USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 997 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 10 ASN : amide:sc= 0 K(o=0.18,f=-0.46) USER MOD Set 1.2: A 131 HIS : no HE2:sc= 0.182 K(o=0.18,f=-3.1) USER MOD Set 2.1: A 17 MET CE :methyl -176:sc= -0.82 (180deg=-0.8) USER MOD Set 2.2: A 113 HIS : no HD1:sc= -0.069 K(o=-0.89,f=-1.9) USER MOD Set 3.1: A 15 LYS NZ :NH3+ -136:sc= 1.03 (180deg=0) USER MOD Set 3.2: A 105 THR OG1 : rot -20:sc= 1 USER MOD Set 4.1: A 25 THR OG1 : rot -160:sc= -0.208 USER MOD Set 4.2: A 98 MET CE :methyl -113:sc= -0.36 (180deg=-0.938) USER MOD Set 5.1: A 37 TYR OH : rot -106:sc= 0.95 USER MOD Set 5.2: A 49 HIS : no HD1:sc= 0 X(o=0.61,f=0.57) USER MOD Set 5.3: A 77 HIS : no HD1:sc= -0.107 X(o=0.61,f=0.57) USER MOD Set 5.4: A 78 MET CE :methyl 159:sc= -0.125 (180deg=-0.643) USER MOD Set 5.5: A 81 MET CE :methyl 172:sc= -0.106 (180deg=-0.235) USER MOD Set 6.1: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 66 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.12) USER MOD Set 7.1: A 40 THR OG1 : rot 180:sc= 0.00679 USER MOD Set 7.2: A 41 ASN : amide:sc= -1.92! C(o=-1.9!,f=-2.9!) USER MOD Set 8.1: A 12 SER OG : rot 126:sc= -0.609! USER MOD Set 8.2: A 18 LYS NZ :NH3+ 157:sc= -0.965 (180deg=-2.88!) USER MOD Set 9.1: A 1 MET N :NH3+ -105:sc= 1.61 (180deg=-0.615) USER MOD Set 9.2: A 97 TYR OH : rot 10:sc= 0.921 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0748 (180deg=-0.403) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.306 K(o=-0.31,f=-5.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.867 K(o=-0.87,f=-1.5) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0843 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.0601 USER MOD Single : A 36 SER OG : rot -117:sc= 0.187 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0799 K(o=-0.08,f=-3.4!) USER MOD Single : A 48 HIS : no HD1:sc= -0.0861 X(o=-0.086,f=-0.00063) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= -0.084 (180deg=-0.116) USER MOD Single : A 54 GLN : amide:sc= 0.153 X(o=0.15,f=-0.27) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= -0.183 (180deg=-0.198) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 76 SER OG : rot 180:sc= -0.228 USER MOD Single : A 79 LYS NZ :NH3+ 171:sc=-0.00728 (180deg=-0.106) USER MOD Single : A 82 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00187) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0732) USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00183 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0726 USER MOD Single : A 104 THR OG1 : rot -74:sc= 0.468 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.237 K(o=-0.24,f=-3.2!) USER MOD Single : A 114 LYS NZ :NH3+ -112:sc= 1.13 (180deg=-1.16) USER MOD Single : A 117 THR OG1 : rot -64:sc= 0.153 USER MOD Single : A 122 