USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1100 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 96 TYR OH : rot -169:sc= 0.0196 USER MOD Set 1.2: A 119 TYR OH : rot -142:sc= 1.2 USER MOD Set 2.1: A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 118 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 69 SER OG : rot 60:sc= 0.985 USER MOD Set 3.2: A 102 LYS NZ :NH3+ -149:sc= 1.12 (180deg=-0.259) USER MOD Set 4.1: A 8 GLN : amide:sc=-0.00562 K(o=-0.027,f=-0.71) USER MOD Set 4.2: A 57 ASN : amide:sc= -0.0217 K(o=-0.027,f=-0.71) USER MOD Set 5.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 110 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 13 LYS NZ :NH3+ 136:sc= 1.27 (180deg=0.431) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0825 F(o=-1.4!,f=-0.083) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 24 ASN : amide:sc= 0.44 K(o=0.44,f=-8.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.292 USER MOD Single : A 26 GLN : amide:sc= -0.0421 X(o=-0.042,f=-0.042) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 78:sc= 1.28 USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0729) USER MOD Single : A 35 HIS : no HD1:sc= 0.579 K(o=0.58,f=-4.4!) USER MOD Single : A 36 ASN : amide:sc= -1.56! C(o=-1.6!,f=-4.7!) USER MOD Single : A 38 SER OG : rot 123:sc= 1.27 USER MOD Single : A 39 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.086) USER MOD Single : A 42 TYR OH : rot 1:sc= 0.636 USER MOD Single : A 43 TYR OH : rot 180:sc= 0.338 USER MOD Single : A 46 THR OG1 : rot 108:sc= 0.0826 USER MOD Single : A 48 ASN : amide:sc= -0.753 K(o=-0.75,f=-3.7!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= -0.0324 (180deg=-0.239) USER MOD Single : A 55 ASN : amide:sc= -0.0422 X(o=-0.042,f=-0.28) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.272! C(o=-0.27!,f=-4.7!) USER MOD Single : A 71 LYS NZ :NH3+ -163:sc= -0.0217 (180deg=-0.221) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= 1.02 (180deg=-0.127!) USER MOD Single : A 77 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=-0.0022) USER MOD Single : A 81 THR OG1 : rot -75:sc= 0.237 USER MOD Single : A 82 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 83 SER OG : rot 133:sc= 1.33 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 85 LYS NZ :NH3+ 169:sc=-0.00955 (180deg=-0.177) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= -0.0137 (180deg=-0.189) USER MOD Single : A 88 SER OG : rot 79:sc= 1.13 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00697 USER MOD Single : A 94 GLN : amide:sc= -0.306 K(o=-0.31,f=-5.1!) USER MOD Single : A 99 ASN : amide:sc= 0.397 X(o=0.4,f=0) USER MOD Single : A 111 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.3) USER MOD Single : A 113 HIS : no HE2:sc= 1.02 K(o=1,f=-6.1!) USER MOD Single : A 115 GLN : amide:sc= 0.978 K(o=0.98,f=-0.089) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -112:sc= 0.975 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 175:sc= -0.766 USER MOD Single : A 131 SER OG : rot 180:sc=-0.00329 USER MOD Single : A 133 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -4.526 14.205 -15.736 1.00 0.00 N ATOM 2 CA ASP A 7 -5.698 13.394 -15.409 1.00 0.00 C ATOM 3 C ASP A 7 -5.714 13.104 -13.911 1.00 0.00 C ATOM 4 O ASP A 7 -4.681 13.228 -13.253 1.00 0.00 O ATOM 5 CB ASP A 7 -5.679 12.076 -16.198 1.00 0.00 C ATOM 6 CG ASP A 7 -6.916 11.225 -15.965 1.00 0.00 C ATOM 7 OD1 ASP A 7 -7.926 11.432 -16.670 1.00 0.00 O ATOM 8 OD2 ASP A 7 -6.884 10.347 -15.078 1.00 0.00 O ATOM 0 HA ASP A 7 -6.597 13.946 -15.683 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.592 12.297 -17.262 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.794 11.505 -15.918 1.00 0.00 H new ATOM 13 N GLN A 8 -6.872 12.719 -13.384 1.00 0.00 N ATOM 14 CA GLN A 8 -7.023 12.410 -11.962 1.00 0.00 C ATOM 15 C GLN A 8 -6.037 11.319 -11.535 1.00 0.00 C ATOM 16 O GLN A 8 -5.474 11.366 -10.437 1.00 0.00 O ATOM 17 CB GLN A 8 -8.458 11.956 -11.682 1.00 0.00 C ATOM 18 CG GLN A 8 -8.790 11.831 -10.203 1.00 0.00 C ATOM 19 CD GLN A 8 -10.207 11.350 -9.964 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.766 10.589 -10.755 1.00 0.00 O ATOM 21 NE2 GLN A 8 -10.808 11.801 -8.876 1.00 0.00 N ATOM 0 H GLN A 8 -7.730 12.612 -13.926 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.808 13.310 -11.386 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.148 12.664 -12.140 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.624 10.992 -12.164 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.091 11.138 -9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.652 12.798 -9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.313 12.430 -8.244 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.766 11.520 -8.669 1.00 0.00 H new ATOM 30 N VAL A 9 -5.824 10.351 -12.424 1.00 0.00 N ATOM 31 CA VAL A 9 -4.884 9.261 -12.178 1.00 0.00 C ATOM 32 C VAL A 9 -3.472 9.799 -11.941 1.00 0.00 C ATOM 33 O VAL A 9 -2.711 9.255 -11.137 1.00 0.00 O ATOM 34 CB VAL A 9 -4.871 8.268 -13.369 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.790 7.211 -13.201 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.230 7.605 -13.522 1.00 0.00 C ATOM 0 H VAL A 9 -6.294 10.300 -13.328 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.214 8.736 -11.282 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.648 8.837 -14.271 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.809 6.532 -14.053 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.815 7.694 -13.144 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.970 6.648 -12.285 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.204 6.911 -14.362 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.474 7.061 -12.610 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.988 8.367 -13.704 1.00 0.00 H new ATOM 46 N VAL A 10 -3.141 10.885 -12.620 1.00 0.00 N ATOM 47 CA VAL A 10 -1.813 11.473 -12.530 1.00 0.00 C ATOM 48 C VAL A 10 -1.574 12.072 -11.146 1.00 0.00 C ATOM 49 O VAL A 10 -0.482 11.952 -10.595 1.00 0.00 O ATOM 50 CB VAL A 10 -1.606 12.554 -13.612 1.00 0.00 C ATOM 51 CG1 VAL A 10 -0.208 13.151 -13.533 1.00 0.00 C ATOM 52 CG2 VAL A 10 -1.856 11.971 -14.993 1.00 0.00 C ATOM 0 H VAL A 10 -3.778 11.381 -13.244 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.091 10.674 -12.697 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.323 13.355 -13.432 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.092 13.909 -14.307 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.062 13.607 -12.554 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.532 12.365 -13.681 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.707 12.744 -15.747 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.162 11.150 -15.173 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.879 11.600 -15.052 1.00 0.00 H new ATOM 62 N ILE A 11 -2.605 12.697 -10.582 1.00 0.00 N ATOM 63 CA ILE A 11 -2.502 13.297 -9.253 1.00 0.00 C ATOM 64 C ILE A 11 -2.203 12.228 -8.205 1.00 0.00 C ATOM 65 O ILE A 11 -1.266 12.357 -7.415 1.00 0.00 O ATOM 66 CB ILE A 11 -3.793 14.073 -8.863 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.847 15.445 -9.550 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.891 14.251 -7.355 1.00 0.00 C ATOM 69 CD1 ILE A 11 -4.014 15.392 -11.052 1.00 0.00 C ATOM 0 H ILE A 11 -3.519 12.801 -11.023 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.680 14.012 -9.286 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.641 13.479 -9.203 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.673 16.017 -9.126 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.931 15.989 -9.319 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.803 14.796 -7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.914 13.273 -6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.027 14.811 -6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.042 16.406 -11.451 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.176 14.852 -11.492 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.945 14.880 -11.297 1.00 0.00 H new ATOM 81 N PHE A 12 -2.985 11.156 -8.218 1.00 0.00 N ATOM 82 CA PHE A 12 -2.818 10.088 -7.241 1.00 0.00 C ATOM 83 C PHE A 12 -1.506 9.339 -7.456 1.00 0.00 C ATOM 84 O PHE A 12 -0.789 9.052 -6.495 1.00 0.00 O ATOM 85 CB PHE A 12 -4.002 9.123 -7.286 1.00 0.00 C ATOM 86 CG PHE A 12 -5.260 9.697 -6.697 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.528 9.557 -5.346 1.00 0.00 C ATOM 88 CD2 PHE A 12 -6.167 10.380 -7.490 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.679 10.086 -4.795 1.00 0.00 C ATOM 90 CE2 PHE A 12 -7.321 10.912 -6.944 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.576 10.764 -5.595 1.00 0.00 C ATOM 0 H PHE A 12 -3.737 11.003 -8.890 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.783 10.546 -6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.191 8.839 -8.321 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.740 8.212 -6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.829 9.028 -4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.971 10.498 -8.545 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.877 9.969 -3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.022 11.442 -7.572 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.477 11.178 -5.166 1.00 0.00 H new ATOM 101 N LYS A 13 -1.178 9.039 -8.709 1.00 0.00 N ATOM 102 CA LYS A 13 0.072 8.352 -9.014 1.00 0.00 C ATOM 103 C LYS A 13 1.269 9.210 -8.604 1.00 0.00 C ATOM 104 O LYS A 13 2.297 8.686 -8.181 1.00 0.00 O ATOM 105 CB LYS A 13 0.151 7.988 -10.504 1.00 0.00 C ATOM 106 CG LYS A 13 1.509 7.438 -10.930 1.00 0.00 C ATOM 107 CD LYS A 13 1.497 6.909 -12.357 1.00 0.00 C ATOM 108 CE LYS A 13 0.756 5.584 -12.456 1.00 0.00 C ATOM 109 NZ LYS A 13 0.876 4.978 -13.809 1.00 0.00 N ATOM 0 H LYS A 13 -1.754 9.258 -9.522 1.00 0.00 H new ATOM 0 HA LYS A 13 0.098 7.426 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.617 7.249 -10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.075 8.874 -11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.260 8.223 -10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.804 6.638 -10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.025 7.640 -13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.521 6.781 -12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.151 4.892 -11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.297 5.739 -12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.073 3.961 -13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.014 5.113 -14.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.653 5.436 -14.327 1.00 0.00 H new ATOM 123 N GLN A 14 1.114 10.526 -8.709 1.00 0.00 N ATOM 124 CA GLN A 14 2.165 11.461 -8.321 1.00 0.00 C ATOM 125 C GLN A 14 2.512 11.285 -6.846 1.00 0.00 C ATOM 126 O GLN A 14 3.687 11.270 -6.470 1.00 0.00 O ATOM 127 CB GLN A 14 1.704 12.898 -8.579 1.00 0.00 C ATOM 128 CG GLN A 14 2.820 13.928 -8.514 1.00 0.00 C ATOM 129 CD GLN A 14 3.811 13.799 -9.656 1.00 0.00 C ATOM 130 OE1 GLN A 14 3.341 13.330 -10.804 1.00 0.00 O flip ATOM 131 NE2 GLN A 14 4.989 14.124 -9.508 1.00 0.00 N flip ATOM 0 H GLN A 14 0.266 10.971 -9.061 1.00 0.00 H new ATOM 0 HA GLN A 14 3.054 11.257 -8.917 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.235 12.947 -9.562 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.939 13.160 -7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.386 14.928 -8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.349 13.823 -7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.310 14.481 -8.608 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.644 14.037 -10.285 1.00 0.00 H new ATOM 140 N ILE A 15 1.478 11.136 -6.024 1.00 0.00 N ATOM 141 CA ILE A 15 1.647 10.965 -4.583 1.00 0.00 C ATOM 142 C ILE A 15 2.403 9.675 -4.263 1.00 0.00 C ATOM 143 O ILE A 15 3.408 9.690 -3.545 1.00 0.00 O ATOM 144 CB ILE A 15 0.281 10.943 -3.859 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.507 12.218 -4.172 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.474 10.785 -2.355 1.00 0.00 C ATOM 147 CD1 ILE A 15 -1.916 12.221 -3.615 1.00 0.00 C ATOM 0 H ILE A 15 0.506 11.130 -6.334 1.00 0.00 H new ATOM 0 HA ILE A 15 2.227 11.817 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.289 10.087 -4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.034 13.075 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.554 12.348 -5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.498 10.772 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.997 9.850 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.062 11.620 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.409 13.157 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.475 11.385 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.879 12.123 -2.530 1.00 0.00 H new ATOM 159 N PHE A 16 1.926 8.563 -4.813 1.00 0.00 N ATOM 160 CA PHE A 16 2.518 7.258 -4.539 1.00 0.00 C ATOM 161 C PHE A 16 3.931 7.152 -5.108 1.00 0.00 C ATOM 162 O PHE A 16 4.775 6.436 -4.567 1.00 0.00 O ATOM 163 CB PHE A 16 1.637 6.132 -5.090 1.00 0.00 C ATOM 164 CG PHE A 16 0.345 5.962 -4.341 1.00 0.00 C ATOM 165 CD1 PHE A 16 0.317 5.286 -3.130 1.00 0.00 C ATOM 166 CD2 PHE A 16 -0.838 6.474 -4.843 1.00 0.00 C ATOM 167 CE1 PHE A 16 -0.868 5.126 -2.436 1.00 0.00 C ATOM 168 CE2 PHE A 16 -2.027 6.318 -4.154 1.00 0.00 C ATOM 169 CZ PHE A 16 -2.042 5.644 -2.951 1.00 0.00 C ATOM 0 H PHE A 16 1.131 8.539 -5.451 1.00 0.00 H new ATOM 0 HA PHE A 16 2.583 7.152 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.417 6.334 -6.138 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.194 5.196 -5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.232 4.880 -2.724 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.833 7.002 -5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.877 4.598 -1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.943 6.724 -4.558 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.970 5.521 -2.412 1.00 0.00 H new ATOM 179 N ASP A 17 4.191 7.871 -6.193 1.00 0.00 N ATOM 180 CA ASP A 17 5.521 7.885 -6.789 1.00 0.00 C ATOM 181 C ASP A 17 6.505 8.606 -5.870 1.00 0.00 C ATOM 182 O ASP A 17 7.632 8.152 -5.670 1.00 0.00 O ATOM 183 CB ASP A 17 5.493 8.555 -8.165 1.00 0.00 C ATOM 184 CG ASP A 17 6.842 8.515 -8.855 1.00 0.00 C ATOM 185 OD1 ASP A 17 7.155 7.488 -9.494 1.00 0.00 O ATOM 186 OD2 ASP A 17 7.590 9.508 -8.768 1.00 0.00 O ATOM 0 H ASP A 17 3.503 8.449 -6.676 1.00 0.00 H new ATOM 0 HA ASP A 17 5.849 6.854 -6.917 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.752 8.059 -8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.175 9.592 -8.055 1.00 0.00 H new ATOM 191 N LYS A 18 6.061 9.718 -5.290 1.00 0.00 N ATOM 192 CA LYS A 18 6.899 10.488 -4.377 1.00 0.00 C ATOM 193 C LYS A 18 7.205 9.697 -3.109 1.00 0.00 C ATOM 194 O LYS A 18 8.358 9.617 -2.690 1.00 0.00 O ATOM 195 CB LYS A 18 6.238 11.821 -4.014 1.00 0.00 C ATOM 196 CG LYS A 18 6.229 12.834 -5.149 1.00 0.00 C ATOM 197 CD LYS A 18 7.640 13.230 -5.570 1.00 0.00 C ATOM 198 CE LYS A 18 8.371 13.996 -4.476 1.00 0.00 C ATOM 199 NZ LYS A 18 9.759 14.345 -4.879 1.00 0.00 N ATOM 0 H LYS A 18 5.128 10.105 -5.436 1.00 0.00 H new ATOM 0 HA LYS A 18 7.837 10.693 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.211 11.633 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.759 12.253 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.699 12.416 -6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.680 13.723 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.206 12.334 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.591 13.843 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.821 14.907 -4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.397 13.395 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.224 14.866 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.292 13.474 -5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.734 14.939 -5.732 1.00 0.00 H new ATOM 213 N VAL A 19 6.183 9.099 -2.504 1.00 0.00 N ATOM 214 CA VAL A 19 6.374 8.355 -1.258 1.00 0.00 C ATOM 215 C VAL A 19 7.246 7.117 -1.485 1.00 0.00 C ATOM 216 O VAL A 19 7.946 6.665 -0.579 1.00 0.00 O ATOM 217 CB VAL A 19 5.027 7.951 -0.609 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.279 6.932 -1.459 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.249 7.415 0.800 1.00 0.00 C ATOM 0 H VAL A 19 5.223 9.113 -2.849 1.00 0.00 H new ATOM 0 HA VAL A 19 6.887 9.023 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 19 4.409 8.847 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.339 6.672 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.074 7.358 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.889 6.036 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.291 7.137 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.897 6.539 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.718 8.185 1.412 1.00 0.00 H new ATOM 229 N ARG A 20 7.218 6.598 -2.710 1.00 0.00 N ATOM 230 CA ARG A 20 8.035 5.447 -3.084 1.00 0.00 C ATOM 231 C ARG A 20 9.523 5.759 -2.937 1.00 0.00 C ATOM 232 O ARG A 20 10.313 4.899 -2.539 