -5.290 1.00 0.00 H new ATOM 0 HB3 MET A 124 18.824 -5.337 -5.998 1.00 0.00 H new ATOM 0 HG2 MET A 124 17.892 -3.123 -7.687 1.00 0.00 H new ATOM 0 HG3 MET A 124 18.205 -2.573 -6.053 1.00 0.00 H new ATOM 0 HE1 MET A 124 21.201 -4.020 -9.156 1.00 0.00 H new ATOM 0 HE2 MET A 124 19.685 -4.908 -8.873 1.00 0.00 H new ATOM 0 HE3 MET A 124 19.636 -3.209 -9.399 1.00 0.00 H new ATOM 1927 N GLY A 125 16.781 -7.611 -8.213 1.00 0.00 N ATOM 1928 CA GLY A 125 17.100 -9.008 -8.456 1.00 0.00 C ATOM 1929 C GLY A 125 17.205 -9.783 -7.142 1.00 0.00 C ATOM 1930 O GLY A 125 17.913 -10.788 -7.063 1.00 0.00 O ATOM 0 H GLY A 125 15.966 -7.264 -8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 125 16.331 -9.456 -9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 125 18.041 -9.080 -9.001 1.00 0.00 H new ATOM 1934 N CYS A 126 16.490 -9.290 -6.141 1.00 0.00 N ATOM 1935 CA CYS A 126 16.494 -9.924 -4.834 1.00 0.00 C ATOM 1936 C CYS A 126 16.009 -11.366 -4.998 1.00 0.00 C ATOM 1937 O CYS A 126 15.879 -11.857 -6.118 1.00 0.00 O ATOM 1938 CB CYS A 126 15.646 -9.147 -3.825 1.00 0.00 C ATOM 1939 SG CYS A 126 13.897 -9.680 -3.723 1.00 0.00 S ATOM 0 H CYS A 126 15.904 -8.458 -6.209 1.00 0.00 H new ATOM 0 HA CYS A 126 17.507 -9.926 -4.431 1.00 0.00 H new ATOM 0 HB2 CYS A 126 16.099 -9.245 -2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 126 15.674 -8.089 -4.086 1.00 0.00 H new ATOM 1944 N GLU A 127 15.754 -12.004 -3.865 1.00 0.00 N ATOM 1945 CA GLU A 127 15.286 -13.379 -3.869 1.00 0.00 C ATOM 1946 C GLU A 127 15.039 -13.859 -2.437 1.00 0.00 C ATOM 1947 O GLU A 127 14.767 -13.056 -1.547 1.00 0.00 O ATOM 1948 CB GLU A 127 16.279 -14.293 -4.591 1.00 0.00 C ATOM 1949 CG GLU A 127 15.696 -15.696 -4.776 1.00 0.00 C ATOM 1950 CD GLU A 127 14.799 -15.759 -6.014 1.00 0.00 C ATOM 1951 OE1 GLU A 127 13.686 -15.196 -5.938 1.00 0.00 O ATOM 1952 OE2 GLU A 127 15.248 -16.369 -7.009 1.00 0.00 O ATOM 0 H GLU A 127 15.863 -11.593 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 127 14.342 -13.421 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 127 16.530 -13.868 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 127 17.206 -14.352 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 127 16.505 -16.420 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 127 15.122 -15.974 -3.892 1.00 0.00 H new TER 1959 GLU A 127