SER OG : rot 26:sc= 0.289 USER MOD Single : A 124 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0148) USER MOD Single : A 127 HIS : no HE2:sc= 0.131 K(o=0.13,f=-0.92) USER MOD Single : A 128 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.2) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 132 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.470 16.159 -2.050 1.00 3.21 N ATOM 2 CA MET A 1 -3.923 16.408 -3.454 1.00 50.20 C ATOM 3 C MET A 1 -5.283 15.727 -3.751 1.00 72.04 C ATOM 4 O MET A 1 -5.858 15.061 -2.887 1.00 1.23 O ATOM 5 CB MET A 1 -2.830 15.953 -4.468 1.00 72.23 C ATOM 6 CG MET A 1 -2.374 14.493 -4.323 1.00 30.34 C ATOM 7 SD MET A 1 -1.419 14.181 -2.818 1.00 30.44 S ATOM 8 CE MET A 1 0.057 15.171 -3.079 1.00 21.42 C ATOM 0 H1 MET A 1 -3.609 17.019 -1.483 1.00 3.21 H new ATOM 0 H2 MET A 1 -4.024 15.380 -1.640 1.00 3.21 H new ATOM 0 H3 MET A 1 -2.462 15.904 -2.051 1.00 3.21 H new ATOM 0 HA MET A 1 -4.074 17.481 -3.569 1.00 50.20 H new ATOM 0 HB2 MET A 1 -3.210 16.100 -5.479 1.00 72.23 H new ATOM 0 HB3 MET A 1 -1.961 16.602 -4.357 1.00 72.23 H new ATOM 0 HG2 MET A 1 -3.250 13.845 -4.329 1.00 30.34 H new ATOM 0 HG3 MET A 1 -1.771 14.221 -5.189 1.00 30.34 H new ATOM 0 HE1 MET A 1 0.841 14.843 -2.396 1.00 21.42 H new ATOM 0 HE2 MET A 1 0.398 15.051 -4.107 1.00 21.42 H new ATOM 0 HE3 MET A 1 -0.171 16.220 -2.893 1.00 21.42 H new ATOM 20 N LYS A 2 -5.813 15.937 -4.974 1.00 40.13 N ATOM 21 CA LYS A 2 -7.087 15.315 -5.441 1.00 24.33 C ATOM 22 C LYS A 2 -6.891 14.441 -6.704 1.00 23.33 C ATOM 23 O LYS A 2 -5.799 14.379 -7.279 1.00 30.10 O ATOM 24 CB LYS A 2 -8.165 16.415 -5.692 1.00 34.34 C ATOM 25 CG LYS A 2 -8.784 17.012 -4.403 1.00 53.24 C ATOM 26 CD LYS A 2 -9.539 15.951 -3.559 1.00 5.42 C ATOM 27 CE LYS A 2 -10.206 16.547 -2.307 1.00 52.34 C ATOM 28 NZ LYS A 2 -10.947 15.522 -1.526 1.00 42.30 N ATOM 0 H LYS A 2 -5.377 16.541 -5.671 1.00 40.13 H new ATOM 0 HA LYS A 2 -7.432 14.650 -4.649 1.00 24.33 H new ATOM 0 HB2 LYS A 2 -7.715 17.221 -6.271 1.00 34.34 H new ATOM 0 HB3 LYS A 2 -8.963 15.991 -6.301 1.00 34.34 H new ATOM 0 HG2 LYS A 2 -7.995 17.458 -3.798 1.00 53.24 H new ATOM 0 HG3 LYS A 2 -9.472 17.814 -4.672 1.00 53.24 H new ATOM 0 HD2 LYS A 2 -10.300 15.475 -4.178 1.00 5.42 H new ATOM 0 HD3 LYS A 2 -8.841 15.171 -3.256 1.00 5.42 H new ATOM 0 HE2 LYS A 2 -9.445 17.004 -1.674 1.00 52.34 H new ATOM 0 HE3 LYS A 2 -10.891 17.340 -2.605 1.00 52.34 H new ATOM 0 HZ1 LYS A 2 -11.380 15.967 -0.692 1.00 42.30 H new ATOM 0 HZ2 LYS A 2 -11.691 15.103 -2.120 1.00 42.30 H new ATOM 0 HZ3 LYS A 2 -10.289 14.777 -1.219 1.00 42.30 H new ATOM 42 N VAL A 3 -7.982 13.755 -7.108 1.00 41.02 N ATOM 43 CA VAL A 3 -8.009 12.876 -8.299 1.00 13.24 C ATOM 44 C VAL A 3 -7.866 13.689 -9.618 1.00 22.44 C ATOM 45 O VAL A 3 -8.496 14.734 -9.787 1.00 13.24 O ATOM 46 CB VAL