1.00 0.00 O ATOM 233 CB ARG A 20 7.729 5.024 -4.528 1.00 0.00 C ATOM 234 CG ARG A 20 8.678 3.965 -5.074 1.00 0.00 C ATOM 235 CD ARG A 20 8.284 3.498 -6.468 1.00 0.00 C ATOM 236 NE ARG A 20 8.282 4.581 -7.454 1.00 0.00 N ATOM 237 CZ ARG A 20 9.026 4.584 -8.564 1.00 0.00 C ATOM 238 NH1 ARG A 20 9.944 3.645 -8.769 1.00 0.00 N ATOM 239 NH2 ARG A 20 8.878 5.546 -9.462 1.00 0.00 N ATOM 0 H ARG A 20 6.634 6.959 -3.465 1.00 0.00 H new ATOM 0 HA ARG A 20 7.788 4.626 -2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.709 4.644 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.772 5.903 -5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.691 4.367 -5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.693 3.110 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.974 2.719 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.292 3.048 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 20 7.675 5.383 -7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.087 2.911 -8.075 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.506 3.658 -9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.195 6.287 -9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.447 5.546 -10.308 1.00 0.00 H new ATOM 253 N ASN A 21 9.891 6.996 -3.240 1.00 0.00 N ATOM 254 CA ASN A 21 11.293 7.389 -3.263 1.00 0.00 C ATOM 255 C ASN A 21 11.671 8.200 -2.029 1.00 0.00 C ATOM 256 O ASN A 21 12.720 7.970 -1.426 1.00 0.00 O ATOM 257 CB ASN A 21 11.591 8.206 -4.526 1.00 0.00 C ATOM 258 CG ASN A 21 11.443 7.398 -5.802 1.00 0.00 C ATOM 259 OD1 ASN A 21 11.697 6.192 -5.822 1.00 0.00 O ATOM 260 ND2 ASN A 21 11.035 8.056 -6.878 1.00 0.00 N ATOM 0 H ASN A 21 9.238 7.744 -3.473 1.00 0.00 H new ATOM 0 HA ASN A 21 11.890 6.477 -3.265 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.919 9.063 -4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.606 8.599 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.921 7.564 -7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.835 9.055 -6.820 1.00 0.00 H new ATOM 267 N ASP A 22 10.807 9.134 -1.647 1.00 0.00 N ATOM 268 CA ASP A 22 11.138 10.104 -0.605 1.00 0.00 C ATOM 269 C ASP A 22 10.782 9.600 0.791 1.00 0.00 C ATOM 270 O ASP A 22 11.391 10.018 1.774 1.00 0.00 O ATOM 271 CB ASP A 22 10.420 11.424 -0.880 1.00 0.00 C ATOM 272 CG ASP A 22 10.965 12.564 -0.046 1.00 0.00 C ATOM 273 OD1 ASP A 22 12.135 12.942 -0.252 1.00 0.00 O ATOM 274 OD2 ASP A 22 10.219 13.105 0.796 1.00 0.00 O ATOM 0 H ASP A 22 9.873 9.241 -2.042 1.00 0.00 H new ATOM 0 HA ASP A 22 12.217 10.255 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.516 11.673 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.356 11.305 -0.676 1.00 0.00 H new ATOM 279 N LEU A 23 9.796 8.701 0.871 1.00 0.00 N ATOM 280 CA LEU A 23 9.344 8.144 2.153 1.00 0.00 C ATOM 281 C LEU A 23 8.778 9.237 3.060 1.00 0.00 C ATOM 282 O LEU A 23 8.869 9.155 4.285 1.00 0.00 O ATOM 283 CB LEU A 23 10.495 7.414 2.860 1.00 0.00 C ATOM 284 CG LEU A 23 11.036 6.194 2.122 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.250 5.637 2.843 1.00 0.00 C ATOM 286 CD2 LEU A 23 9.955 5.131 1.998 1.00 0.00 C ATOM 0 H LEU A 23 9.293 8.341 0.060 1.00 0.00 H new ATOM 0 HA LEU A 23 8.549 7.428 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.312 8.119 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.155 7.101 3.847 1.00 0.00 H new ATOM 0 HG LEU A 23 11.339 6.498 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.625 4.767 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.028 6.399 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.970 5.345 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.355 4.266 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.626 4.829 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.108 5.536 1.443 1.00 0.00 H new ATOM 298 N ASN A 24 8.181 10.247 2.442 1.00 0.00 N ATOM 299 CA ASN A 24 7.599 11.369 3.169 1.00 0.00 C ATOM 300 C ASN A 24 6.302 10.948 3.853 1.00 0.00 C ATOM 301 O ASN A 24 5.255 10.872 3.215 1.00 0.00 O ATOM 302 CB ASN A 24 7.318 12.525 2.201 1.00 0.00 C ATOM 303 CG ASN A 24 6.951 13.826 2.900 1.00 0.00 C ATOM 304 OD1 ASN A 24 6.467 13.838 4.035 1.00 0.00 O ATOM 305 ND2 ASN A 24 7.156 14.938 2.211 1.00 0.00 N ATOM 0 H ASN A 24 8.086 10.313 1.429 1.00 0.00 H new ATOM 0 HA ASN A 24 8.308 11.695 3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.199 12.691 1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.506 12.239 1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.912 15.842 2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.558 14.891 1.275 1.00 0.00 H new ATOM 312 N TYR A 25 6.375 10.671 5.147 1.00 0.00 N ATOM 313 CA TYR A 25 5.193 10.281 5.911 1.00 0.00 C ATOM 314 C TYR A 25 4.248 11.462 6.102 1.00 0.00 C ATOM 315 O TYR A 25 3.025 11.305 6.048 1.00 0.00 O ATOM 316 CB TYR A 25 5.595 9.719 7.276 1.00 0.00 C ATOM 317 CG TYR A 25 5.865 8.231 7.280 1.00 0.00 C ATOM 318 CD1 TYR A 25 6.978 7.693 6.644 1.00 0.00 C ATOM 319 CD2 TYR A 25 4.996 7.362 7.927 1.00 0.00 C ATOM 320 CE1 TYR A 25 7.218 6.331 6.656 1.00 0.00 C ATOM 321 CE2 TYR A 25 5.229 6.003 7.943 1.00 0.00 C ATOM 322 CZ TYR A 25 6.338 5.492 7.307 1.00 0.00 C ATOM 323 OH TYR A 25 6.566 4.136 7.324 1.00 0.00 O ATOM 0 H TYR A 25 7.237 10.708 5.691 1.00 0.00 H new ATOM 0 HA TYR A 25 4.674 9.508 5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.488 10.240 7.622 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.803 9.935 7.993 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.666 8.349 6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.123 7.757 8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.088 5.927 6.159 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.544 5.342 8.453 1.00 0.00 H new ATOM 0 HH TYR A 25 5.852 3.690 7.826 1.00 0.00 H new ATOM 333 N GLN A 26 4.826 12.642 6.311 1.00 0.00 N ATOM 334 CA GLN A 26 4.049 13.850 6.577 1.00 0.00 C ATOM 335 C GLN A 26 3.090 14.152 5.428 1.00 0.00 C ATOM 336 O GLN A 26 1.877 14.245 5.622 1.00 0.00 O ATOM 337 CB GLN A 26 4.975 15.052 6.788 1.00 0.00 C ATOM 338 CG GLN A 26 5.930 14.918 7.966 1.00 0.00 C ATOM 339 CD GLN A 26 5.216 14.797 9.298 1.00 0.00 C ATOM 340 OE1 GLN A 26 4.871 15.800 9.924 1.00 0.00 O ATOM 341 NE2 GLN A 26 5.037 13.572 9.766 1.00 0.00 N ATOM 0 H GLN A 26 5.835 12.788 6.301 1.00 0.00 H new ATOM 0 HA GLN A 26 3.471 13.673 7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.558 15.208 5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.364 15.943 6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.561 14.041 7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.590 15.785 7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.337 12.767 9.216 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.599 13.433 10.677 1.00 0.00 H new ATOM 350 N TRP A 27 3.643 14.291 4.231 1.00 0.00 N ATOM 351 CA TRP A 27 2.863 14.663 3.056 1.00 0.00 C ATOM 352 C TRP A 27 1.941 13.526 2.622 1.00 0.00 C ATOM 353 O TRP A 27 0.784 13.758 2.270 1.00 0.00 O ATOM 354 CB TRP A 27 3.811 15.055 1.918 1.00 0.00 C ATOM 355 CG TRP A 27 3.125 15.551 0.679 1.00 0.00 C ATOM 356 CD1 TRP A 27 2.442 16.723 0.534 1.00 0.00 C ATOM 357 CD2 TRP A 27 3.078 14.897 -0.593 1.00 0.00 C ATOM 358 NE1 TRP A 27 1.964 16.833 -0.749 1.00 0.00 N ATOM 359 CE2 TRP A 27 2.340 15.724 -1.460 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.579 13.687 -1.081 1.00 0.00 C ATOM 361 CZ2 TRP A 27 2.102 15.383 -2.792 1.00 0.00 C ATOM 362 CZ3 TRP A 27 3.343 13.351 -2.400 1.00 0.00 C ATOM 363 CH2 TRP A 27 2.607 14.192 -3.241 1.00 0.00 C ATOM 0 H TRP A 27 4.636 14.151 4.046 1.00 0.00 H new ATOM 0 HA TRP A 27 2.233 15.516 3.310 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.489 15.829 2.277 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.423 14.191 1.658 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.298 17.457 1.313 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.418 17.614 -1.113 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.141 13.026 -0.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.540 16.035 -3.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.734 12.422 -2.789 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.433 13.896 -4.265 1.00 0.00 H new ATOM 374 N PHE A 28 2.452 12.299 2.680 1.00 0.00 N ATOM 375 CA PHE A 28 1.707 11.121 2.233 1.00 0.00 C ATOM 376 C PHE A 28 0.372 10.990 2.964 1.00 0.00 C ATOM 377 O PHE A 28 -0.687 10.979 2.337 1.00 0.00 O ATOM 378 CB PHE A 28 2.551 9.861 2.439 1.00 0.00 C ATOM 379 CG PHE A 28 1.896 8.588 1.978 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.489 8.434 0.660 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.699 7.541 2.863 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.895 7.261 0.237 1.00 0.00 C ATOM 383 CE2 PHE A 28 1.107 6.365 2.446 1.00 0.00 C ATOM 384 CZ PHE A 28 0.704 6.224 1.132 1.00 0.00 C ATOM 0 H PHE A 28 3.386 12.092 3.035 1.00 0.00 H new ATOM 0 HA PHE A 28 1.491 11.241 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.496 9.981 1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.790 9.769 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.638 9.240 -0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.012 7.645 3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.580 7.154 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.959 5.556 3.146 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.240 5.305 0.804 1.00 0.00 H new ATOM 394 N TYR A 29 0.421 10.912 4.288 1.00 0.00 N ATOM 395 CA TYR A 29 -0.788 10.700 5.072 1.00 0.00 C ATOM 396 C TYR A 29 -1.701 11.921 5.041 1.00 0.00 C ATOM 397 O TYR A 29 -2.922 11.787 5.147 1.00 0.00 O ATOM 398 CB TYR A 29 -0.444 10.316 6.512 1.00 0.00 C ATOM 399 CG TYR A 29 0.013 8.882 6.651 1.00 0.00 C ATOM 400 CD1 TYR A 29 -0.909 7.841 6.661 1.00 0.00 C ATOM 401 CD2 TYR A 29 1.359 8.565 6.762 1.00 0.00 C ATOM 402 CE1 TYR A 29 -0.502 6.526 6.780 1.00 0.00 C ATOM 403 CE2 TYR A 29 1.777 7.253 6.880 1.00 0.00 C ATOM 404 CZ TYR A 29 0.842 6.236 6.888 1.00 0.00 C ATOM 405 OH TYR A 29 1.253 4.925 7.003 1.00 0.00 O ATOM 0 H TYR A 29 1.277 10.992 4.837 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.331 9.872 4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.340 10.978 6.881 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.319 10.475 7.143 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.962 8.064 6.574 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.093 9.357 6.756 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.232 5.730 6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.829 7.024 6.966 1.00 0.00 H new ATOM 0 HH TYR A 29 2.230 4.893 7.068 1.00 0.00 H new ATOM 415 N SER A 30 -1.119 13.102 4.883 1.00 0.00 N ATOM 416 CA SER A 30 -1.909 14.320 4.789 1.00 0.00 C ATOM 417 C SER A 30 -2.714 14.340 3.492 1.00 0.00 C ATOM 418 O SER A 30 -3.899 14.665 3.495 1.00 0.00 O ATOM 419 CB SER A 30 -1.015 15.555 4.887 1.00 0.00 C ATOM 420 OG SER A 30 -0.352 15.600 6.144 1.00 0.00 O ATOM 0 H SER A 30 -0.111 13.241 4.818 1.00 0.00 H new ATOM 0 HA SER A 30 -2.607 14.338 5.626 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.279 15.542 4.083 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.615 16.455 4.755 1.00 0.00 H new ATOM 0 HG SER A 30 0.399 14.970 6.141 1.00 0.00 H new ATOM 426 N GLU A 31 -2.075 13.966 2.391 1.00 0.00 N ATOM 427 CA GLU A 31 -2.759 13.899 1.110 1.00 0.00 C ATOM 428 C GLU A 31 -3.778 12.767 1.100 1.00 0.00 C ATOM 429 O GLU A 31 -4.831 12.879 0.474 1.00 0.00 O ATOM 430 CB GLU A 31 -1.764 13.730 -0.037 1.00 0.00 C ATOM 431 CG GLU A 31 -0.996 15.001 -0.362 1.00 0.00 C ATOM 432 CD GLU A 31 -1.910 16.166 -0.701 1.00 0.00 C ATOM 433 OE1 GLU A 31 -2.755 16.025 -1.606 1.00 0.00 O ATOM 434 OE2 GLU A 31 -1.779 17.239 -0.073 1.00 0.00 O ATOM 0 H GLU A 31 -1.089 13.706 2.361 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.287 14.841 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.056 12.942 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.300 13.400 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.370 15.271 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.327 14.812 -1.202 1.00 0.00 H new ATOM 441 N LEU A 32 -3.466 11.681 1.796 1.00 0.00 N ATOM 442 CA LEU A 32 -4.417 10.588 1.943 1.00 0.00 C ATOM 443 C LEU A 32 -5.684 11.087 2.622 1.00 0.00 C ATOM 444 O LEU A 32 -6.778 10.912 2.103 1.00 0.00 O ATOM 445 CB LEU A 32 -3.818 9.433 2.746 1.00 0.00 C ATOM 446 CG LEU A 32 -2.675 8.685 2.063 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.171 7.564 2.954 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.118 8.132 0.715 1.00 0.00 C ATOM 0 H LEU A 32 -2.571 11.534 2.263 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.660 10.218 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.457 9.823 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.611 8.721 2.973 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.861 9.389 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.357 7.040 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.811 7.981 3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.983 6.865 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.287 7.604 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.950 7.443 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.434 8.953 0.071 1.00 0.00 H new ATOM 460 N LYS A 33 -5.522 11.741 3.763 1.00 0.00 N ATOM 461 CA LYS A 33 -6.651 12.295 4.506 1.00 0.00 C ATOM 462 C LYS A 33 -7.365 13.375 3.687 1.00 0.00 C ATOM 463 O LYS A 33 -8.558 13.620 3.860 1.00 0.00 O ATOM 464 CB LYS A 33 -6.156 12.879 5.834 1.00 0.00 C ATOM 465 CG LYS A 33 -7.251 13.479 6.700 1.00 0.00 C ATOM 466 CD LYS A 33 -6.682 14.105 7.963 1.00 0.00 C ATOM 467 CE LYS A 33 -6.011 13.072 8.856 1.00 0.00 C ATOM 468 NZ LYS A 33 -6.986 12.102 9.421 1.00 0.00 N ATOM 0 H LYS A 33 -4.614 11.903 4.199 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.364 11.495 4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.653 12.094 6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.412 13.648 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.794 14.234 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.970 12.705 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.960 14.875 7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.482 14.598 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.256 12.534 8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.492 13.579 9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.511 11.503 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.766 12.619 9.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.364 11.505 8.658 1.00 0.00 H new ATOM 482 N ARG A 34 -6.623 13.998 2.786 1.00 0.00 N ATOM 483 CA ARG A 34 -7.134 15.099 1.975 1.00 0.00 C ATOM 484 C ARG A 34 -7.967 14.598 0.787 1.00 0.00 C ATOM 485 O ARG A 34 -8.784 15.339 0.243 1.00 0.00 O ATOM 486 CB ARG A 34 -5.953 15.944 1.479 1.00 0.00 C ATOM 487 CG ARG A 34 -6.339 17.153 0.645 1.00 0.00 C ATOM 488 CD ARG A 34 -5.100 17.873 0.138 1.00 0.00 C ATOM 489 NE ARG A 34 -5.426 18.951 -0.792 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.569 19.441 -1.689 1.00 0.00 C ATOM 491 NH1 ARG A 34 -3.357 18.910 -1.811 1.00 0.00 N ATOM 492 NH2 ARG A 34 -4.928 20.453 -2.472 1.00 0.00 N ATOM 0 H ARG A 34 -5.651 13.758 2.594 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.794 15.705 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.380 16.284 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.293 15.309 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.954 16.838 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.943 17.835 1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.548 18.281 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.443 17.157 -0.356 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.363 19.352 -0.753 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.081 18.127 -1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.702 19.285 -2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.861 20.857 -2.388 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.271 20.826 -3.157 1.00 0.00 H new ATOM 506 N HIS A 35 -7.768 13.344 0.390 1.00 0.00 N ATOM 507 CA HIS A 35 -8.433 12.820 -0.804 1.00 0.00 C ATOM 508 C HIS A 35 -9.113 11.488 -0.513 1.00 0.00 C ATOM 509 O HIS A 35 -10.316 11.330 -0.721 1.00 0.00 O ATOM 510 CB HIS A 35 -7.436 12.622 -1.956 1.00 0.00 C ATOM 511 CG HIS A 35 -6.596 13.818 -2.284 1.00 0.00 C ATOM 512 ND1 HIS A 35 -7.114 15.030 -2.681 1.00 0.00 N ATOM 513 CD2 HIS A 35 -5.253 13.974 -2.274 1.00 0.00 C ATOM 514 CE1 HIS A 35 -6.126 15.875 -2.901 1.00 0.00 C ATOM 515 NE2 HIS A 35 -4.983 15.259 -2.659 1.00 0.00 N ATOM 0 H HIS A 35 -7.161 12.678 0.868 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.182 13.556 -1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.776 11.792 -1.705 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.990 12.331 -2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.525 13.221 -2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.233 16.900 -3.225 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.054 15.672 -2.745 1.00 0.00 H new ATOM 524 N ASN A 36 -8.332 10.533 -0.030 1.00 0.00 N ATOM 525 CA ASN A 36 -8.820 9.184 0.210 1.00 0.00 C ATOM 526 C ASN A 36 -9.428 9.070 1.602 1.00 0.00 C ATOM 527 O ASN A 36 -8.739 8.772 2.578 1.00 0.00 O ATOM 528 CB ASN A 36 -7.684 8.173 0.048 1.00 0.00 C ATOM 529 CG ASN A 36 -8.123 6.749 0.325 1.00 0.00 C ATOM 530 OD1 ASN A 36 -9.267 6.375 0.075 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.217 5.946 0.856 1.00 0.00 N ATOM 0 H ASN A 36 -7.349 10.670 0.205 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.595 8.965 -0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.289 8.236 -0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.870 8.436 0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.457 4.979 1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.278 6.294 1.049 1.00 0.00 H new ATOM 538 N VAL A 37 -10.716 9.342 1.688 1.00 0.00 N ATOM 539 CA VAL A 37 -11.435 9.256 2.949 1.00 0.00 C ATOM 540 C VAL A 37 -11.777 7.803 3.296 1.00 0.00 C ATOM 541 O VAL A 37 -11.848 7.437 4.471 1.00 0.00 O ATOM 542 CB VAL A 37 -12.724 10.107 2.906 1.00 0.00 C ATOM 543 CG1 VAL A 37 -13.449 10.077 4.244 1.00 0.00 C ATOM 544 CG2 VAL A 37 -12.399 11.541 2.506 1.00 0.00 C ATOM 0 H VAL A 37 -11.291 9.626 0.895 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.780 9.649 3.727 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.388 9.676 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.352 10.685 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.719 9.050 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.796 10.475 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.317 12.128 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.711 11.974 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.936 11.547 1.519 1.00 0.00 H new ATOM 554 N SER A 38 -11.956 6.971 2.277 1.00 0.00 N ATOM 555 CA SER A 38 -12.378 5.593 2.494 1.00 0.00 C ATOM 556 C SER A 38 -11.183 4.636 2.569 1.00 0.00 C ATOM 557 O SER A 38 -10.726 4.291 3.663 1.00 0.00 O ATOM 558 CB SER A 38 -13.343 5.151 1.391 1.00 0.00 C ATOM 559 OG SER A 38 -14.462 6.014 1.308 1.00 0.00 O ATOM 0 H SER A 38 -11.817 7.224 1.299 1.00 0.00 H new ATOM 0 HA SER A 38 -12.892 5.555 3.455 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.822 5.136 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.680 4.133 1.587 1.00 0.00 H new ATOM 0 HG SER A 38 -14.527 6.379 0.401 1.00 0.00 H new ATOM 565 N HIS A 39 -10.668 4.220 1.412 1.00 0.00 N ATOM 566 CA HIS A 39 -9.612 3.210 1.366 1.00 0.00 C ATOM 567 C HIS A 39 -9.027 3.086 -0.035 1.00 0.00 C ATOM 568 O HIS A 39 -9.735 3.249 -1.027 1.00 0.00 O ATOM 569 CB HIS A 39 -10.143 1.840 1.826 1.00 0.00 C ATOM 570 CG HIS A 39 -11.273 1.288 0.998 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.599 1.396 1.364 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.268 0.608 -0.177 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.354 0.808 0.455 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.574 0.323 -0.488 1.00 0.00 N ATOM 0 H HIS A 39 -10.963 4.565 0.499 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.824 3.533 2.046 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.320 1.125 1.814 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.477 1.925 2.860 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.398 0.341 -0.759 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.431 0.737 0.481 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.889 -0.183 -1.316 1.00 0.00 H new ATOM 583 N TYR A 40 -7.739 2.794 -0.114 1.00 0.00 N ATOM 584 CA TYR A 40 -7.106 2.540 -1.398 1.00 0.00 C ATOM 585 C TYR A 40 -6.610 1.103 -1.445 1.00 0.00 C ATOM 586 O TYR A 40 -6.087 0.585 -0.456 1.00 0.00 O ATOM 587 CB TYR A 40 -5.962 3.531 -1.674 1.00 0.00 C ATOM 588 CG TYR A 40 -4.755 3.394 -0.772 1.00 0.00 C ATOM 589 CD1 TYR A 40 -4.706 4.038 0.456 1.00 0.00 C ATOM 590 CD2 TYR A 40 -3.659 2.634 -1.160 1.00 0.00 C ATOM 591 CE1 TYR A 40 -3.602 3.926 1.275 1.00 0.00 C ATOM 592 CE2 TYR A 40 -2.549 2.517 -0.347 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.525 3.166 0.871 1.00 0.00 C ATOM 594 OH TYR A 40 -1.425 3.052 1.688 1.00 0.00 O ATOM 0 H TYR A 40 -7.115 2.727 0.690 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.847 2.687 -2.184 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.638 3.408 -2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.351 4.545 -1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.546 4.637 0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.675 2.126 -2.113 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.581 4.432 2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.705 1.921 -0.662 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.755 2.481 1.257 1.00 0.00 H new ATOM 604 N ILE A 41 -6.818 0.453 -2.578 1.00 0.00 N ATOM 605 CA ILE A 41 -6.428 -0.935 -2.750 1.00 0.00 C ATOM 606 C ILE A 41 -5.286 -1.045 -3.755 1.00 0.00 C ATOM 607 O ILE A 41 -5.483 -0.887 -4.961 1.00 0.00 O ATOM 608 CB ILE A 41 -7.616 -1.793 -3.227 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.830 -1.581 -2.316 1.00 0.00 C ATOM 610 CG2 ILE A 41 -7.223 -3.263 -3.260 1.00 0.00 C ATOM 611 CD1 ILE A 41 -10.089 -2.271 -2.802 1.00 0.00 C ATOM 0 H ILE A 41 -7.259 0.869 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.097 -1.308 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.887 -1.483 -4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.590 -1.945 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.024 -0.512 -2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.071 -3.859 -3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.386 -3.401 -3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.930 -3.584 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.904 -2.074 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.355 -1.890 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.915 -3.345 -2.863 1.00 0.00 H new ATOM 623 N TYR A 42 -4.102 -1.313 -3.245 1.00 0.00 N ATOM 624 CA TYR A 42 -2.903 -1.402 -4.059 1.00 0.00 C ATOM 625 C TYR A 42 -2.620 -2.864 -4.403 1.00 0.00 C ATOM 626 O TYR A 42 -2.230 -3.647 -3.539 1.00 0.00 O ATOM 627 CB TYR A 42 -1.723 -0.803 -3.281 1.00 0.00 C ATOM 628 CG TYR A 42 -0.531 -0.399 -4.127 1.00 0.00 C ATOM 629 CD1 TYR A 42 0.070 -1.288 -5.007 1.00 0.00 C ATOM 630 CD2 TYR A 42 -0.005 0.883 -4.030 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.158 -0.912 -5.768 1.00 0.00 C ATOM 632 CE2 TYR A 42 1.087 1.266 -4.784 1.00 0.00 C ATOM 633 CZ TYR A 42 1.663 0.366 -5.653 1.00 0.00 C ATOM 634 OH TYR A 42 2.758 0.739 -6.398 1.00 0.00 O ATOM 0 H TYR A 42 -3.941 -1.476 -2.251 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.044 -0.846 -4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.075 0.073 -2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.392 -1.529 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.320 -2.291 -5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.458 1.593 -3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.612 -1.615 -6.450 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.487 2.265 -4.693 1.00 0.00 H new ATOM 0 HH TYR A 42 3.041 -0.011 -6.962 1.00 0.00 H new ATOM 644 N TYR A 43 -2.844 -3.240 -5.647 1.00 0.00 N ATOM 645 CA TYR A 43 -2.541 -4.594 -6.085 1.00 0.00 C ATOM 646 C TYR A 43 -1.085 -4.685 -6.516 1.00 0.00 C ATOM 647 O TYR A 43 -0.711 -4.149 -7.555 1.00 0.00 O ATOM 648 CB TYR A 43 -3.460 -5.013 -7.238 1.00 0.00 C ATOM 649 CG TYR A 43 -4.914 -5.135 -6.840 1.00 0.00 C ATOM 650 CD1 TYR A 43 -5.418 -6.330 -6.342 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.783 -4.054 -6.954 1.00 0.00 C ATOM 652 CE1 TYR A 43 -6.742 -6.444 -5.968 1.00 0.00 C ATOM 653 CE2 TYR A 43 -7.108 -4.163 -6.585 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.581 -5.360 -6.092 1.00 0.00 C ATOM 655 OH TYR A 43 -8.900 -5.468 -5.709 1.00 0.00 O ATOM 0 H TYR A 43 -3.232 -2.634 -6.370 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.711 -5.273 -5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.373 -4.285 -8.044 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.119 -5.969 -7.634 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.763 -7.184 -6.246 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.414 -3.114 -7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.118 -7.379 -5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.770 -3.316 -6.682 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.355 -4.613 -5.860 1.00 0.00 H new ATOM 665 N LEU A 44 -0.267 -5.348 -5.706 1.00 0.00 N ATOM 666 CA LEU A 44 1.158 -5.469 -5.989 1.00 0.00 C ATOM 667 C LEU A 44 1.386 -6.339 -7.221 1.00 0.00 C ATOM 668 O LEU A 44 0.495 -7.091 -7.625 1.00 0.00 O ATOM 669 CB LEU A 44 1.922 -6.061 -4.793 1.00 0.00 C ATOM 670 CG LEU A 44 2.045 -5.160 -3.558 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.741 -5.115 -2.775 1.00 0.00 C ATOM 672 CD2 LEU A 44 3.189 -5.632 -2.670 1.00 0.00 C ATOM 0 H LEU A 44 -0.567 -5.810 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 44 1.539 -4.465 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.429 -6.986 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.926 -6.327 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 44 2.262 -4.148 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.861 -4.468 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.052 -4.724 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.479 -6.121 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.264 -4.983 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.000 -6.655 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.123 -5.596 -3.230 1.00 0.00 H new ATOM 684 N ALA A 45 2.569 -6.197 -7.825 1.00 0.00 N ATOM 685 CA ALA A 45 2.978 -6.980 -8.996 1.00 0.00 C ATOM 686 C ALA A 45 2.280 -6.489 -10.258 1.00 0.00 C ATOM 687 O ALA A 45 2.918 -6.251 -11.285 1.00 0.00 O ATOM 688 CB ALA A 45 2.744 -8.475 -8.790 1.00 0.00 C ATOM 0 H ALA A 45 3.276 -5.531 -7.513 1.00 0.00 H new ATOM 0 HA ALA A 45 4.050 -6.832 -9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.060 -9.019 -9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.321 -8.819 -7.931 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.684 -8.656 -8.611 1.00 0.00 H new ATOM 694 N THR A 46 0.973 -6.343 -10.185 1.00 0.00 N ATOM 695 CA THR A 46 0.210 -5.793 -11.288 1.00 0.00 C ATOM 696 C THR A 46 0.228 -4.266 -11.213 1.00 0.00 C ATOM 697 O THR A 46 0.051 -3.577 -12.218 1.00 0.00 O ATOM 698 CB THR A 46 -1.236 -6.315 -11.253 1.00 0.00 C ATOM 699 OG1 THR A 46 -1.220 -7.716 -10.953 1.00 0.00 O ATOM 700 CG2 THR A 46 -1.927 -6.098 -12.590 1.00 0.00 C ATOM 0 H THR A 46 0.415 -6.598 -9.370 1.00 0.00 H new ATOM 0 HA THR A 46 0.664 -6.109 -12.227 1.00 0.00 H new ATOM 0 HB THR A 46 -1.785 -5.767 -10.487 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.544 -7.859 -10.039 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.948 -6.476 -12.538 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.946 -5.033 -12.821 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.383 -6.629 -13.371 1.00 0.00 H new ATOM 708 N GLU A 47 0.457 -3.760 -9.999 1.00 0.00 N ATOM 709 CA GLU A 47 0.618 -2.330 -9.740 1.00 0.00 C ATOM 710 C GLU A 47 -0.632 -1.539 -10.119 1.00 0.00 C ATOM 711 O GLU A 47 -0.548 -0.420 -10.620 1.00 0.00 O ATOM 712 CB GLU A 47 1.852 -1.795 -10.471 1.00 0.00 C ATOM 713 CG GLU A 47 3.151 -2.448 -10.018 1.00 0.00 C ATOM 714 CD GLU A 47 3.418 -2.258 -8.538 1.00 0.00 C ATOM 715 OE1 GLU A 47 3.945 -1.193 -8.165 1.00 0.00 O ATOM 716 OE2 GLU A 47 3.110 -3.173 -7.741 1.00 0.00 O ATOM 0 H GLU A 47 0.536 -4.337 -9.162 1.00 0.00 H new ATOM 0 HA GLU A 47 0.764 -2.199 -8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.728 -1.953 -11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.921 -0.719 -10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.114 -3.514 -10.242 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.981 -2.031 -10.589 1.00 0.00 H new ATOM 723 N ASN A 48 -1.794 -2.126 -9.864 1.00 0.00 N ATOM 724 CA ASN A 48 -3.061 -1.431 -10.055 1.00 0.00 C ATOM 725 C ASN A 48 -3.564 -0.904 -8.719 1.00 0.00 C ATOM 726 O ASN A 48 -3.992 -1.675 -7.859 1.00 0.00 O ATOM 727 CB ASN A 48 -4.122 -2.351 -10.672 1.00 0.00 C ATOM 728 CG ASN A 48 -3.810 -2.758 -12.097 1.00 0.00 C ATOM 729 OD1 ASN A 48 -3.131 -2.042 -12.833 1.00 0.00 O ATOM 730 ND2 ASN A 48 -4.322 -3.909 -12.502 1.00 0.00 N ATOM 0 H ASN A 48 -1.886 -3.083 -9.524 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.888 -0.603 -10.743 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.216 -3.247 -10.058 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.088 -1.846 -10.649 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.159 -4.232 -13.456 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.879 -4.473 -11.861 1.00 0.00 H new ATOM 737 N VAL A 49 -3.501 0.403 -8.539 1.00 0.00 N ATOM 738 CA VAL A 49 -3.923 1.018 -7.288 1.00 0.00 C ATOM 739 C VAL A 49 -5.335 1.576 -7.419 1.00 0.00 C ATOM 740 O VAL A 49 -5.562 2.539 -8.141 1.00 0.00 O ATOM 741 CB VAL A 49 -2.973 2.158 -6.866 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.217 2.553 -5.414 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.522 1.760 -7.089 1.00 0.00 C ATOM 0 H VAL A 49 -3.162 1.061 -9.241 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.899 0.241 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.182 3.027 -7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.537 3.358 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.247 2.891 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.042 1.692 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.869 2.578 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.293 0.874 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.363 1.542 -8.145 1.00 0.00 H new ATOM 753 N HIS A 50 -6.283 0.968 -6.728 1.00 0.00 N ATOM 754 CA HIS A 50 -7.669 1.418 -6.783 1.00 0.00 C ATOM 755 C HIS A 50 -8.009 2.248 -5.550 1.00 0.00 C ATOM 756 O HIS A 50 -8.267 1.702 -4.479 1.00 0.00 O ATOM 757 CB HIS A 50 -8.635 0.230 -6.898 1.00 0.00 C ATOM 758 CG HIS A 50 -8.627 -0.440 -8.242 1.00 0.00 C ATOM 759 ND1 HIS A 50 -9.730 -0.489 -9.068 1.00 0.00 N ATOM 760 CD2 HIS A 50 -7.644 -1.101 -8.899 1.00 0.00 C ATOM 761 CE1 HIS A 50 -9.426 -1.151 -10.167 1.00 0.00 C ATOM 762 NE2 HIS A 50 -8.168 -1.532 -10.090 1.00 0.00 N ATOM 0 H HIS A 50 -6.122 0.163 -6.123 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.782 2.038 -7.672 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.381 -0.506 -6.136 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.646 0.576 -6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.635 -1.259 -8.549 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.096 -1.348 -10.991 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -7.665 -2.062 -10.801 1.00 0.00 H new ATOM 771 N ILE A 51 -7.985 3.564 -5.702 1.00 0.00 N ATOM 772 CA ILE A 51 -8.298 4.470 -4.605 1.00 0.00 C ATOM 773 C ILE A 51 -9.794 4.760 -4.578 1.00 0.00 C ATOM 774 O ILE A 51 -10.323 5.429 -5.468 1.00 0.00 O ATOM 775 CB ILE A 51 -7.537 5.820 -4.700 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.018 5.616 -4.749 1.00 0.00 C ATOM 777 CG2 ILE A 51 -7.900 6.715 -3.520 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.483 5.285 -6.126 1.00 0.00 C ATOM 0 H ILE A 51 -7.751 4.031 -6.578 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.981 3.968 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.841 6.301 -5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.529 6.521 -4.389 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.748 4.813 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.359 7.658 -3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.972 6.910 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.628 6.218 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.402 5.156 -6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.942 4.363 -6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.720 6.097 -6.813 1.00 0.00 H new ATOM 790 N VAL A 52 -10.476 4.245 -3.571 1.00 0.00 N ATOM 791 CA VAL A 52 -11.893 4.503 -3.407 1.00 0.00 C ATOM 792 C VAL A 52 -12.094 5.730 -2.529 1.00 0.00 C ATOM 793 O VAL A 52 -11.824 5.694 -1.326 1.00 0.00 O ATOM 794 CB VAL A 52 -12.622 3.293 -2.785 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.119 3.543 -2.711 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.326 2.022 -3.571 1.00 0.00 C ATOM 0 H VAL A 52 -10.069 3.645 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.318 4.681 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.250 3.160 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.611 2.677 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.311 4.422 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.510 3.710 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.850 1.182 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.663 2.144 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.253 1.829 -3.561 1.00 0.00 H new ATOM 806 N LEU A 53 -12.549 6.816 -3.140 1.00 0.00 N ATOM 807 CA LEU A 53 -12.741 8.074 -2.429 1.00 0.00 C ATOM 808 C LEU A 53 -13.899 7.975 -1.440 1.00 0.00 C ATOM 809 O LEU A 53 -14.467 6.900 -1.242 