A 3 -9.327 12.006 -8.332 1.00 13.54 C ATOM 47 CG1 VAL A 3 -9.322 10.990 -9.503 1.00 1.41 C ATOM 48 CG2 VAL A 3 -9.549 11.281 -6.979 1.00 61.15 C ATOM 0 H VAL A 3 -8.874 13.795 -6.615 1.00 41.02 H new ATOM 0 HA VAL A 3 -7.152 12.207 -8.223 1.00 13.24 H new ATOM 0 HB VAL A 3 -10.159 12.691 -8.497 1.00 13.54 H new ATOM 0 HG11 VAL A 3 -10.247 10.413 -9.488 1.00 1.41 H new ATOM 0 HG12 VAL A 3 -9.244 11.526 -10.449 1.00 1.41 H new ATOM 0 HG13 VAL A 3 -8.472 10.316 -9.396 1.00 1.41 H new ATOM 0 HG21 VAL A 3 -10.463 10.689 -7.029 1.00 61.15 H new ATOM 0 HG22 VAL A 3 -8.703 10.625 -6.775 1.00 61.15 H new ATOM 0 HG23 VAL A 3 -9.637 12.018 -6.181 1.00 61.15 H new ATOM 58 N GLY A 4 -7.028 13.178 -10.531 1.00 45.11 N ATOM 59 CA GLY A 4 -6.706 13.854 -11.799 1.00 21.21 C ATOM 60 C GLY A 4 -5.458 14.748 -11.723 1.00 64.20 C ATOM 61 O GLY A 4 -4.971 15.227 -12.754 1.00 43.22 O ATOM 0 H GLY A 4 -6.553 12.283 -10.412 1.00 45.11 H new ATOM 0 HA2 GLY A 4 -6.557 13.102 -12.574 1.00 21.21 H new ATOM 0 HA3 GLY A 4 -7.559 14.461 -12.104 1.00 21.21 H new ATOM 65 N SER A 5 -4.937 14.971 -10.496 1.00 74.04 N ATOM 66 CA SER A 5 -3.731 15.803 -10.266 1.00 22.23 C ATOM 67 C SER A 5 -2.427 14.992 -10.474 1.00 52.12 C ATOM 68 O SER A 5 -2.341 13.832 -10.071 1.00 22.20 O ATOM 69 CB SER A 5 -3.750 16.400 -8.841 1.00 31.22 C ATOM 70 OG SER A 5 -2.615 17.221 -8.607 1.00 23.42 O ATOM 0 H SER A 5 -5.336 14.583 -9.641 1.00 74.04 H new ATOM 0 HA SER A 5 -3.750 16.610 -10.998 1.00 22.23 H new ATOM 0 HB2 SER A 5 -4.659 16.985 -8.702 1.00 31.22 H new ATOM 0 HB3 SER A 5 -3.775 15.594 -8.108 1.00 31.22 H new ATOM 0 HG SER A 5 -2.657 17.585 -7.698 1.00 23.42 H new ATOM 76 N GLN A 6 -1.403 15.646 -11.061 1.00 10.22 N ATOM 77 CA GLN A 6 -0.104 15.014 -11.384 1.00 32.33 C ATOM 78 C GLN A 6 0.881 15.172 -10.198 1.00 45.35 C ATOM 79 O GLN A 6 1.183 16.293 -9.767 1.00 40.35 O ATOM 80 CB GLN A 6 0.510 15.609 -12.696 1.00 0.14 C ATOM 81 CG GLN A 6 -0.239 15.247 -14.017 1.00 42.25 C ATOM 82 CD GLN A 6 -1.445 16.143 -14.372 1.00 64.34 C ATOM 83 OE1 GLN A 6 -2.123 16.702 -13.518 1.00 45.43 O ATOM 84 NE2 GLN A 6 -1.725 16.278 -15.655 1.00 23.31 N ATOM 0 H GLN A 6 -1.453 16.630 -11.325 1.00 10.22 H new ATOM 0 HA GLN A 6 -0.279 13.952 -11.554 1.00 32.33 H new ATOM 0 HB2 GLN A 6 0.539 16.695 -12.602 1.00 0.14 H new ATOM 0 HB3 GLN A 6 1.542 15.268 -12.780 1.00 0.14 H new ATOM 0 HG2 GLN A 6 0.475 15.288 -14.840 1.00 42.25 H new ATOM 0 HG3 GLN A 6 -0.585 14.216 -13.946 1.00 42.25 H new ATOM 0 HE21 GLN A 6 -1.152 15.807 -16.355 1.00 23.31 H new ATOM 0 HE22 GLN A 6 -2.515 16.854 -15.947 1.00 23.31 H new ATOM 93 N VAL A 7 1.379 14.032 -9.679 1.00 71.33 N ATOM 94 CA VAL A 7 2.265 13.989 -8.494 1.00 35.23 C ATOM 95 C VAL A 7 3.614 13.304 -8.808 1.00 43.45 C ATOM 96 O VAL A 7 3.718 12.482 -9.709 1.00 53.13 O ATOM 97 CB VAL A 7 1.574 