1.00 0.00 O ATOM 810 CB LEU A 53 -12.992 9.213 -3.424 1.00 0.00 C ATOM 811 CG LEU A 53 -11.873 9.445 -4.443 1.00 0.00 C ATOM 812 CD1 LEU A 53 -12.233 10.589 -5.378 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.556 9.727 -3.735 1.00 0.00 C ATOM 0 H LEU A 53 -12.793 6.851 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.832 8.287 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.916 9.006 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.149 10.135 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.755 8.539 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.427 10.740 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.153 10.348 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.378 11.501 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.772 9.889 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.660 10.618 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.291 8.876 -3.107 1.00 0.00 H new ATOM 825 N LYS A 54 -14.240 9.103 -0.821 1.00 0.00 N ATOM 826 CA LYS A 54 -15.288 9.145 0.196 1.00 0.00 C ATOM 827 C LYS A 54 -16.581 8.519 -0.324 1.00 0.00 C ATOM 828 O LYS A 54 -17.027 7.483 0.175 1.00 0.00 O ATOM 829 CB LYS A 54 -15.531 10.594 0.629 1.00 0.00 C ATOM 830 CG LYS A 54 -16.531 10.748 1.766 1.00 0.00 C ATOM 831 CD LYS A 54 -16.659 12.201 2.196 1.00 0.00 C ATOM 832 CE LYS A 54 -17.694 12.374 3.297 1.00 0.00 C ATOM 833 NZ LYS A 54 -19.050 11.959 2.854 1.00 0.00 N ATOM 0 H LYS A 54 -13.803 10.005 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.959 8.565 1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.581 11.034 0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.885 11.163 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.504 10.373 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.216 10.142 2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.692 12.563 2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.937 12.811 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.401 11.786 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.718 13.417 3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.758 12.307 3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -19.245 12.358 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.097 10.921 2.806 1.00 0.00 H new ATOM 847 N ASN A 55 -17.172 9.146 -1.328 1.00 0.00 N ATOM 848 CA ASN A 55 -18.358 8.606 -1.977 1.00 0.00 C ATOM 849 C ASN A 55 -18.386 9.083 -3.423 1.00 0.00 C ATOM 850 O ASN A 55 -19.412 9.049 -4.098 1.00 0.00 O ATOM 851 CB ASN A 55 -19.618 9.053 -1.225 1.00 0.00 C ATOM 852 CG ASN A 55 -20.839 8.207 -1.552 1.00 0.00 C ATOM 853 OD1 ASN A 55 -21.594 8.507 -2.478 1.00 0.00 O ATOM 854 ND2 ASN A 55 -21.052 7.149 -0.780 1.00 0.00 N ATOM 0 H ASN A 55 -16.849 10.033 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.330 7.516 -1.962 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.429 9.008 -0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -19.829 10.094 -1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -21.863 6.553 -0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -20.405 6.932 -0.022 1.00 0.00 H new ATOM 861 N ASP A 56 -17.224 9.509 -3.896 1.00 0.00 N ATOM 862 CA ASP A 56 -17.100 10.098 -5.221 1.00 0.00 C ATOM 863 C ASP A 56 -16.978 9.016 -6.286 1.00 0.00 C ATOM 864 O ASP A 56 -17.972 8.618 -6.893 1.00 0.00 O ATOM 865 CB ASP A 56 -15.888 11.035 -5.279 1.00 0.00 C ATOM 866 CG ASP A 56 -15.918 12.098 -4.197 1.00 0.00 C ATOM 867 OD1 ASP A 56 -15.538 11.791 -3.045 1.00 0.00 O ATOM 868 OD2 ASP A 56 -16.327 13.242 -4.489 1.00 0.00 O ATOM 0 H ASP A 56 -16.347 9.457 -3.377 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.002 10.677 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.975 10.448 -5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.853 11.517 -6.256 1.00 0.00 H new ATOM 873 N ASN A 57 -15.759 8.531 -6.502 1.00 0.00 N ATOM 874 CA ASN A 57 -15.508 7.499 -7.500 1.00 0.00 C ATOM 875 C ASN A 57 -14.233 6.749 -7.149 1.00 0.00 C ATOM 876 O ASN A 57 -13.481 7.171 -6.267 1.00 0.00 O ATOM 877 CB ASN A 57 -15.393 8.105 -8.911 1.00 0.00 C ATOM 878 CG ASN A 57 -14.111 8.899 -9.131 1.00 0.00 C ATOM 879 OD1 ASN A 57 -14.029 10.081 -8.793 1.00 0.00 O ATOM 880 ND2 ASN A 57 -13.114 8.271 -9.742 1.00 0.00 N ATOM 0 H ASN A 57 -14.928 8.838 -5.997 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.351 6.807 -7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.445 7.303 -9.647 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.249 8.756 -9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.247 8.768 -9.945 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.215 7.292 -10.008 1.00 0.00 H new ATOM 887 N THR A 58 -14.001 5.634 -7.821 1.00 0.00 N ATOM 888 CA THR A 58 -12.788 4.864 -7.609 1.00 0.00 C ATOM 889 C THR A 58 -11.740 5.231 -8.654 1.00 0.00 C ATOM 890 O THR A 58 -11.997 5.158 -9.856 1.00 0.00 O ATOM 891 CB THR A 58 -13.071 3.352 -7.668 1.00 0.00 C ATOM 892 OG1 THR A 58 -14.211 3.043 -6.855 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.867 2.557 -7.183 1.00 0.00 C ATOM 0 H THR A 58 -14.636 5.243 -8.517 1.00 0.00 H new ATOM 0 HA THR A 58 -12.409 5.105 -6.616 1.00 0.00 H new ATOM 0 HB THR A 58 -13.273 3.078 -8.704 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.390 2.080 -6.895 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.090 1.491 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.007 2.778 -7.815 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.641 2.832 -6.153 1.00 0.00 H new ATOM 901 N VAL A 59 -10.573 5.647 -8.190 1.00 0.00 N ATOM 902 CA VAL A 59 -9.485 6.027 -9.076 1.00 0.00 C ATOM 903 C VAL A 59 -8.496 4.878 -9.195 1.00 0.00 C ATOM 904 O VAL A 59 -7.880 4.482 -8.211 1.00 0.00 O ATOM 905 CB VAL A 59 -8.748 7.278 -8.559 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.740 7.777 -9.588 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.740 8.372 -8.189 1.00 0.00 C ATOM 0 H VAL A 59 -10.354 5.730 -7.197 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.913 6.258 -10.052 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.198 7.003 -7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.232 8.660 -9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.007 6.995 -9.788 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.259 8.032 -10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.199 9.246 -7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.324 8.645 -9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.408 8.009 -7.408 1.00 0.00 H new ATOM 917 N LEU A 60 -8.354 4.333 -10.390 1.00 0.00 N ATOM 918 CA LEU A 60 -7.464 3.204 -10.594 1.00 0.00 C ATOM 919 C LEU A 60 -6.165 3.639 -11.260 1.00 0.00 C ATOM 920 O LEU A 60 -6.152 4.097 -12.405 1.00 0.00 O ATOM 921 CB LEU A 60 -8.140 2.089 -11.415 1.00 0.00 C ATOM 922 CG LEU A 60 -8.568 2.454 -12.842 1.00 0.00 C ATOM 923 CD1 LEU A 60 -8.769 1.192 -13.662 1.00 0.00 C ATOM 924 CD2 LEU A 60 -9.848 3.276 -12.840 1.00 0.00 C ATOM 0 H LEU A 60 -8.840 4.651 -11.229 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.228 2.801 -9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.455 1.243 -11.470 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.021 1.751 -10.870 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.777 3.056 -13.288 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.073 1.460 -14.674 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.836 0.630 -13.700 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.543 0.578 -13.201 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.126 3.519 -13.866 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.648 2.702 -12.374 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.688 4.197 -12.279 1.00 0.00 H new ATOM 936 N LEU A 61 -5.077 3.512 -10.521 1.00 0.00 N ATOM 937 CA LEU A 61 -3.753 3.735 -11.065 1.00 0.00 C ATOM 938 C LEU A 61 -3.279 2.445 -11.704 1.00 0.00 C ATOM 939 O LEU A 61 -2.690 1.592 -11.042 1.00 0.00 O ATOM 940 CB LEU A 61 -2.766 4.166 -9.973 1.00 0.00 C ATOM 941 CG LEU A 61 -3.257 5.266 -9.029 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.169 5.630 -8.035 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.696 6.493 -9.808 1.00 0.00 C ATOM 0 H LEU A 61 -5.087 3.253 -9.534 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.800 4.537 -11.802 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.507 3.291 -9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.849 4.508 -10.453 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.120 4.887 -8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.531 6.414 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.903 4.750 -7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.290 5.988 -8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.041 7.260 -9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.855 6.877 -10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.508 6.224 -10.484 1.00 0.00 H new ATOM 955 N LYS A 62 -3.600 2.285 -12.973 1.00 0.00 N ATOM 956 CA LYS A 62 -3.293 1.059 -13.692 1.00 0.00 C ATOM 957 C LYS A 62 -1.844 1.034 -14.163 1.00 0.00 C ATOM 958 O LYS A 62 -1.485 1.665 -15.161 1.00 0.00 O ATOM 959 CB LYS A 62 -4.259 0.890 -14.870 1.00 0.00 C ATOM 960 CG LYS A 62 -4.468 2.169 -15.670 1.00 0.00 C ATOM 961 CD LYS A 62 -5.584 2.026 -16.692 1.00 0.00 C ATOM 962 CE LYS A 62 -5.843 3.344 -17.403 1.00 0.00 C ATOM 963 NZ LYS A 62 -7.020 3.275 -18.310 1.00 0.00 N ATOM 0 H LYS A 62 -4.076 2.992 -13.532 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.421 0.219 -13.009 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.879 0.113 -15.534 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.222 0.544 -14.494 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.702 2.988 -14.990 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.541 2.433 -16.180 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.318 1.261 -17.422 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.495 1.691 -16.196 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.003 4.128 -16.663 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.960 3.624 -17.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.157 4.197 -18.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.858 2.546 -19.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.869 3.034 -17.759 1.00 0.00 H new ATOM 977 N GLY A 63 -1.011 0.325 -13.415 1.00 0.00 N ATOM 978 CA GLY A 63 0.374 0.154 -13.793 1.00 0.00 C ATOM 979 C GLY A 63 1.273 1.215 -13.198 1.00 0.00 C ATOM 980 O GLY A 63 0.923 2.397 -13.171 1.00 0.00 O ATOM 0 H GLY A 63 -1.275 -0.138 -12.545 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.716 -0.830 -13.471 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.456 0.180 -14.880 1.00 0.00 H new ATOM 984 N LEU A 64 2.428 0.795 -12.715 1.00 0.00 N ATOM 985 CA LEU A 64 3.425 1.719 -12.193 1.00 0.00 C ATOM 986 C LEU A 64 4.699 1.610 -13.018 1.00 0.00 C ATOM 987 O LEU A 64 5.155 2.593 -13.605 1.00 0.00 O ATOM 988 CB LEU A 64 3.723 1.432 -10.717 1.00 0.00 C ATOM 989 CG LEU A 64 4.713 2.398 -10.054 1.00 0.00 C ATOM 990 CD1 LEU A 64 4.145 3.808 -10.023 1.00 0.00 C ATOM 991 CD2 LEU A 64 5.059 1.934 -8.647 1.00 0.00 C ATOM 0 H LEU A 64 2.702 -0.186 -12.672 1.00 0.00 H new ATOM 0 HA LEU A 64 3.031 2.733 -12.264 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.786 1.459 -10.161 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.116 0.419 -10.632 1.00 0.00 H new ATOM 0 HG LEU A 64 5.628 2.407 -10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.862 4.479 -9.549 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.952 4.145 -11.041 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.214 3.813 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.762 2.634 -8.196 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.152 1.892 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.511 0.943 -8.692 1.00 0.00 H new ATOM 1003 N LYS A 65 5.253 0.401 -13.068 1.00 0.00 N ATOM 1004 CA LYS A 65 6.428 0.118 -13.882 1.00 0.00 C ATOM 1005 C LYS A 65 6.661 -1.388 -13.988 1.00 0.00 C ATOM 1006 O LYS A 65 6.466 -1.983 -15.046 1.00 0.00 O ATOM 1007 CB LYS A 65 7.685 0.787 -13.316 1.00 0.00 C ATOM 1008 CG LYS A 65 8.905 0.545 -14.185 1.00 0.00 C ATOM 1009 CD LYS A 65 10.186 1.052 -13.546 1.00 0.00 C ATOM 1010 CE LYS A 65 11.380 0.747 -14.433 1.00 0.00 C ATOM 1011 NZ LYS A 65 12.668 1.120 -13.801 1.00 0.00 N ATOM 0 H LYS A 65 4.902 -0.404 -12.549 1.00 0.00 H new ATOM 0 HA LYS A 65 6.236 0.528 -14.873 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.514 1.860 -13.224 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.875 0.408 -12.312 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.000 -0.523 -14.383 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.764 1.036 -15.148 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.115 2.127 -13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.322 0.586 -12.570 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.390 -0.317 -14.670 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.274 1.282 -15.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.451 0.892 -14.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.673 2.140 -13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.786 0.590 -12.914 1.00 0.00 H new ATOM 1025 N ASN A 66 7.069 -2.002 -12.882 1.00 0.00 N ATOM 1026 CA ASN A 66 7.409 -3.419 -12.875 1.00 0.00 C ATOM 1027 C ASN A 66 7.196 -3.991 -11.469 1.00 0.00 C ATOM 1028 O ASN A 66 6.208 -3.642 -10.824 1.00 0.00 O ATOM 1029 CB ASN A 66 8.860 -3.597 -13.367 1.00 0.00 C ATOM 1030 CG ASN A 66 9.239 -5.046 -13.644 1.00 0.00 C ATOM 1031 OD1 ASN A 66 9.901 -5.692 -12.831 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.806 -5.574 -14.775 1.00 0.00 N ATOM 0 H ASN A 66 7.172 -1.539 -11.979 1.00 0.00 H new ATOM 0 HA ASN A 66 6.759 -3.972 -13.553 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.000 -3.014 -14.277 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.540 -3.189 -12.619 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.018 -6.547 -14.998 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.260 -5.009 -15.425 1.00 0.00 H new ATOM 1039 N ILE A 67 8.111 -4.844 -11.006 1.00 0.00 N ATOM 1040 CA ILE A 67 7.980 -5.545 -9.728 1.00 0.00 C ATOM 1041 C ILE A 67 6.922 -6.641 -9.833 1.00 0.00 C ATOM 1042 O ILE A 67 5.725 -6.365 -9.861 1.00 0.00 O ATOM 1043 CB ILE A 67 7.631 -4.589 -8.560 1.00 0.00 C ATOM 1044 CG1 ILE A 67 8.734 -3.537 -8.387 1.00 0.00 C ATOM 1045 CG2 ILE A 67 7.429 -5.372 -7.266 1.00 0.00 C ATOM 1046 CD1 ILE A 67 8.424 -2.495 -7.334 1.00 0.00 C ATOM 0 H ILE A 67 8.969 -5.069 -11.510 1.00 0.00 H new ATOM 0 HA ILE A 67 8.951 -5.988 -9.508 1.00 0.00 H new ATOM 0 HB ILE A 67 6.698 -4.078 -8.798 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.665 -4.040 -8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.900 -3.037 -9.342 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.185 -4.683 -6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.613 -6.084 -7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.344 -5.910 -7.020 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.250 -1.786 -7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.511 -1.965 -7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.288 -2.983 -6.369 1.00 0.00 H new ATOM 1058 N VAL A 68 7.374 -7.886 -9.927 1.00 0.00 N ATOM 1059 CA VAL A 68 6.472 -9.023 -10.026 1.00 0.00 C ATOM 1060 C VAL A 68 7.159 -10.311 -9.558 1.00 0.00 C ATOM 1061 O VAL A 68 7.926 -10.936 -10.288 1.00 0.00 O ATOM 1062 CB VAL A 68 5.909 -9.190 -11.465 1.00 0.00 C ATOM 1063 CG1 VAL A 68 7.021 -9.284 -12.503 1.00 0.00 C ATOM 1064 CG2 VAL A 68 4.994 -10.400 -11.553 1.00 0.00 C ATOM 0 H VAL A 68 8.364 -8.132 -9.937 1.00 0.00 H new ATOM 0 HA VAL A 68 5.628 -8.824 -9.365 1.00 0.00 H new ATOM 0 HB VAL A 68 5.326 -8.296 -11.688 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.584 -9.400 -13.495 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.622 -8.375 -12.475 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.653 -10.144 -12.282 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.613 -10.495 -12.570 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.552 -11.298 -11.289 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.159 -10.276 -10.863 1.00 0.00 H new ATOM 1074 N SER A 69 6.910 -10.679 -8.310 1.00 0.00 N ATOM 1075 CA SER A 69 7.464 -11.903 -7.753 1.00 0.00 C ATOM 1076 C SER A 69 6.650 -12.363 -6.550 1.00 0.00 C ATOM 1077 O SER A 69 7.178 -12.990 -5.631 1.00 0.00 O ATOM 1078 CB SER A 69 8.926 -11.689 -7.361 1.00 0.00 C ATOM 1079 OG SER A 69 9.089 -10.505 -6.596 1.00 0.00 O ATOM 0 H SER A 69 6.327 -10.147 -7.664 1.00 0.00 H new ATOM 0 HA SER A 69 7.417 -12.682 -8.513 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.280 -12.546 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.540 -11.631 -8.259 1.00 0.00 H new ATOM 0 HG SER A 69 8.554 -10.568 -5.778 1.00 0.00 H new ATOM 1085 N VAL A 70 5.359 -12.053 -6.572 1.00 0.00 N ATOM 1086 CA VAL A 70 4.459 -12.468 -5.505 1.00 0.00 C ATOM 1087 C VAL A 70 4.355 -13.988 -5.478 1.00 0.00 C ATOM 1088 O VAL A 70 3.994 -14.614 -6.475 1.00 0.00 O