13.246 -7.281 1.00 44.13 C ATOM 98 CG1 VAL A 7 0.307 14.003 -6.822 1.00 42.35 C ATOM 99 CG2 VAL A 7 1.237 11.765 -7.622 1.00 1.13 C ATOM 0 H VAL A 7 1.179 13.111 -10.070 1.00 71.33 H new ATOM 0 HA VAL A 7 2.456 15.026 -8.216 1.00 35.23 H new ATOM 0 HB VAL A 7 2.289 13.236 -6.459 1.00 44.13 H new ATOM 0 HG11 VAL A 7 -0.151 13.473 -5.987 1.00 42.35 H new ATOM 0 HG12 VAL A 7 0.579 15.010 -6.507 1.00 42.35 H new ATOM 0 HG13 VAL A 7 -0.402 14.060 -7.648 1.00 42.35 H new ATOM 0 HG21 VAL A 7 0.764 11.292 -6.761 1.00 1.13 H new ATOM 0 HG22 VAL A 7 0.557 11.733 -8.473 1.00 1.13 H new ATOM 0 HG23 VAL A 7 2.154 11.231 -7.871 1.00 1.13 H new ATOM 109 N ILE A 8 4.644 13.682 -8.048 1.00 64.41 N ATOM 110 CA ILE A 8 5.983 13.054 -8.085 1.00 32.42 C ATOM 111 C ILE A 8 6.140 12.159 -6.831 1.00 51.24 C ATOM 112 O ILE A 8 5.993 12.643 -5.702 1.00 52.45 O ATOM 113 CB ILE A 8 7.129 14.145 -8.115 1.00 45.42 C ATOM 114 CG1 ILE A 8 6.867 15.218 -9.231 1.00 4.44 C ATOM 115 CG2 ILE A 8 8.528 13.496 -8.295 1.00 31.45 C ATOM 116 CD1 ILE A 8 6.829 14.681 -10.659 1.00 55.54 C ATOM 0 H ILE A 8 4.578 14.446 -7.375 1.00 64.41 H new ATOM 0 HA ILE A 8 6.072 12.458 -8.993 1.00 32.42 H new ATOM 0 HB ILE A 8 7.117 14.652 -7.150 1.00 45.42 H new ATOM 0 HG12 ILE A 8 5.918 15.712 -9.021 1.00 4.44 H new ATOM 0 HG13 ILE A 8 7.644 15.980 -9.168 1.00 4.44 H new ATOM 0 HG21 ILE A 8 9.291 14.274 -8.311 1.00 31.45 H new ATOM 0 HG22 ILE A 8 8.722 12.815 -7.467 1.00 31.45 H new ATOM 0 HG23 ILE A 8 8.554 12.943 -9.234 1.00 31.45 H new ATOM 0 HD11 ILE A 8 6.642 15.502 -11.352 1.00 55.54 H new ATOM 0 HD12 ILE A 8 7.785 14.215 -10.898 1.00 55.54 H new ATOM 0 HD13 ILE A 8 6.033 13.942 -10.749 1.00 55.54 H new ATOM 128 N ILE A 9 6.438 10.868 -7.029 1.00 32.41 N ATOM 129 CA ILE A 9 6.460 9.878 -5.930 1.00 72.13 C ATOM 130 C ILE A 9 7.752 10.015 -5.082 1.00 2.34 C ATOM 131 O ILE A 9 8.865 9.970 -5.610 1.00 44.54 O ATOM 132 CB ILE A 9 6.307 8.415 -6.488 1.00 31.15 C ATOM 133 CG1 ILE A 9 4.987 8.294 -7.325 1.00 72.50 C ATOM 134 CG2 ILE A 9 6.349 7.361 -5.343 1.00 14.10 C ATOM 135 CD1 ILE A 9 4.740 6.931 -7.946 1.00 11.11 C ATOM 0 H ILE A 9 6.669 10.478 -7.943 1.00 32.41 H new ATOM 0 HA ILE A 9 5.609 10.081 -5.280 1.00 72.13 H new ATOM 0 HB ILE A 9 7.153 8.208 -7.144 1.00 31.15 H new ATOM 0 HG12 ILE A 9 4.143 8.541 -6.681 1.00 72.50 H new ATOM 0 HG13 ILE A 9 5.010 9.039 -8.120 1.00 72.50 H new ATOM 0 HG21 ILE A 9 6.241 6.362 -5.764 1.00 14.10 H new ATOM 0 HG22 ILE A 9 7.302 7.432 -4.818 1.00 14.10 H new ATOM 0 HG23 ILE A 9 5.534 7.550 -4.644 1.00 14.10 H new ATOM 0 HD11 ILE A 9 3.804 6.950 -8.504 1.00 11.11 H new ATOM 0 HD12 ILE A 9 5.560 6.685 -8.621 1.00 11.11 H new ATOM 0 HD13 ILE A 9 4.679 6.179 -7.160 1.00 11.11 H new ATOM 147 N ASN A 10 7.577 10.189 -3.760 1.00 23.04 N ATOM 148 CA ASN A 10 8.684 10.388 -2.808 1.00 42.32 C ATOM 149 C ASN A 10 9.176 9.017 -2.285 1.00 2.24 C ATOM 150 O ASN A 10 10.273 8.564 -2.622 1.00 21.43 O ATOM 151 CB ASN A 10 8.202 11.308 -1.643 1.00 3.25 C ATOM 152 CG ASN A 10 9.251 11.557 -0.560 1.00 54.01 C ATOM 153 OD1 ASN A 10 10.441 11.623 -0.830 1.00 34.24 O ATOM 154 ND2 ASN A 10 8.815 11.697 0.677 1.00 30.31 N ATOM 0 H ASN A 10 6.657 10.196 -3.319 1.00 23.04 H new ATOM 0 HA ASN A 10 9.523 10.876 -3.304 1.00 42.32 H new ATOM 0 HB2 ASN A 10 7.891 12.267 -2.058 1.00 3.25 H new ATOM 0 HB3 ASN A 10 7.322 10.860 -1.183 1.00 3.25 H new ATOM 0 HD21 ASN A 10 9.477 11.865 1.435 1.00 30.31 H new ATOM 0 HD22 ASN A 10 7.816 11.638 0.876 1.00 30.31 H new ATOM 161 N THR A 11 8.324 8.353 -1.496 1.00 70.33 N ATOM 162 CA THR A 11 8.639 7.065 -0.839 1.00 64.11 C ATOM 163 C THR A 11 8.044 5.890 -1.651 1.00 73.34 C ATOM 164 O THR A 11 6.957 6.016 -2.225 1.00 14.11 O ATOM 165 CB THR A 11 8.084 7.066 0.621 1.00 51.34 C ATOM 166 OG1 THR A 11 8.653 8.164 1.349 1.00 33.43 O ATOM 167 CG2 THR A 11 8.362 5.759 1.375 1.00 0.11 C ATOM 0 H THR A 11 7.385 8.692 -1.289 1.00 70.33 H new ATOM 0 HA THR A 11 9.721 6.938 -0.800 1.00 64.11 H new ATOM 0 HB THR A 11 7.001 7.167 0.547 1.00 51.34 H new ATOM 0 HG1 THR A 11 8.303 8.166 2.265 1.00 33.43 H new ATOM 0 HG21 THR A 11 7.951 5.825 2.382 1.00 0.11 H new ATOM 0 HG22 THR A 11 7.895 4.928 0.847 1.00 0.11 H new ATOM 0 HG23 THR A 11 9.438 5.594 1.433 1.00 0.11 H new ATOM 175 N SER A 12 8.761 4.742 -1.687 1.00 73.04 N ATOM 176 CA SER A 12 8.394 3.605 -2.564 1.00 34.45 C ATOM 177 C SER A 12 9.003 2.268 -2.092 1.00 32.12 C ATOM 178 O SER A 12 10.070 2.243 -1.471 1.00 23.34 O ATOM 179 CB SER A 12 8.881 3.874 -4.006 1.00 33.44 C ATOM 180 OG SER A 12 10.295 3.846 -4.080 1.00 62.43 O ATOM 0 H SER A 12 9.594 4.579 -1.121 1.00 73.04 H new ATOM 0 HA SER A 12 7.308 3.520 -2.524 1.00 34.45 H new ATOM 0 HB2 SER A 12 8.464 3.126 -4.680 1.00 33.44 H new ATOM 0 HB3 SER A 12 8.515 4.844 -4.342 1.00 33.44 H new ATOM 0 HG SER A 12 10.574 3.207 -4.768 1.00 62.43 H new ATOM 186 N HIS A 13 8.318 1.160 -2.429 1.00 41.02 N ATOM 187 CA HIS A 13 8.861 -0.214 -2.284 1.00 62.22 C ATOM 188 C HIS A 13 9.690 -0.599 -3.534 1.00 54.30 C ATOM 189 O HIS A 13 10.716 -1.280 -3.428 1.00 23.12 O ATOM 190 CB HIS A 13 7.707 -1.229 -2.064 1.00 23.42 C ATOM 191 CG HIS A 13 7.008 -1.078 -0.732 1.00 5.35 C ATOM 192 ND1 HIS A 13 6.933 -2.123 0.159 1.00 54.02 N ATOM 193 CD2 HIS A 13 6.386 0.004 -0.190 1.00 42.30 C ATOM 194 CE1 HIS A 13 6.280 -1.661 1.205 1.00 64.44 C ATOM 195 NE2 HIS A 13 5.932 -0.384 1.039 1.00 50.13 N ATOM 0 H HIS A 13 7.372 1.186 -2.810 1.00 41.02 H new ATOM 0 HA HIS A 13 9.516 -0.240 -1.413 1.00 62.22 H new ATOM 0 HB2 HIS A 13 6.975 -1.112 -2.863 1.00 23.42 H new ATOM 0 HB3 HIS A 13 8.105 -2.241 -2.142 1.00 23.42 H new ATOM 0 HD2 HIS A 13 6.273 0.978 -0.642 1.00 