ATOM 1089 CB VAL A 70 3.051 -11.850 -5.669 1.00 0.00 C ATOM 1090 CG1 VAL A 70 2.119 -12.310 -4.554 1.00 0.00 C ATOM 1091 CG2 VAL A 70 3.134 -10.332 -5.702 1.00 0.00 C ATOM 0 H VAL A 70 4.913 -11.516 -7.316 1.00 0.00 H new ATOM 0 HA VAL A 70 4.873 -12.109 -4.563 1.00 0.00 H new ATOM 0 HB VAL A 70 2.640 -12.195 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.136 -11.861 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.029 -13.396 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.525 -12.003 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.133 -9.915 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.572 -9.971 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.756 -10.020 -6.541 1.00 0.00 H new ATOM 1101 N LYS A 71 4.700 -14.570 -4.342 1.00 0.00 N ATOM 1102 CA LYS A 71 4.730 -16.016 -4.198 1.00 0.00 C ATOM 1103 C LYS A 71 3.333 -16.586 -4.004 1.00 0.00 C ATOM 1104 O LYS A 71 2.405 -15.875 -3.620 1.00 0.00 O ATOM 1105 CB LYS A 71 5.615 -16.408 -3.015 1.00 0.00 C ATOM 1106 CG LYS A 71 7.100 -16.237 -3.278 1.00 0.00 C ATOM 1107 CD LYS A 71 7.917 -16.531 -2.035 1.00 0.00 C ATOM 1108 CE LYS A 71 9.401 -16.579 -2.347 1.00 0.00 C ATOM 1109 NZ LYS A 71 9.753 -17.765 -3.168 1.00 0.00 N ATOM 0 H LYS A 71 4.965 -14.059 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 71 5.142 -16.433 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.337 -15.806 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.419 -17.448 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.408 -16.903 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.297 -15.219 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.726 -15.765 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.602 -17.483 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.691 -15.671 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.968 -16.600 -1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.779 -17.927 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.254 -18.601 -2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.473 -17.599 -4.156 1.00 0.00 H new ATOM 1123 N PHE A 72 3.196 -17.882 -4.266 1.00 0.00 N ATOM 1124 CA PHE A 72 1.939 -18.577 -4.027 1.00 0.00 C ATOM 1125 C PHE A 72 1.880 -19.042 -2.578 1.00 0.00 C ATOM 1126 O PHE A 72 0.929 -19.693 -2.153 1.00 0.00 O ATOM 1127 CB PHE A 72 1.767 -19.760 -4.990 1.00 0.00 C ATOM 1128 CG PHE A 72 2.865 -20.786 -4.927 1.00 0.00 C ATOM 1129 CD1 PHE A 72 3.995 -20.662 -5.719 1.00 0.00 C ATOM 1130 CD2 PHE A 72 2.763 -21.878 -4.081 1.00 0.00 C ATOM 1131 CE1 PHE A 72 5.002 -21.605 -5.665 1.00 0.00 C ATOM 1132 CE2 PHE A 72 3.768 -22.825 -4.024 1.00 0.00 C ATOM 1133 CZ PHE A 72 4.888 -22.688 -4.818 1.00 0.00 C ATOM 0 H PHE A 72 3.939 -18.470 -4.643 1.00 0.00 H new ATOM 0 HA PHE A 72 1.117 -17.886 -4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.817 -20.250 -4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.705 -19.376 -6.008 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.089 -19.818 -6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.888 -21.991 -3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.879 -21.495 -6.286 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.677 -23.671 -3.359 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.674 -23.427 -4.777 1.00 0.00 H new ATOM 1143 N SER A 73 2.920 -18.702 -1.833 1.00 0.00 N ATOM 1144 CA SER A 73 2.965 -18.952 -0.406 1.00 0.00 C ATOM 1145 C SER A 73 2.387 -17.760 0.341 1.00 0.00 C ATOM 1146 O SER A 73 2.282 -16.667 -0.213 1.00 0.00 O ATOM 1147 CB SER A 73 4.405 -19.198 0.039 1.00 0.00 C ATOM 1148 OG SER A 73 4.982 -20.269 -0.686 1.00 0.00 O ATOM 0 H SER A 73 3.754 -18.246 -2.202 1.00 0.00 H new ATOM 0 HA SER A 73 2.372 -19.838 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.995 -18.294 -0.109 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.427 -19.422 1.106 1.00 0.00 H new ATOM 0 HG SER A 73 5.905 -20.408 -0.386 1.00 0.00 H new ATOM 1154 N LYS A 74 2.004 -17.975 1.586 1.00 0.00 N ATOM 1155 CA LYS A 74 1.438 -16.915 2.400 1.00 0.00 C ATOM 1156 C LYS A 74 2.003 -16.974 3.817 1.00 0.00 C ATOM 1157 O LYS A 74 1.732 -17.911 4.570 1.00 0.00 O ATOM 1158 CB LYS A 74 -0.095 -17.004 2.400 1.00 0.00 C ATOM 1159 CG LYS A 74 -0.638 -18.408 2.629 1.00 0.00 C ATOM 1160 CD LYS A 74 -1.586 -18.831 1.515 1.00 0.00 C ATOM 1161 CE LYS A 74 -0.885 -18.851 0.161 1.00 0.00 C ATOM 1162 NZ LYS A 74 -1.768 -19.347 -0.928 1.00 0.00 N ATOM 0 H LYS A 74 2.075 -18.877 2.057 1.00 0.00 H new ATOM 0 HA LYS A 74 1.716 -15.952 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.486 -16.344 3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.469 -16.633 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.190 -19.114 2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.160 -18.445 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.986 -19.821 1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.433 -18.146 1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.543 -17.845 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.001 -19.483 0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.186 -19.678 -1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.349 -20.133 -0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.388 -18.577 -1.250 1.00 0.00 H new ATOM 1176 N ASP A 75 2.819 -15.983 4.157 1.00 0.00 N ATOM 1177 CA ASP A 75 3.483 -15.942 5.455 1.00 0.00 C ATOM 1178 C ASP A 75 3.244 -14.600 6.139 1.00 0.00 C ATOM 1179 O ASP A 75 3.327 -13.549 5.507 1.00 0.00 O ATOM 1180 CB ASP A 75 4.986 -16.188 5.288 1.00 0.00 C ATOM 1181 CG ASP A 75 5.723 -16.214 6.611 1.00 0.00 C ATOM 1182 OD1 ASP A 75 5.735 -17.274 7.270 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.300 -15.179 6.996 1.00 0.00 O ATOM 0 H ASP A 75 3.037 -15.194 3.549 1.00 0.00 H new ATOM 0 HA ASP A 75 3.063 -16.729 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.140 -17.136 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.410 -15.408 4.656 1.00 0.00 H new ATOM 1188 N ARG A 76 2.954 -14.641 7.430 1.00 0.00 N ATOM 1189 CA ARG A 76 2.626 -13.436 8.180 1.00 0.00 C ATOM 1190 C ARG A 76 3.831 -12.911 8.955 1.00 0.00 C ATOM 1191 O ARG A 76 3.906 -11.722 9.267 1.00 0.00 O ATOM 1192 CB ARG A 76 1.451 -13.707 9.117 1.00 0.00 C ATOM 1193 CG ARG A 76 0.119 -13.788 8.390 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.977 -14.351 9.276 1.00 0.00 C ATOM 1195 NE ARG A 76 -0.811 -15.785 9.508 1.00 0.00 N ATOM 1196 CZ ARG A 76 -1.503 -16.729 8.866 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -2.416 -16.390 7.965 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -1.292 -18.010 9.132 1.00 0.00 N ATOM 0 H ARG A 76 2.939 -15.498 7.983 1.00 0.00 H new ATOM 0 HA ARG A 76 2.338 -12.662 7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.626 -14.642 9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.402 -12.918 9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.167 -12.794 8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.227 -14.414 7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.976 -13.827 10.232 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.947 -14.168 8.813 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.125 -16.082 10.202 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.591 -15.406 7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.943 -17.113 7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.598 -18.278 9.830 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.823 -18.728 8.639 1.00 0.00 H new ATOM 1212 N HIS A 77 4.781 -13.791 9.247 1.00 0.00 N ATOM 1213 CA HIS A 77 5.986 -13.396 9.971 1.00 0.00 C ATOM 1214 C HIS A 77 6.862 -12.488 9.118 1.00 0.00 C ATOM 1215 O HIS A 77 7.508 -11.577 9.631 1.00 0.00 O ATOM 1216 CB HIS A 77 6.784 -14.623 10.426 1.00 0.00 C ATOM 1217 CG HIS A 77 6.162 -15.344 11.580 1.00 0.00 C ATOM 1218 ND1 HIS A 77 6.048 -16.716 11.641 1.00 0.00 N ATOM 1219 CD2 HIS A 77 5.630 -14.874 12.733 1.00 0.00 C ATOM 1220 CE1 HIS A 77 5.474 -17.056 12.778 1.00 0.00 C ATOM 1221 NE2 HIS A 77 5.211 -15.958 13.458 1.00 0.00 N ATOM 0 H HIS A 77 4.742 -14.779 8.996 1.00 0.00 H new ATOM 0 HA HIS A 77 5.671 -12.843 10.856 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.884 -15.313 9.588 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.791 -14.310 10.703 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.551 -13.838 13.026 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.256 -18.064 13.098 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.767 -15.921 14.376 1.00 0.00 H new ATOM 1230 N LEU A 78 6.877 -12.734 7.816 1.00 0.00 N ATOM 1231 CA LEU A 78 7.644 -11.905 6.901 1.00 0.00 C ATOM 1232 C LEU A 78 7.016 -10.519 6.798 1.00 0.00 C ATOM 1233 O LEU A 78 7.718 -9.521 6.670 1.00 0.00 O ATOM 1234 CB LEU A 78 7.738 -12.569 5.526 1.00 0.00 C ATOM 1235 CG LEU A 78 8.698 -11.898 4.537 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.099 -11.812 5.125 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.723 -12.658 3.221 1.00 0.00 C ATOM 0 H LEU A 78 6.368 -13.498 7.372 1.00 0.00 H new ATOM 0 HA LEU A 78 8.656 -11.795 7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.049 -13.605 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.743 -12.590 5.083 1.00 0.00 H new ATOM 0 HG LEU A 78 8.341 -10.886 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.766 -11.333 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.073 -11.226 6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.464 -12.815 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.410 -12.168 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.055 -13.681 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.722 -12.671 2.789 1.00 0.00 H new ATOM 1249 N ILE A 79 5.690 -10.464 6.873 1.00 0.00 N ATOM 1250 CA ILE A 79 4.981 -9.188 6.927 1.00 0.00 C ATOM 1251 C ILE A 79 5.376 -8.440 8.197 1.00 0.00 C ATOM 1252 O ILE A 79 5.726 -7.260 8.161 1.00 0.00 O ATOM 1253 CB ILE A 79 3.451 -9.389 6.925 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.023 -10.220 5.714 1.00 0.00 C ATOM 1255 CG2 ILE A 79 2.732 -8.045 6.933 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.551 -10.579 5.713 1.00 0.00 C ATOM 0 H ILE A 79 5.085 -11.285 6.898 1.00 0.00 H new ATOM 0 HA ILE A 79 5.257 -8.615 6.042 1.00 0.00 H new ATOM 0 HB ILE A 79 3.174 -9.930 7.830 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.254 -9.666 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.612 -11.137 5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.654 -8.209 6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.013 -7.487 7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.014 -7.476 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.321 -11.168 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.318 -11.161 6.605 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.954 -9.667 5.708 1.00 0.00 H new ATOM 1268 N GLU A 80 5.331 -9.164 9.308 1.00 0.00 N ATOM 1269 CA GLU A 80 5.701 -8.640 10.618 1.00 0.00 C ATOM 1270 C GLU A 80 7.120 -8.072 10.612 1.00 0.00 C ATOM 1271 O GLU A 80 7.340 -6.916 10.981 1.00 0.00 O ATOM 1272 CB GLU A 80 5.599 -9.765 11.647 1.00 0.00 C ATOM 1273 CG GLU A 80 6.052 -9.379 13.042 1.00 0.00 C ATOM 1274 CD GLU A 80 6.284 -10.590 13.914 1.00 0.00 C ATOM 1275 OE1 GLU A 80 5.298 -11.234 14.319 1.00 0.00 O ATOM 1276 OE2 GLU A 80 7.459 -10.909 14.194 1.00 0.00 O ATOM 0 H GLU A 80 5.034 -10.140 9.326 1.00 0.00 H new ATOM 0 HA GLU A 80 5.020 -7.829 10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.564 -10.105 11.695 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.197 -10.610 11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.971 -8.797 12.977 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.301 -8.738 13.503 1.00 0.00 H new ATOM 1283 N THR A 81 8.074 -8.890 10.185 1.00 0.00 N ATOM 1284 CA THR A 81 9.475 -8.496 10.182 1.00 0.00 C ATOM 1285 C THR A 81 9.733 -7.324 9.236 1.00 0.00 C ATOM 1286 O THR A 81 10.564 -6.464 9.526 1.00 0.00 O ATOM 1287 CB THR A 81 10.391 -9.680 9.821 1.00 0.00 C ATOM 1288 OG1 THR A 81 9.824 -10.430 8.739 1.00 0.00 O ATOM 1289 CG2 THR A 81 10.597 -10.588 11.023 1.00 0.00 C ATOM 0 H THR A 81 7.901 -9.833 9.836 1.00 0.00 H new ATOM 0 HA THR A 81 9.712 -8.172 11.195 1.00 0.00 H new ATOM 0 HB THR A 81 11.359 -9.282 9.515 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.074 -10.967 9.071 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.247 -11.418 10.745 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.057 -10.021 11.832 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.634 -10.977 11.354 1.00 0.00 H new ATOM 1297 N THR A 82 9.013 -7.281 8.120 1.00 0.00 N ATOM 1298 CA THR A 82 9.144 -6.176 7.180 1.00 0.00 C ATOM 1299 C THR A 82 8.553 -4.892 7.771 1.00 0.00 C ATOM 1300 O THR A 82 9.121 -3.809 7.612 1.00 0.00 O ATOM 1301 CB THR A 82 8.480 -6.504 5.827 1.00 0.00 C ATOM 1302 OG1 THR A 82 9.018 -7.728 5.310 1.00 0.00 O ATOM 1303 CG2 THR A 82 8.715 -5.392 4.817 1.00 0.00 C ATOM 0 H THR A 82 8.337 -7.994 7.846 1.00 0.00 H new ATOM 0 HA THR A 82 10.208 -6.020 6.999 1.00 0.00 H new ATOM 0 HB THR A 82 7.407 -6.605 5.992 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.528 -8.487 5.690 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.236 -5.651 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.292 -4.461 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.786 -5.266 4.658 1.00 0.00 H new ATOM 1311 N SER A 83 7.429 -5.024 8.474 1.00 0.00 N ATOM 1312 CA SER A 83 6.828 -3.896 9.179 1.00 0.00 C ATOM 1313 C SER A 83 7.804 -3.336 10.211 1.00 0.00 C ATOM 1314 O SER A 83 8.095 -2.137 10.224 1.00 0.00 O ATOM 1315 CB SER A 83 5.524 -4.329 9.866 1.00 0.00 C ATOM 1316 OG SER A 83 5.038 -3.319 10.739 1.00 0.00 O ATOM 0 H SER A 83 6.917 -5.901 8.570 1.00 0.00 H new ATOM 0 HA SER A 83 6.599 -3.116 8.453 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.770 -4.553 9.111 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.695 -5.247 10.428 1.00 0.00 H new ATOM 0 HG SER A 83 4.081 -3.180 10.578 1.00 0.00 H new ATOM 1322 N ASN A 84 8.334 -4.215 11.056 1.00 0.00 N ATOM 1323 CA ASN A 84 9.281 -3.806 12.087 1.00 0.00 C ATOM 1324 C ASN A 84 10.555 -3.250 11.453 1.00 0.00 C ATOM 1325 O ASN A 84 11.183 -2.338 11.990 1.00 0.00 O ATOM 1326 CB ASN A 84 9.619 -4.981 13.011 1.00 0.00 C ATOM 1327 CG ASN A 84 10.487 -4.570 14.190 1.00 0.00 C ATOM 1328 OD1 ASN A 84 10.415 -3.437 14.667 1.00 0.00 O ATOM 1329 ND2 ASN A 84 11.303 -5.492 14.680 1.00 0.00 N ATOM 0 H ASN A 84 8.124 -5.213 11.047 1.00 0.00 H new ATOM 0 HA ASN A 84 8.816 -3.021 12.683 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.695 -5.423 13.382 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.133 -5.752 12.438 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.899 -5.273 15.479 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.335 -6.420 14.258 1.00 0.00 H new ATOM 1336 N LYS A 85 10.921 -3.799 10.300 1.00 0.00 N ATOM 1337 CA LYS A 85 12.080 -3.329 9.552 1.00 0.00 C ATOM 1338 C LYS A 85 11.893 -1.868 9.159 1.00 0.00 C ATOM 1339 O LYS A 85 12.778 -1.038 9.368 1.00 0.00 O ATOM 1340 CB LYS A 85 12.285 -4.180 8.297 1.00 0.00 C ATOM 1341 CG LYS A 85 13.586 -3.898 7.560 1.00 0.00 C ATOM 1342 CD LYS A 85 14.798 -4.354 8.359 1.00 0.00 C ATOM 1343 CE LYS A 85 14.760 -5.849 8.636 1.00 0.00 C ATOM 1344 NZ LYS A 85 14.679 -6.651 7.386 1.00 0.00 N ATOM 0 H LYS A 85 10.427 -4.576 9.861 1.00 0.00 H new ATOM 0 HA LYS A 85 12.961 -3.419 10.187 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.260 -5.233 8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.451 -4.011 7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.575 -4.405 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.665 -2.830 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.708 -4.108 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.837 -3.810 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.652 -6.136 9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.902 -6.078 9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.842 -7.654 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.736 -6.539 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.402 -6.322 6.715 1.00 0.00 H new ATOM 1358 N LEU A 86 10.729 -1.563 8.596 1.00 0.00 N ATOM 1359 CA LEU A 86 10.401 -0.201 8.202 1.00 0.00 C ATOM 1360 C LEU A 86 10.318 0.702 9.425 1.00 0.00 C ATOM 1361 O LEU A 86 10.854 1.808 9.429 1.00 0.00 O ATOM 1362 CB LEU A 86 9.072 -0.177 7.442 1.00 0.00 C ATOM 1363 CG LEU A 86 8.574 1.209 7.020 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.541 1.855 6.042 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.186 1.106 6.405 1.00 0.00 C ATOM 0 H LEU A 86 9.995 -2.245 8.402 1.00 0.00 H new ATOM 0 HA LEU A 86 11.190 0.169 7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.174 -0.794 6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.309 -0.643 8.066 1.00 0.00 H new ATOM 0 HG LEU A 86 8.517 1.838 7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.167 2.838 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.518 1.961 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.633 1.229 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.844 2.098 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.224 0.459 5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.494 0.687 7.136 1.00 0.00 H new ATOM 1377 N LYS A 87 9.657 0.207 10.462 1.00 0.00 N ATOM 1378 CA LYS A 87 9.485 0.944 11.710 1.00 0.00 C ATOM 1379 C LYS A 87 10.833 1.314 12.335 1.00 0.00 C ATOM 1380 O LYS A 87 10.984 2.388 12.915 1.00 0.00 O ATOM 1381 CB LYS A 87 8.656 0.103 12.690 1.00 0.00 C ATOM 1382 CG LYS A 87 8.452 0.745 14.053 1.00 0.00 C ATOM 1383 CD LYS A 87 7.567 -0.119 14.939 1.00 0.00 C ATOM 1384 CE LYS A 87 7.391 0.484 16.324 1.00 0.00 C ATOM 1385 NZ LYS A 87 8.676 0.558 17.066 1.00 0.00 N ATOM 0 H LYS A 87 9.224 -0.717 10.464 1.00 0.00 H new ATOM 0 HA LYS A 87 8.960 1.874 11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.681 -0.094 12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.145 -0.861 12.826 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.418 0.896 14.535 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.999 1.729 13.931 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.591 -0.241 14.469 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.004 -1.114 15.029 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.967 1.484 16.233 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.678 -0.114 16.