42.30 H new ATOM 0 HE1 HIS A 13 6.055 -2.243 2.086 1.00 64.44 H new ATOM 0 HE2 HIS A 13 5.422 0.195 1.706 1.00 50.13 H new ATOM 203 N MET A 14 9.216 -0.160 -4.719 1.00 23.14 N ATOM 204 CA MET A 14 9.906 -0.394 -6.005 1.00 4.33 C ATOM 205 C MET A 14 11.010 0.675 -6.225 1.00 73.43 C ATOM 206 O MET A 14 10.742 1.875 -6.126 1.00 2.21 O ATOM 207 CB MET A 14 8.888 -0.362 -7.185 1.00 35.13 C ATOM 208 CG MET A 14 7.711 -1.349 -7.072 1.00 62.23 C ATOM 209 SD MET A 14 6.622 -0.980 -5.673 1.00 34.20 S ATOM 210 CE MET A 14 5.319 -2.199 -5.881 1.00 51.24 C ATOM 0 H MET A 14 8.347 0.365 -4.811 1.00 23.14 H new ATOM 0 HA MET A 14 10.370 -1.380 -5.972 1.00 4.33 H new ATOM 0 HB2 MET A 14 8.486 0.648 -7.268 1.00 35.13 H new ATOM 0 HB3 MET A 14 9.425 -0.568 -8.111 1.00 35.13 H new ATOM 0 HG2 MET A 14 7.131 -1.324 -7.995 1.00 62.23 H new ATOM 0 HG3 MET A 14 8.100 -2.362 -6.967 1.00 62.23 H new ATOM 0 HE1 MET A 14 4.582 -2.083 -5.086 1.00 51.24 H new ATOM 0 HE2 MET A 14 4.836 -2.054 -6.847 1.00 51.24 H new ATOM 0 HE3 MET A 14 5.747 -3.200 -5.836 1.00 51.24 H new ATOM 220 N LYS A 15 12.244 0.229 -6.544 1.00 74.45 N ATOM 221 CA LYS A 15 13.427 1.126 -6.701 1.00 71.42 C ATOM 222 C LYS A 15 13.269 2.174 -7.846 1.00 53.13 C ATOM 223 O LYS A 15 13.801 3.286 -7.757 1.00 24.52 O ATOM 224 CB LYS A 15 14.733 0.269 -6.848 1.00 74.22 C ATOM 225 CG LYS A 15 14.713 -0.865 -7.925 1.00 31.45 C ATOM 226 CD LYS A 15 15.045 -0.402 -9.369 1.00 64.43 C ATOM 227 CE LYS A 15 16.502 0.077 -9.529 1.00 21.12 C ATOM 228 NZ LYS A 15 16.814 0.474 -10.931 1.00 14.45 N ATOM 0 H LYS A 15 12.456 -0.756 -6.701 1.00 74.45 H new ATOM 0 HA LYS A 15 13.504 1.724 -5.793 1.00 71.42 H new ATOM 0 HB2 LYS A 15 15.558 0.943 -7.079 1.00 74.22 H new ATOM 0 HB3 LYS A 15 14.953 -0.184 -5.881 1.00 74.22 H new ATOM 0 HG2 LYS A 15 15.427 -1.636 -7.633 1.00 31.45 H new ATOM 0 HG3 LYS A 15 13.726 -1.328 -7.926 1.00 31.45 H new ATOM 0 HD2 LYS A 15 14.861 -1.225 -10.060 1.00 64.43 H new ATOM 0 HD3 LYS A 15 14.370 0.406 -9.650 1.00 64.43 H new ATOM 0 HE2 LYS A 15 16.679 0.924 -8.866 1.00 21.12 H new ATOM 0 HE3 LYS A 15 17.180 -0.718 -9.219 1.00 21.12 H new ATOM 0 HZ1 LYS A 15 17.741 0.088 -11.203 1.00 14.45 H new ATOM 0 HZ2 LYS A 15 16.083 0.100 -11.569 1.00 14.45 H new ATOM 0 HZ3 LYS A 15 16.837 1.511 -11.001 1.00 14.45 H new ATOM 242 N GLY A 16 12.515 1.811 -8.908 1.00 21.21 N ATOM 243 CA GLY A 16 12.234 2.727 -10.040 1.00 41.23 C ATOM 244 C GLY A 16 10.992 3.606 -9.839 1.00 22.30 C ATOM 245 O GLY A 16 10.751 4.534 -10.625 1.00 54.11 O ATOM 0 H GLY A 16 12.089 0.889 -9.006 1.00 21.21 H new ATOM 0 HA2 GLY A 16 13.100 3.370 -10.197 1.00 41.23 H new ATOM 0 HA3 GLY A 16 12.106 2.137 -10.948 1.00 41.23 H new ATOM 249 N MET A 17 10.211 3.316 -8.775 1.00 13.24 N ATOM 250 CA MET A 17 8.988 4.089 -8.437 1.00 20.53 C ATOM 251 C MET A 17 9.364 5.364 -7.641 1.00 42.12 C ATOM 252 O MET A 17 8.662 6.380 -7.707 1.00 44.44 O ATOM 253 CB MET A 17 7.961 3.209 -7.654 1.00 21.15 C ATOM 254 CG MET A 17 6.622 3.904 -7.351 1.00 61.33 C ATOM 255 SD MET A 17 5.318 2.789 -6.775 1.00 50.43 S ATOM 256 CE MET A 17 5.896 2.283 -5.164 1.00 74.02 C ATOM 0 H MET A 17 10.404 2.549 -8.131 1.00 13.24 H new ATOM 0 HA MET A 17 8.506 4.396 -9.365 1.00 20.53 H new ATOM 0 HB2 MET A 17 7.764 2.305 -8.230 1.00 21.15 H new ATOM 0 HB3 MET A 17 8.414 2.896 -6.713 1.00 21.15 H new ATOM 0 HG2 MET A 17 6.787 4.672 -6.595 1.00 61.33 H new ATOM 0 HG3 MET A 17 6.278 4.412 -8.252 1.00 61.33 H new ATOM 0 HE1 MET A 17 5.212 1.544 -4.748 1.00 74.02 H new ATOM 0 HE2 MET A 17 6.890 1.846 -5.255 1.00 74.02 H new ATOM 0 HE3 MET A 17 5.939 3.150 -4.504 1.00 74.02 H new ATOM 266 N LYS A 18 10.484 5.303 -6.891 1.00 42.13 N ATOM 267 CA LYS A 18 11.040 6.481 -6.185 1.00 53.00 C ATOM 268 C LYS A 18 11.579 7.531 -7.189 1.00 43.20 C ATOM 269 O LYS A 18 12.495 7.250 -7.963 1.00 62.32 O ATOM 270 CB LYS A 18 12.162 6.042 -5.199 1.00 10.54 C ATOM 271 CG LYS A 18 12.785 7.193 -4.375 1.00 52.24 C ATOM 272 CD LYS A 18 13.598 6.724 -3.137 1.00 41.22 C ATOM 273 CE LYS A 18 12.726 6.222 -1.955 1.00 41.13 C ATOM 274 NZ LYS A 18 12.089 4.904 -2.204 1.00 12.32 N ATOM 0 H LYS A 18 11.024 4.448 -6.757 1.00 42.13 H new ATOM 0 HA LYS A 18 10.235 6.945 -5.615 1.00 53.00 H new ATOM 0 HB2 LYS A 18 11.753 5.301 -4.512 1.00 10.54 H new ATOM 0 HB3 LYS A 18 12.952 5.550 -5.765 1.00 10.54 H new ATOM 0 HG2 LYS A 18 13.438 7.777 -5.024 1.00 52.24 H new ATOM 0 HG3 LYS A 18 11.989 7.858 -4.042 1.00 52.24 H new ATOM 0 HD2 LYS A 18 14.273 5.924 -3.441 1.00 41.22 H new ATOM 0 HD3 LYS A 18 14.219 7.550 -2.790 1.00 41.22 H new ATOM 0 HE2 LYS A 18 13.346 6.154 -1.061 1.00 41.13 H new ATOM 0 HE3 LYS A 18 11.949 6.958 -1.749 1.00 41.13 H new ATOM 0 HZ1 LYS A 18 11.861 4.451 -1.296 1.00 12.32 H new ATOM 0 HZ2 LYS A 18 11.216 5.039 -2.752 1.00 12.32 H new ATOM 0 HZ3 LYS A 18 12.743 4.298 -2.738 1.00 12.32 H new ATOM 288 N GLY A 19 10.989 8.738 -7.157 1.00 55.53 N ATOM 289 CA GLY A 19 11.349 9.827 -8.080 1.00 65.11 C ATOM 290 C GLY A 19 10.597 9.772 -9.416 1.00 34.50 C ATOM 291 O GLY A 19 10.836 10.610 -10.295 1.00 25.25 O ATOM 0 H GLY A 19 10.254 8.985 -6.495 1.00 55.53 H new ATOM 0 HA2 GLY A 19 11.146 10.783 -7.597 1.00 65.11 H new ATOM 0 HA3 GLY A 19 12.421 9.789 -8.274 1.00 65.11 H new ATOM 295 N ALA A 20 9.687 8.786 -9.568 1.00 4.42 N ATOM 296 CA ALA A 20 8.902 8.594 -10.809 1.00 0.02 C ATOM 297 C ALA A 20 7.703 9.566 -10.893 1.00 74.42 C ATOM 298 O ALA A 20 7.161 10.001 -9.870 1.00 61.43 O ATOM 299 CB ALA A 20 8.415 7.140 -10.924 1.00 61.13 C ATOM 0 H ALA A 20 9.476 8.104 -8.840 1.00 4.42 H new ATOM 0 HA ALA A 20 9.565 8.815 -11.645 1.00 0.02 H new ATOM 0 HB1 ALA A 20 7.840 7.020 -11.843 1.00 