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.487 0.763 18.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.175 -0.351 16.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.266 1.313 16.663 1.00 0.00 H new ATOM 1399 N SER A 88 11.815 0.434 12.192 1.00 0.00 N ATOM 1400 CA SER A 88 13.102 0.627 12.842 1.00 0.00 C ATOM 1401 C SER A 88 14.106 1.360 11.947 1.00 0.00 C ATOM 1402 O SER A 88 14.736 2.326 12.379 1.00 0.00 O ATOM 1403 CB SER A 88 13.677 -0.726 13.271 1.00 0.00 C ATOM 1404 OG SER A 88 12.750 -1.447 14.068 1.00 0.00 O ATOM 0 H SER A 88 11.745 -0.417 11.634 1.00 0.00 H new ATOM 0 HA SER A 88 12.932 1.254 13.717 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.934 -1.311 12.388 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.599 -0.571 13.831 1.00 0.00 H new ATOM 0 HG SER A 88 12.074 -1.860 13.491 1.00 0.00 H new ATOM 1410 N ARG A 89 14.252 0.916 10.704 1.00 0.00 N ATOM 1411 CA ARG A 89 15.327 1.419 9.854 1.00 0.00 C ATOM 1412 C ARG A 89 14.860 2.513 8.896 1.00 0.00 C ATOM 1413 O ARG A 89 15.687 3.260 8.374 1.00 0.00 O ATOM 1414 CB ARG A 89 15.951 0.280 9.043 1.00 0.00 C ATOM 1415 CG ARG A 89 16.443 -0.890 9.881 1.00 0.00 C ATOM 1416 CD ARG A 89 17.302 -1.841 9.061 1.00 0.00 C ATOM 1417 NE ARG A 89 18.571 -1.228 8.672 1.00 0.00 N ATOM 1418 CZ ARG A 89 19.109 -1.311 7.456 1.00 0.00 C ATOM 1419 NH1 ARG A 89 18.501 -1.998 6.491 1.00 0.00 N ATOM 1420 NH2 ARG A 89 20.265 -0.707 7.208 1.00 0.00 N ATOM 0 H ARG A 89 13.650 0.219 10.266 1.00 0.00 H new ATOM 0 HA ARG A 89 16.068 1.854 10.525 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.215 -0.086 8.327 1.00 0.00 H new ATOM 0 HB3 ARG A 89 16.787 0.676 8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.019 -0.516 10.727 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.589 -1.430 10.290 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.497 -2.745 9.639 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.756 -2.145 8.168 1.00 0.00 H new ATOM 0 HE ARG A 89 19.080 -0.700 9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.615 -2.467 6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.921 -2.055 5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.736 -0.184 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.683 -0.766 6.279 1.00 0.00 H new ATOM 1434 N GLU A 90 13.546 2.617 8.681 1.00 0.00 N ATOM 1435 CA GLU A 90 12.998 3.506 7.649 1.00 0.00 C ATOM 1436 C GLU A 90 13.554 3.119 6.277 1.00 0.00 C ATOM 1437 O GLU A 90 14.396 3.816 5.704 1.00 0.00 O ATOM 1438 CB GLU A 90 13.314 4.976 7.952 1.00 0.00 C ATOM 1439 CG GLU A 90 12.613 5.525 9.185 1.00 0.00 C ATOM 1440 CD GLU A 90 11.140 5.793 8.952 1.00 0.00 C ATOM 1441 OE1 GLU A 90 10.811 6.866 8.405 1.00 0.00 O ATOM 1442 OE2 GLU A 90 10.308 4.950 9.336 1.00 0.00 O ATOM 0 H GLU A 90 12.842 2.098 9.206 1.00 0.00 H new ATOM 0 HA GLU A 90 11.914 3.391 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 90 14.391 5.085 8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 90 13.034 5.581 7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.723 4.816 10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.101 6.449 9.494 1.00 0.00 H new ATOM 1449 N ILE A 91 13.098 1.985 5.771 1.00 0.00 N ATOM 1450 CA ILE A 91 13.601 1.453 4.515 1.00 0.00 C ATOM 1451 C ILE A 91 12.801 1.992 3.338 1.00 0.00 C ATOM 1452 O ILE A 91 11.682 2.474 3.511 1.00 0.00 O ATOM 1453 CB ILE A 91 13.559 -0.091 4.490 1.00 0.00 C ATOM 1454 CG1 ILE A 91 12.130 -0.602 4.716 1.00 0.00 C ATOM 1455 CG2 ILE A 91 14.502 -0.657 5.541 1.00 0.00 C ATOM 1456 CD1 ILE A 91 11.994 -2.108 4.619 1.00 0.00 C ATOM 0 H ILE A 91 12.378 1.413 6.212 1.00 0.00 H new ATOM 0 HA ILE A 91 14.639 1.776 4.429 1.00 0.00 H new ATOM 0 HB ILE A 91 13.886 -0.430 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.791 -0.279 5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.469 -0.139 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.465 -1.746 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.519 -0.324 5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.199 -0.307 6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.956 -2.391 4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.301 -2.438 3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.627 -2.580 5.370 1.00 0.00 H new ATOM 1468 N THR A 92 13.387 1.912 2.151 1.00 0.00 N ATOM 1469 CA THR A 92 12.746 2.386 0.935 1.00 0.00 C ATOM 1470 C THR A 92 11.436 1.633 0.684 1.00 0.00 C ATOM 1471 O THR A 92 11.344 0.430 0.943 1.00 0.00 O ATOM 1472 CB THR A 92 13.692 2.210 -0.270 1.00 0.00 C ATOM 1473 OG1 THR A 92 15.025 2.591 0.107 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.239 3.056 -1.454 1.00 0.00 C ATOM 0 H THR A 92 14.317 1.518 2.006 1.00 0.00 H new ATOM 0 HA THR A 92 12.520 3.445 1.059 1.00 0.00 H new ATOM 0 HB THR A 92 13.673 1.162 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.626 2.477 -0.658 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.925 2.911 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.235 2.755 -1.753 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.232 4.108 -1.168 1.00 0.00 H new ATOM 1482 N PHE A 93 10.431 2.347 0.178 1.00 0.00 N ATOM 1483 CA PHE A 93 9.103 1.775 -0.042 1.00 0.00 C ATOM 1484 C PHE A 93 9.168 0.608 -1.029 1.00 0.00 C ATOM 1485 O PHE A 93 8.350 -0.314 -0.976 1.00 0.00 O ATOM 1486 CB PHE A 93 8.144 2.861 -0.552 1.00 0.00 C ATOM 1487 CG PHE A 93 6.694 2.470 -0.503 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.013 2.461 0.703 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.013 2.121 -1.659 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.680 2.109 0.758 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.677 1.769 -1.610 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.011 1.763 -0.400 1.00 0.00 C ATOM 0 H PHE A 93 10.512 3.328 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 93 8.729 1.390 0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.286 3.764 0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.408 3.110 -1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.531 2.733 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.531 2.124 -2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.161 2.104 1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.155 1.499 -2.516 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.967 1.488 -0.359 1.00 0.00 H new ATOM 1502 N GLN A 94 10.156 0.646 -1.918 1.00 0.00 N ATOM 1503 CA GLN A 94 10.360 -0.430 -2.877 1.00 0.00 C ATOM 1504 C GLN A 94 10.837 -1.698 -2.169 1.00 0.00 C ATOM 1505 O GLN A 94 10.406 -2.800 -2.498 1.00 0.00 O ATOM 1506 CB GLN A 94 11.369 -0.006 -3.948 1.00 0.00 C ATOM 1507 CG GLN A 94 10.908 1.186 -4.774 1.00 0.00 C ATOM 1508 CD GLN A 94 11.902 1.597 -5.846 1.00 0.00 C ATOM 1509 OE1 GLN A 94 11.512 2.092 -6.902 1.00 0.00 O ATOM 1510 NE2 GLN A 94 13.187 1.409 -5.584 1.00 0.00 N ATOM 0 H GLN A 94 10.827 1.411 -1.993 1.00 0.00 H new ATOM 0 HA GLN A 94 9.407 -0.644 -3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.316 0.239 -3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.557 -0.849 -4.613 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.955 0.945 -5.245 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.730 2.032 -4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.471 0.995 -4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.892 1.678 -6.270 1.00 0.00 H new ATOM 1519 N GLU A 95 11.707 -1.526 -1.180 1.00 0.00 N ATOM 1520 CA GLU A 95 12.237 -2.650 -0.411 1.00 0.00 C ATOM 1521 C GLU A 95 11.152 -3.230 0.487 1.00 0.00 C ATOM 1522 O GLU A 95 11.075 -4.447 0.692 1.00 0.00 O ATOM 1523 CB GLU A 95 13.422 -2.189 0.441 1.00 0.00 C ATOM 1524 CG GLU A 95 14.491 -1.455 -0.351 1.00 0.00 C ATOM 1525 CD GLU A 95 15.102 -2.305 -1.448 1.00 0.00 C ATOM 1526 OE1 GLU A 95 16.027 -3.086 -1.151 1.00 0.00 O ATOM 1527 OE2 GLU A 95 14.665 -2.181 -2.614 1.00 0.00 O ATOM 0 H GLU A 95 12.063 -0.615 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 95 12.573 -3.421 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.057 -1.536 1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.871 -3.057 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.057 -0.558 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.278 -1.127 0.328 1.00 0.00 H new ATOM 1534 N TYR A 96 10.315 -2.345 1.011 1.00 0.00 N ATOM 1535 CA TYR A 96 9.212 -2.736 1.875 1.00 0.00 C ATOM 1536 C TYR A 96 8.260 -3.670 1.133 1.00 0.00 C ATOM 1537 O TYR A 96 7.950 -4.763 1.608 1.00 0.00 O ATOM 1538 CB TYR A 96 8.465 -1.490 2.366 1.00 0.00 C ATOM 1539 CG TYR A 96 7.397 -1.772 3.402 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.741 -2.104 4.707 1.00 0.00 C ATOM 1541 CD2 TYR A 96 6.047 -1.698 3.080 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.770 -2.357 5.657 1.00 0.00 C ATOM 1543 CE2 TYR A 96 5.073 -1.946 4.030 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.440 -2.274 5.315 1.00 0.00 C ATOM 1545 OH TYR A 96 4.475 -2.513 6.265 1.00 0.00 O ATOM 0 H TYR A 96 10.382 -1.340 0.849 1.00 0.00 H new ATOM 0 HA TYR A 96 9.612 -3.269 2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 96 9.187 -0.790 2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.004 -0.997 1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.783 -2.165 4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.754 -1.443 2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.054 -2.619 6.665 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.028 -1.882 3.764 1.00 0.00 H new ATOM 0 HH TYR A 96 3.600 -2.588 5.831 1.00 0.00 H new ATOM 1555 N ARG A 97 7.821 -3.247 -0.047 1.00 0.00 N ATOM 1556 CA ARG A 97 6.886 -4.046 -0.830 1.00 0.00 C ATOM 1557 C ARG A 97 7.560 -5.274 -1.427 1.00 0.00 C ATOM 1558 O ARG A 97 6.900 -6.271 -1.692 1.00 0.00 O ATOM 1559 CB ARG A 97 6.245 -3.222 -1.947 1.00 0.00 C ATOM 1560 CG ARG A 97 5.302 -2.143 -1.450 1.00 0.00 C ATOM 1561 CD ARG A 97 4.338 -1.708 -2.544 1.00 0.00 C ATOM 1562 NE ARG A 97 5.031 -1.169 -3.710 1.00 0.00 N ATOM 1563 CZ ARG A 97 4.717 -1.479 -4.969 1.00 0.00 C ATOM 1564 NH1 ARG A 97 3.805 -2.412 -5.221 1.00 0.00 N ATOM 1565 NH2 ARG A 97 5.332 -0.881 -5.978 1.00 0.00 N ATOM 0 H ARG A 97 8.094 -2.364 -0.479 1.00 0.00 H new ATOM 0 HA ARG A 97 6.106 -4.375 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.033 -2.758 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.698 -3.891 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.740 -2.514 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.878 -1.284 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.728 -2.559 -2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.658 -0.954 -2.147 1.00 0.00 H new ATOM 0 HE ARG A 97 5.800 -0.518 -3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.342 -2.894 -4.450 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.568 -2.646 -6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.050 -0.180 -5.794 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.088 -1.122 -6.939 1.00 0.00 H new ATOM 1579 N ARG A 98 8.868 -5.199 -1.642 1.00 0.00 N ATOM 1580 CA ARG A 98 9.615 -6.332 -2.183 1.00 0.00 C ATOM 1581 C ARG A 98 9.456 -7.546 -1.277 1.00 0.00 C ATOM 1582 O ARG A 98 9.014 -8.608 -1.713 1.00 0.00 O ATOM 1583 CB ARG A 98 11.102 -6.003 -2.316 1.00 0.00 C ATOM 1584 CG ARG A 98 11.892 -7.094 -3.026 1.00 0.00 C ATOM 1585 CD ARG A 98 13.380 -7.018 -2.722 1.00 0.00 C ATOM 1586 NE ARG A 98 13.945 -5.706 -3.016 1.00 0.00 N ATOM 1587 CZ ARG A 98 14.876 -5.490 -3.944 1.00 0.00 C ATOM 1588 NH1 ARG A 98 15.273 -6.469 -4.747 1.00 0.00 N ATOM 1589 NH2 ARG A 98 15.400 -4.283 -4.078 1.00 0.00 N ATOM 0 H ARG A 98 9.432 -4.371 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 98 9.213 -6.550 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.214 -5.067 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.524 -5.844 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.511 -8.070 -2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.738 -7.010 -4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.545 -7.253 -1.671 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.905 -7.775 -3.304 1.00 0.00 H new ATOM 0 HE ARG A 98 13.607 -4.907 -2.480 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.864 -7.399 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.987 -6.291 -5.454 1.00 0.00 H new ATOM 0 HH21 ARG A 98 15.091 -3.523 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.113 -4.112 -4.787 1.00 0.00 H new ATOM 1603 N ASN A 99 9.812 -7.373 -0.008 1.00 0.00 N ATOM 1604 CA ASN A 99 9.723 -8.453 0.969 1.00 0.00 C ATOM 1605 C ASN A 99 8.269 -8.829 1.212 1.00 0.00 C ATOM 1606 O ASN A 99 7.944 -9.996 1.425 1.00 0.00 O ATOM 1607 CB ASN A 99 10.385 -8.051 2.292 1.00 0.00 C ATOM 1608 CG ASN A 99 11.898 -8.009 2.206 1.00 0.00 C ATOM 1609 OD1 ASN A 99 12.571 -9.019 2.413 1.00 0.00 O ATOM 1610 ND2 ASN A 99 12.453 -6.840 1.915 1.00 0.00 N ATOM 0 H ASN A 99 10.166 -6.493 0.369 1.00 0.00 H new ATOM 0 HA ASN A 99 10.252 -9.316 0.565 1.00 0.00 H new ATOM 0 HB2 ASN A 99 10.016 -7.071 2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.090 -8.756 3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.468 -6.758 1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.865 -6.023 1.749 1.00 0.00 H new ATOM 1617 N LEU A 100 7.399 -7.830 1.153 1.00 0.00 N ATOM 1618 CA LEU A 100 5.975 -8.040 1.372 1.00 0.00 C ATOM 1619 C LEU A 100 5.392 -8.930 0.273 1.00 0.00 C ATOM 1620 O LEU A 100 4.554 -9.796 0.534 1.00 0.00 O ATOM 1621 CB LEU A 100 5.250 -6.694 1.408 1.00 0.00 C ATOM 1622 CG LEU A 100 3.860 -6.719 2.037 1.00 0.00 C ATOM 1623 CD1 LEU A 100 3.948 -7.134 3.499 1.00 0.00 C ATOM 1624 CD2 LEU A 100 3.203 -5.356 1.910 1.00 0.00 C ATOM 0 H LEU A 100 7.656 -6.863 0.955 1.00 0.00 H new ATOM 0 HA LEU A 100 5.836 -8.541 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.867 -5.982 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.163 -6.320 0.388 1.00 0.00 H new ATOM 0 HG LEU A 100 3.249 -7.450 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.949 -7.147 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.387 -8.129 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.571 -6.423 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.212 -5.386 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.812 -4.610 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.113 -5.092 0.856 1.00 0.00 H new ATOM 1636 N ALA A 101 5.858 -8.724 -0.956 1.00 0.00 N ATOM 1637 CA ALA A 101 5.435 -9.541 -2.088 1.00 0.00 C ATOM 1638 C ALA A 101 5.945 -10.970 -1.940 1.00 0.00 C ATOM 1639 O ALA A 101 5.293 -11.921 -2.374 1.00 0.00 O ATOM 1640 CB ALA A 101 5.925 -8.935 -3.396 1.00 0.00 C ATOM 0 H ALA A 101 6.531 -7.995 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 101 4.345 -9.565 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.600 -9.558 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.512 -7.932 -3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 101 7.014 -8.880 -3.386 1.00 0.00 H new ATOM 1646 N LYS A 102 7.113 -11.121 -1.315 1.00 0.00 N ATOM 1647 CA LYS A 102 7.671 -12.445 -1.050 1.00 0.00 C ATOM 1648 C LYS A 102 6.819 -13.173 -0.012 1.00 0.00 C ATOM 1649 O LYS A 102 6.800 -14.403 0.046 1.00 0.00 O ATOM 1650 CB LYS A 102 9.113 -12.349 -0.538 1.00 0.00 C ATOM 1651 CG LYS A 102 10.033 -11.463 -1.367 1.00 0.00 C ATOM 1652 CD LYS A 102 10.149 -11.923 -2.813 1.00 0.00 C ATOM 1653 CE LYS A 102 11.140 -11.058 -3.582 1.00 0.00 C ATOM 1654 NZ LYS A 102 11.204 -11.419 -5.022 1.00 0.00 N ATOM 0 H LYS A 102 7.688 -10.346 -0.985 1.00 0.00 H new ATOM 0 HA LYS A 102 7.670 -13.000 -1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.095 -11.972 0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.537 -13.353 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.660 -10.439 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.024 -11.451 -0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.470 -12.964 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.171 -11.877 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.856 -10.010 -3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.130 -11.163 -3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.162 -11.236 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.977 -12.427 -5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.518 -10.846 -5.554 1.00 0.00 H new ATOM 1668 N ALA A 103 6.118 -12.400 0.808 1.00 0.00 N ATOM 1669 CA ALA A 103 5.274 -12.956 1.859 1.00 0.00 C ATOM 1670 C ALA A 103 3.949 -13.452 1.292 1.00 0.00 C ATOM 1671 O ALA A 103 3.233 -14.215 1.943 1.00 0.00 O ATOM 1672 CB ALA A 103 5.031 -11.920 2.947 1.00 0.00 C ATOM 0 H ALA A 103 6.117 -11.381 0.765 1.00 0.00 H new ATOM 0 HA ALA A 103 5.795 -13.808 2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.399 -12.350 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.984 -11.617 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.535 -11.050 2.517 1.00 0.00 H new ATOM 1678 N GLY A 104 3.631 -13.015 0.081 1.00 0.00 N ATOM 1679 CA GLY A 104 2.404 -13.440 -0.564 1.00 0.00 C ATOM 1680 C GLY A 104 1.340 -12.367 -0.552 1.00 0.00 C ATOM 1681 O GLY A 104 0.199 -12.613 -0.938 1.00 0.00 O ATOM 0 H GLY A 104 4.202 -12.372 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.619 -13.722 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.023 -14.330 -0.062 1.00 0.00 H new ATOM 1685 N VAL A 105 1.708 -11.172 -0.109 1.00 0.00 N ATOM 1686 CA VAL A 105 0.770 -10.063 -0.064 1.00 0.00 C ATOM 1687 C VAL A 105 0.562 -9.480 -1.455 1.00 0.00 C ATOM 1688 O VAL A 105 1.447 -8.828 -2.014 1.00 0.00 O ATOM 1689 CB VAL A 105 1.243 -8.956 0.899 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.246 -7.809 0.932 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.454 -9.520 2.295 1.00 0.00 C ATOM 0 H VAL A 105 2.646 -10.948 0.223 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.177 -10.455 0.307 1.00 0.00 H new ATOM 0 HB VAL A 105 2.195 -8.570 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.600 -7.039 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.145 -7.386 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.722 -8.178 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.788 -8.725 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.516 -9.935 2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.209 -10.305 2.260 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.609 -9.735 -2.011 1.00 0.00 N ATOM 1702 CA PHE A 106 -0.937 -9.290 -3.356 1.00 0.00 C ATOM 1703 C PHE A 106 -1.886 -8.097 -3.308 1.00 0.00 C ATOM 1704 O PHE A 106 -1.866 -7.235 -4.186 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.571 -10.446 -4.140 1.00 0.00 C ATOM 1706 CG PHE A 106 -1.817 -10.148 -5.591 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -0.795 -10.271 -6.518 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -3.070 -9.755 -6.030 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -1.017 -10.002 -7.855 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -3.299 -9.484 -7.364 1.00 0.00 C ATOM 1711 CZ PHE A 106 -2.271 -9.608 -8.278 1.00 0.00 C ATOM 0 H PHE A 106 -1.356 -10.253 -1.548 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.022 -8.977 -3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.922 -11.319 -4.065 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.518 -10.712 -3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.187 -10.581 -6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -3.878 -9.659 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.211 -10.100 -8.568 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -4.280 -9.175 -7.692 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.448 -9.397 -9.322 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.703 -8.039 -2.266 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.730 -7.017 -2.175 1.00 0.00 C ATOM 1723 C ARG A 107 -3.506 -6.132 -0.950 1.00 0.00 C ATOM 1724 O ARG A 107 -3.745 -6.548 0.185 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.111 -7.677 -2.124 1.00 0.00 C ATOM 1726 CG ARG A 107 -6.259 -6.743 -2.471 1.00 0.00 C ATOM 1727 CD ARG A 107 -7.592 -7.478 -2.461 1.00 0.00 C ATOM 1728 NE ARG A 107 -8.682 -6.668 -3.012 1.00 0.00 N ATOM 1729 CZ ARG A 107 -9.939 -6.707 -2.566 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -10.259 -7.503 -1.554 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -10.873 -5.955 -3.140 1.00 0.00 N ATOM 0 H ARG A 107 -2.674 -8.685 -1.477 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.675 -6.381 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.124 -8.522 -2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.273 -8.078 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.290 -5.920 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.090 -6.305 -3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.500 -8.399 -3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.838 -7.765 -1.439 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.467 -6.036 -3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.544 -8.085 -1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.220 -7.533 -1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.629 -5.347 -3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.834 -5.986 -2.798 1.00 0.00 H new ATOM 1745 N TRP A 108 -3.030 -4.921 -1.195 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.782 -3.944 -0.141 1.00 0.00 C ATOM 1747 C TRP A 108 -4.016 -3.061 0.039 1.00 0.00 C ATOM 1748 O TRP A 108 -4.295 -2.200 -0.790 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.555 -3.099 -0.529 1.00 0.00 C ATOM 1750 CG TRP A 108 -1.131 -2.067 0.482 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.917 -1.143 1.105 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.203 -1.828 0.946 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -1.161 -0.365 1.943 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.142 -0.763 1.864 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.441 -2.419 0.685 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.269 -0.272 2.514 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.560 -1.930 1.331 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.466 -0.867 2.238 1.00 0.00 C ATOM 0 H TRP A 108 -2.804 -4.585 -2.131 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.583 -4.448 0.805 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.716 -3.771 -0.710 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.767 -2.593 -1.471 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.982 -1.039 0.959 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.515 0.390 2.531 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.522 -3.243 -0.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.200 0.550 3.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.524 -2.375 1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.359 -0.511 2.729 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.766 -3.280 1.107 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.961 -2.486 1.368 1.00 0.00 C ATOM 1771 C VAL A 109 -5.764 -1.616 2.603 1.00 0.00 C ATOM 1772 O VAL A 109 -5.605 -2.123 3.705 1.00 0.00 O ATOM 1773 CB VAL A 109 -7.206 -3.378 1.568 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.447 -2.530 1.808 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.408 -4.297 0.369 1.00 0.00 C ATOM 0 H VAL A 109 -4.572 -3.997 1.806 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.125 -1.854 0.495 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.041 -3.996 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.311 -3.180 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.305 -1.921 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.615 -1.880 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.290 -4.917 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.546 -3.697 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.533 -4.936 0.249 1.00 0.00 H new ATOM 1785 N THR A 110 -5.751 -0.308 2.427 1.00 0.00 N ATOM 1786 CA THR A 110 -5.609 0.589 3.560 1.00 0.00 C ATOM 1787 C THR A 110 -6.833 1.481 3.711 1.00 0.00 C ATOM 1788 O THR A 110 -7.095 2.351 2.876 1.00 0.00 O ATOM 1789 CB THR A 110 -4.343 1.457 3.445 1.00 0.00 C ATOM 1790 OG1 THR A 110 -3.191 0.613 3.397 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.221 2.417 4.622 1.00 0.00 C ATOM 0 H THR A 110 -5.836 0.154 1.521 1.00 0.00 H new ATOM 0 HA THR A 110 -5.516 -0.036 4.448 1.00 0.00 H new ATOM 0 HB THR A 110 -4.415 2.046 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.187 0.113 2.554 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.317 3.016 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.090 3.074 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.168 1.849 5.551 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.584 1.242 4.774 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.735 2.063 5.108 1.00 0.00 C ATOM 1801 C ASN A 111 -8.296 3.233 5.971 1.00 0.00 C ATOM 1802 O ASN A 111 -8.022 3.066 7.158 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.794 1.242 5.844 1.00 0.00 C ATOM 1804 CG ASN A 111 -10.649 0.404 4.916 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -10.260 -0.687 4.509 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -11.842 0.888 4.604 1.00 0.00 N ATOM 0 H ASN A 111 -7.413 0.477 5.427 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.174 2.437 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.302 0.588 6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.437 1.915 6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.471 0.350 4.007 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.132 1.799 4.960 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.218 4.409 5.368 1.00 0.00 N ATOM 1814 CA ILE A 112 -7.787 5.607 6.079 1.00 0.00 C ATOM 1815 C ILE A 112 -8.793 5.968 7.164 1.00 0.00 C ATOM 1816 O ILE A 112 -8.418 6.366 8.266 1.00 0.00 O ATOM 1817 CB ILE A 112 -7.603 6.800 5.111 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.543 6.470 4.055 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -7.228 8.070 5.871 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.189 6.126 4.636 1.00 0.00 C ATOM 0 H ILE A 112 -8.448 4.562 4.386 1.00 0.00 H new ATOM 0 HA ILE A 112 -6.823 5.392 6.540 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.553 6.979 4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.893 5.632 3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.434 7.322 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.105 8.893 5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.018 8.316 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.293 7.910 6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.492 5.904 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.816 6.971 5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.282 5.255 5.284 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.071 5.789 6.849 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.147 6.077 7.790 1.00 0.00 C ATOM 1834 C HIS A 113 -11.061 5.164 9.013 1.00 0.00 C ATOM 1835 O HIS A 113 -11.472 5.541 10.110 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.505 5.903 7.099 1.00 0.00 C ATOM 1837 CG HIS A 113 -13.683 6.287 7.947 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -14.428 5.374 8.662 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.252 7.492 8.180 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -15.402 5.998 9.292 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -15.316 7.283 9.018 1.00 0.00 N ATOM 0 H HIS A 113 -10.388 5.444 5.943 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.043 7.109 8.126 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.516 6.503 6.189 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.614 4.862 6.796 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -14.252 4.370 8.698 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -13.928 8.442 7.780 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.144 5.535 9.925 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.523 3.963 8.823 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.432 2.996 9.909 1.00 0.00 C ATOM 1852 C GLU A 114 -9.062 3.055 10.582 1.00 0.00 C ATOM 1853 O GLU A 114 -8.886 2.518 11.675 1.00 0.00 O ATOM 1854 CB GLU A 114 -10.677 1.572 9.399 1.00 0.00 C ATOM 1855 CG GLU A 114 -11.933 1.412 8.555 1.00 0.00 C ATOM 1856 CD GLU A 114 -13.176 1.958 9.221 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -13.517 1.500 10.328 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -13.815 2.856 8.632 1.00 0.00 O ATOM 0 H GLU A 114 -10.146 3.639 7.933 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.201 3.255 10.636 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.816 1.257 8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.741 0.899 10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.788 1.919 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.082 0.355 8.335 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.104 3.706 9.916 1.00 0.00 N ATOM 1866 CA GLN A 115 -6.725 3.787 10.402 1.00 0.00 C ATOM 1867 C GLN A 115 -6.094 2.397 10.470 1.00 0.00 C ATOM 1868 O GLN A 115 -5.301 2.102 11.367 1.00 0.00 O ATOM 1869 CB GLN A 115 -6.672 4.459 11.779 1.00 0.00 C ATOM 1870 CG GLN A 115 -6.997 5.945 11.758 1.00 0.00 C ATOM 1871 CD GLN A 115 -5.950 6.766 11.032 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -4.973 7.211 11.631 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -6.157 6.992 9.744 1.00 0.00 N ATOM 0 H GLN A 115 -8.261 4.188 9.031 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.156 4.394 9.698 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.372 3.954 12.445 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.676 4.322 12.200 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -7.965 6.094 11.279 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.089 6.306 12.782 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -6.981 6.604 9.284 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -5.493 7.554 9.212 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.416 1.559 9.493 1.00 0.00 N ATOM 1883 CA LYS A 116 -5.958 0.173 9.490 1.00 0.00 C ATOM 1884 C LYS A 116 -5.517 -0.269 8.093 1.00 0.00 C ATOM 1885 O LYS A 116 -6.184 0.028 7.099 1.00 0.00 O ATOM 1886 CB LYS A 116 -7.077 -0.745 9.995 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.476 -0.489 11.442 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.751 -1.226 11.824 1.00 0.00 C ATOM 1889 CE LYS A 116 -8.612 -2.728 11.653 1.00 0.00 C ATOM 1890 NZ LYS A 116 -9.845 -3.449 12.062 1.00 0.00 N ATOM 0 H LYS A 116 -6.993 1.814 8.691 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.096 0.102 10.153 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.953 -0.619 9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.757 -1.782 9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.666 -0.801 12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.617 0.581 11.595 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.003 -1.001 12.860 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -9.576 -0.866 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.387 -2.955 10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.770 -3.084 12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -9.709 -4.472 11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.046 -3.253 13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.644 -3.128 11.479 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.391 -0.974 8.030 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.909 -1.554 6.783 1.00 0.00 C ATOM 1906 C ARG A 117 -4.151 -3.058 6.786 1.00 0.00 C ATOM 1907 O ARG A 117 -3.759 -3.759 7.720 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.415 -1.274 6.572 1.00 0.00 C ATOM 1909 CG ARG A 117 -2.074 0.204 6.493 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.663 0.441 5.968 1.00 0.00 C ATOM 1911 NE ARG A 117 0.377 -0.114 6.841 1.00 0.00 N ATOM 1912 CZ ARG A 117 1.475 0.548 7.211 1.00 0.00 C ATOM 1913 NH1 ARG A 117 1.650 1.817 6.857 1.00 0.00 N ATOM 1914 NH2 ARG A 117 2.396 -0.054 7.952 1.00 0.00 N ATOM 0 H ARG A 117 -3.792 -1.158 8.835 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.459 -1.091 5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.851 -1.724 7.389 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.089 -1.762 5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.791 0.706 5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.172 0.651 7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.571 -0.003 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.499 1.513 5.854 1.00 0.00 H new ATOM 0 HE ARG A 117 0.253 -1.066 7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 117 0.942 2.293 6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.492 2.315 7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.265 -1.024 8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.235 0.453 8.234 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.808 -3.542 5.750 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.121 -4.954 5.624 1.00 0.00 C ATOM 1930 C TYR A 118 -4.262 -5.585 4.535 1.00 0.00 C ATOM 1931 O TYR A 118 -4.232 -5.104 3.399 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.601 -5.143 5.281 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.553 -4.409 6.197 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -8.029 -5.002 7.360 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -7.984 -3.126 5.892 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.906 -4.332 8.192 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -8.861 -2.453 6.718 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.319 -3.059 7.863 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.199 -2.388 8.682 1.00 0.00 O ATOM 0 H TYR A 118 -5.140 -2.970 4.973 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.911 -5.441 6.577 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.770 -4.808 4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.835 -6.207 5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.709 -6.001 7.618 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.627 -2.646 4.993 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.266 -4.803 9.095 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.186 -1.454 6.466 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.386 -1.503 8.306 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.567 -6.654 4.884 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.702 -7.342 3.938 1.00 0.00 C ATOM 1951 C TYR A 119 -3.346 -8.641 3.477 1.00 0.00 C ATOM 1952 O TYR A 119 -3.462 -9.596 4.248 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.336 -7.615 4.572 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.621 -6.354 5.007 1.00 0.00 C ATOM 1955 CD1 TYR A 119 0.210 -5.670 4.132 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.789 -5.840 6.286 1.00 0.00 C ATOM 1957 CE1 TYR A 119 0.859 -4.512 4.521 1.00 0.00 C ATOM 1958 CE2 TYR A 119 -0.147 -4.682 6.680 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.675 -4.022 5.794 1.00 0.00 C ATOM 1960 OH TYR A 119 1.317 -2.869 6.182 1.00 0.00 O ATOM 0 H TYR A 119 -3.584 -7.066 5.817 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.559 -6.702 3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.467 -8.268 5.435 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.711 -8.152 3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.353 -6.048 3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.432 -6.354 6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.507 -3.995 3.829 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -0.289 -4.296 7.679 1.00 0.00 H new ATOM 0 HH TYR A 119 1.603 -2.952 7.116 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.780 -8.666 2.223 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.441 -9.836 1.663 1.00 0.00 C ATOM 1972 C TYR A 120 -3.497 -10.619 0.759 1.00 0.00 C ATOM 1973 O TYR A 120 -2.733 -10.036 -0.017 1.00 0.00 O ATOM 1974 CB TYR A 120 -5.679 -9.435 0.856 1.00 0.00 C ATOM 1975 CG TYR A 120 -6.812 -8.858 1.672 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -6.815 -7.524 2.054 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.892 -9.649 2.045 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -7.860 -6.994 2.786 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.939 -9.127 2.781 1.00 0.00 C ATOM 1980 CZ TYR A 120 -8.918 -7.799 3.148 1.00 0.00 C ATOM 1981 OH TYR A 120 -9.961 -7.267 3.869 1.00 0.00 O ATOM 0 H TYR A 120 -3.685 -7.886 1.573 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.743 -10.464 2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.383 -8.703 0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.045 -10.311 0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -5.987 -6.890 1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -7.914 -10.689 1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -7.848 -5.953 3.073 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -9.769 -9.756 3.067 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.627 -7.964 4.043 1.00 0.00 H new ATOM 1991 N THR A 121 -3.563 -11.937 0.858 1.00 0.00 N ATOM 1992 CA THR A 121 -2.816 -12.816 -0.028 1.00 0.00 C ATOM 1993 C THR A 121 -3.552 -12.949 -1.363 1.00 0.00 C ATOM 1994 O THR A 121 -4.666 -12.439 -1.514 1.00 0.00 O ATOM 1995 CB THR A 121 -2.611 -14.209 0.628 1.00 0.00 C ATOM 1996 OG1 THR A 121 -1.957 -15.121 -0.270 1.00 0.00 O ATOM 1997 CG2 THR A 121 -3.936 -14.800 1.080 1.00 0.00 C ATOM 0 H THR A 121 -4.132 -12.425 1.550 1.00 0.00 H new ATOM 0 HA THR A 121 -1.832 -12.383 -0.209 1.00 0.00 H new ATOM 0 HB THR A 121 -1.973 -14.062 1.499 1.00 0.00 H new ATOM 0 HG1 THR A 121 -2.582 -15.831 -0.527 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.763 -15.775 1.536 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.401 -14.136 1.809 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.596 -14.913 0.220 1.00 0.00 H new ATOM 2005 N PHE A 122 -2.936 -13.630 -2.323 1.00 0.00 N ATOM 2006 CA PHE A 122 -3.541 -13.842 -3.637 1.00 0.00 C ATOM 2007 C PHE A 122 -4.815 -14.683 -3.513 1.00 0.00 C ATOM 2008 O PHE A 122 -5.658 -14.709 -4.409 1.00 0.00 O ATOM 2009 CB PHE A 122 -2.536 -14.520 -4.573 1.00 0.00 C ATOM 2010 CG PHE A 122 -3.032 -14.692 -5.982 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -3.156 -13.600 -6.825 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -3.380 -15.945 -6.459 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -3.616 -13.755 -8.119 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -3.840 -16.107 -7.752 1.00 0.00 C ATOM 2015 CZ PHE A 122 -3.958 -15.010 -8.581 1.00 0.00 C ATOM 0 H PHE A 122 -2.012 -14.048 -2.216 1.00 0.00 H new ATOM 0 HA PHE A 122 -3.813 -12.874 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -1.618 -13.932 -4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -2.280 -15.499 -4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.890 -12.616 -6.467 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -3.291 -16.806 -5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -3.708 -12.896 -8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -4.106 -17.089 -8.113 1.00 0.00 H new ATOM 0 HZ PHE A 122 -4.318 -15.133 -9.592 1.00 0.00 H new ATOM 2025 N ASP A 123 -4.950 -15.358 -2.378 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.138 -16.149 -2.070 1.00 0.00 C ATOM 2027 C ASP A 123 -7.327 -15.243 -1.766 1.00 0.00 C ATOM 2028 O ASP A 123 -8.454 -15.718 -1.632 1.00 0.00 O ATOM 2029 CB ASP A 123 -5.888 -17.038 -0.850 1.00 0.00 C ATOM 2030 CG ASP A 123 -4.631 -17.872 -0.967 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -3.527 -17.311 -0.808 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -4.740 -19.091 -1.209 1.00 0.00 O ATOM 0 H ASP A 123 -4.241 -15.373 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.357 -16.765 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.819 -16.412 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -6.743 -17.699 -0.709 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.052 -13.938 -1.648 1.00 0.00 N ATOM 2038 CA ASN A 124 -8.052 -12.947 -1.238 1.00 0.00 C ATOM 2039 C ASN A 124 -8.435 -13.151 0.220 1.00 0.00 C ATOM 2040 O ASN A 124 -9.516 -12.764 0.658 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.295 -12.983 -2.132 1.00 0.00 C ATOM 2042 CG ASN A 124 -9.117 -12.185 -3.409 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -9.400 -10.985 -3.448 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -8.652 -12.837 -4.464 1.00 0.00 N ATOM 0 H ASN A 124 -6.131 -13.541 -1.834 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.601 -11.961 -1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -9.527 -14.018 -2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -10.148 -12.590 -1.578 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -8.517 -12.346 -5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -8.429 -13.830 -4.393 1.00 0.00 H new ATOM 2051 N SER A 125 -7.521 -13.745 0.969 1.00 0.00 N ATOM 2052 CA SER A 125 -7.718 -13.967 2.386 1.00 0.00 C ATOM 2053 C SER A 125 -6.890 -12.960 3.178 1.00 0.00 C ATOM 2054 O SER A 125 -5.756 -12.645 2.798 1.00 0.00 O ATOM 2055 CB SER A 125 -7.315 -15.401 2.750 1.00 0.00 C ATOM 2056 OG SER A 125 -7.625 -15.705 4.100 1.00 0.00 O ATOM 0 H SER A 125 -6.628 -14.084 0.612 1.00 0.00 H new ATOM 0 HA SER A 125 -8.771 -13.831 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.829 -16.102 2.092 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.246 -15.532 2.583 1.00 0.00 H new ATOM 0 HG SER A 125 -7.357 -16.627 4.298 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.466 -12.436 4.253 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.784 -11.465 5.095 1.00 0.00 C ATOM 2064 C LEU A 126 -5.695 -12.141 5.919 1.00 0.00 C ATOM 2065 O LEU A 126 -5.978 -12.964 6.790 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.788 -10.763 6.014 1.00 0.00 C ATOM 2067 CG LEU A 126 -7.194 -9.719 6.959 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.501 -8.616 6.179 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -8.283 -9.141 7.847 1.00 0.00 C ATOM 0 H LEU A 126 -8.409 -12.670 4.562 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.316 -10.719 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.544 -10.280 5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.299 -11.519 6.610 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.449 -10.206 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.086 -7.885 6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.697 -9.044 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.221 -8.126 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.850 -8.398 8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -9.046 -8.670 7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.735 -9.940 8.435 1.00 0.00 H new ATOM 2081 N LEU A 127 -4.450 -11.797 5.631 1.00 0.00 N ATOM 2082 CA LEU A 127 -3.322 -12.368 6.345 1.00 0.00 C ATOM 2083 C LEU A 127 -3.035 -11.583 7.614 1.00 0.00 C ATOM 2084 O LEU A 127 -3.163 -12.103 8.719 1.00 0.00 O ATOM 2085 CB LEU A 127 -2.070 -12.391 5.461 1.00 0.00 C ATOM 2086 CG LEU A 127 -2.141 -13.296 4.229 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.840 -13.216 3.446 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -2.431 -14.734 4.639 1.00 0.00 C ATOM 0 H LEU A 127 -4.196 -11.125 4.907 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.584 -13.392 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.864 -11.373 5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.223 -12.705 6.071 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.954 -12.953 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.901 -13.864 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.671 -12.188 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.014 -13.539 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.478 -15.363 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.638 -15.092 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.385 -14.777 5.165 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.663 -10.327 7.448 1.00 0.00 N ATOM 2101 CA PHE A 128 -2.232 -9.510 8.570 1.00 0.00 C ATOM 2102 C PHE A 128 -3.064 -8.237 8.639 1.00 0.00 C ATOM 2103 O PHE A 128 -3.389 -7.643 7.610 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.744 -9.173 8.421 1.00 0.00 C ATOM 2105 CG PHE A 128 -0.101 -8.662 9.678 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.355 -9.546 10.642 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.063 -7.302 9.888 1.00 0.00 C ATOM 2108 CE1 PHE A 128 0.962 -9.084 11.793 1.00 0.00 C ATOM 2109 CE2 PHE A 128 0.667 -6.834 11.040 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.117 -7.726 11.993 1.00 0.00 C ATOM 0 H PHE A 128 -2.650 -9.849 6.547 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.376 -10.066 9.497 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -0.212 -10.065 8.091 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.629 -8.425 7.637 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.234 -10.609 10.492 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -0.285 -6.601 9.144 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.315 -9.784 12.536 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.787 -5.772 11.194 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.590 -7.363 12.894 1.00 0.00 H new ATOM 2120 N THR A 129 -3.427 -7.836 9.847 1.00 0.00 N ATOM 2121 CA THR A 129 -4.171 -6.608 10.048 1.00 0.00 C ATOM 2122 C THR A 129 -3.360 -5.632 10.893 1.00 0.00 C ATOM 2123 O THR A 129 -3.219 -5.808 12.107 1.00 0.00 O ATOM 2124 CB THR A 129 -5.523 -6.894 10.724 1.00 0.00 C ATOM 2125 OG1 THR A 129 -6.198 -7.940 10.013 1.00 0.00 O ATOM 2126 CG2 THR A 129 -6.393 -5.648 10.746 1.00 0.00 C ATOM 0 H THR A 129 -3.216 -8.347 10.704 1.00 0.00 H new ATOM 0 HA THR A 129 -4.361 -6.160 9.073 1.00 0.00 H new ATOM 0 HB THR A 129 -5.339 -7.203 11.753 1.00 0.00 H new ATOM 0 HG1 THR A 129 -7.021 -8.180 10.488 1.00 0.00 H new ATOM 0 HG21 THR A 129 -7.343 -5.876 11.229 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.885 -4.859 11.300 1.00 0.00 H new ATOM 0 HG23 THR A 129 -6.576 -5.314 9.725 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.815 -4.616 10.250 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.942 -3.673 10.923 1.00 0.00 C ATOM 2136 C GLU A 130 -2.582 -2.296 11.011 1.00 0.00 C ATOM 2137 O GLU A 130 -2.770 -1.624 10.000 1.00 0.00 O ATOM 2138 CB GLU A 130 -0.608 -3.576 10.193 1.00 0.00 C ATOM 2139 CG GLU A 130 0.322 -2.529 10.773 1.00 0.00 C ATOM 2140 CD GLU A 130 1.595 -2.374 9.980 1.00 0.00 C ATOM 2141 OE1 GLU A 130 1.534 -2.426 8.735 1.00 0.00 O ATOM 2142 OE2 GLU A 130 2.658 -2.185 10.601 1.00 0.00 O ATOM 0 H GLU A 130 -2.962 -4.423 9.259 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.774 -4.038 11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.114 -4.547 10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.793 -3.346 9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.196 -1.571 10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.570 -2.798 11.800 1.00 0.00 H new ATOM 2149 N SER A 131 -2.923 -1.879 12.216 1.00 0.00 N ATOM 2150 CA SER A 131 -3.451 -0.545 12.432 1.00 0.00 C ATOM 2151 C SER A 131 -2.325 0.486 12.337 1.00 0.00 C ATOM 2152 O SER A 131 -1.228 0.264 12.851 1.00 0.00 O ATOM 2153 CB SER A 131 -4.128 -0.470 13.801 1.00 0.00 C ATOM 2154 OG SER A 131 -5.065 -1.521 13.963 1.00 0.00 O ATOM 0 H SER A 131 -2.844 -2.445 13.061 1.00 0.00 H new ATOM 0 HA SER A 131 -4.190 -0.324 11.662 1.00 0.00 H new ATOM 0 HB2 SER A 131 -3.375 -0.526 14.587 1.00 0.00 H new ATOM 0 HB3 SER A 131 -4.631 0.491 13.909 1.00 0.00 H new ATOM 0 HG SER A 131 -5.484 -1.453 14.847 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.592 1.609 11.679 1.00 0.00 N ATOM 2161 CA ILE A 132 -1.581 2.650 11.521 1.00 0.00 C ATOM 2162 C ILE A 132 -1.621 3.622 12.692 1.00 0.00 C ATOM 2163 O ILE A 132 -0.923 4.634 12.702 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.731 3.427 10.194 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -3.142 4.005 10.057 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -1.403 2.521 9.020 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -3.345 4.834 8.805 1.00 0.00 C ATOM 0 H ILE A 132 -3.492 1.822 11.249 1.00 0.00 H new ATOM 0 HA ILE A 132 -0.616 2.144 11.499 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.028 4.260 10.198 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.862 3.186 10.060 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -3.358 4.622 10.929 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -1.512 3.078 8.089 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -0.377 2.164 9.112 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -2.084 1.670 9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -4.368 5.209 8.779 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.651 5.674 8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -3.162 4.216 7.926 1.00 0.00 H new ATOM 2179 N GLN A 133 -2.444 3.302 13.681 1.00 0.00 N ATOM 2180 CA GLN A 133 -2.486 4.069 14.913 1.00 0.00 C ATOM 2181 C GLN A 133 -1.311 3.648 15.793 1.00 0.00 C ATOM 2182 O GLN A 133 -1.478 2.930 16.779 1.00 0.00 O ATOM 2183 CB GLN A 133 -3.814 3.838 15.646 1.00 0.00 C ATOM 2184 CG GLN A 133 -4.357 5.055 16.388 1.00 0.00 C ATOM 2185 CD GLN A 133 -3.343 5.712 17.309 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -3.203 5.333 18.471 1.00 0.00 O ATOM 2187 NE2 GLN A 133 -2.651 6.721 16.801 1.00 0.00 N ATOM 0 H GLN A 133 -3.092 2.515 13.652 1.00 0.00 H new ATOM 0 HA GLN A 133 -2.411 5.132 14.684 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -4.560 3.509 14.922 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -3.682 3.025 16.359 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -4.702 5.789 15.660 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -5.226 4.754 16.974 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -2.798 7.003 15.832 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -1.971 7.215 17.379 1.00 0.00 H new TER 2196 GLN A 133