61.13 H new ATOM 0 HB2 ALA A 20 9.274 6.469 -10.943 1.00 61.13 H new ATOM 0 HB3 ALA A 20 7.785 6.899 -10.068 1.00 61.13 H new ATOM 305 N GLU A 21 7.304 9.886 -12.131 1.00 75.52 N ATOM 306 CA GLU A 21 6.169 10.781 -12.430 1.00 70.54 C ATOM 307 C GLU A 21 4.848 9.983 -12.455 1.00 2.14 C ATOM 308 O GLU A 21 4.759 8.938 -13.109 1.00 5.24 O ATOM 309 CB GLU A 21 6.418 11.478 -13.791 1.00 40.22 C ATOM 310 CG GLU A 21 7.694 12.353 -13.821 1.00 72.05 C ATOM 311 CD GLU A 21 8.150 12.714 -15.245 1.00 43.44 C ATOM 312 OE1 GLU A 21 7.635 13.700 -15.821 1.00 13.04 O ATOM 313 OE2 GLU A 21 9.030 12.009 -15.788 1.00 24.41 O ATOM 0 H GLU A 21 7.764 9.527 -12.968 1.00 75.52 H new ATOM 0 HA GLU A 21 6.086 11.539 -11.651 1.00 70.54 H new ATOM 0 HB2 GLU A 21 6.491 10.719 -14.569 1.00 40.22 H new ATOM 0 HB3 GLU A 21 5.556 12.100 -14.033 1.00 40.22 H new ATOM 0 HG2 GLU A 21 7.510 13.271 -13.262 1.00 72.05 H new ATOM 0 HG3 GLU A 21 8.500 11.825 -13.311 1.00 72.05 H new ATOM 320 N ALA A 22 3.829 10.505 -11.759 1.00 11.20 N ATOM 321 CA ALA A 22 2.538 9.821 -11.560 1.00 25.53 C ATOM 322 C ALA A 22 1.344 10.792 -11.649 1.00 11.41 C ATOM 323 O ALA A 22 1.506 12.006 -11.785 1.00 23.22 O ATOM 324 CB ALA A 22 2.536 9.107 -10.194 1.00 62.10 C ATOM 0 H ALA A 22 3.875 11.421 -11.313 1.00 11.20 H new ATOM 0 HA ALA A 22 2.423 9.092 -12.362 1.00 25.53 H new ATOM 0 HB1 ALA A 22 1.581 8.602 -10.049 1.00 62.10 H new ATOM 0 HB2 ALA A 22 3.342 8.374 -10.165 1.00 62.10 H new ATOM 0 HB3 ALA A 22 2.683 9.839 -9.400 1.00 62.10 H new ATOM 330 N THR A 23 0.141 10.212 -11.605 1.00 63.30 N ATOM 331 CA THR A 23 -1.138 10.946 -11.481 1.00 14.24 C ATOM 332 C THR A 23 -2.048 10.194 -10.482 1.00 35.51 C ATOM 333 O THR A 23 -1.984 8.972 -10.393 1.00 0.34 O ATOM 334 CB THR A 23 -1.862 11.065 -12.873 1.00 42.54 C ATOM 335 OG1 THR A 23 -1.007 11.730 -13.827 1.00 71.05 O ATOM 336 CG2 THR A 23 -3.198 11.831 -12.791 1.00 74.14 C ATOM 0 H THR A 23 0.018 9.201 -11.655 1.00 63.30 H new ATOM 0 HA THR A 23 -0.933 11.955 -11.122 1.00 14.24 H new ATOM 0 HB THR A 23 -2.077 10.046 -13.193 1.00 42.54 H new ATOM 0 HG1 THR A 23 -1.468 11.796 -14.689 1.00 71.05 H new ATOM 0 HG21 THR A 23 -3.650 11.881 -13.781 1.00 74.14 H new ATOM 0 HG22 THR A 23 -3.873 11.313 -12.109 1.00 74.14 H new ATOM 0 HG23 THR A 23 -3.016 12.841 -12.424 1.00 74.14 H new ATOM 344 N VAL A 24 -2.868 10.921 -9.719 1.00 63.24 N ATOM 345 CA VAL A 24 -3.808 10.316 -8.755 1.00 50.14 C ATOM 346 C VAL A 24 -5.072 9.795 -9.482 1.00 1.34 C ATOM 347 O VAL A 24 -5.798 10.566 -10.105 1.00 11.50 O ATOM 348 CB VAL A 24 -4.203 11.351 -7.639 1.00 14.14 C ATOM 349 CG1 VAL A 24 -5.217 10.755 -6.629 1.00 30.15 C ATOM 350 CG2 VAL A 24 -2.943 11.879 -6.911 1.00 0.44 C ATOM 0 H VAL A 24 -2.904 11.940 -9.747 1.00 63.24 H new ATOM 0 HA VAL A 24 -3.311 9.471 -8.278 1.00 50.14 H new ATOM 0 HB VAL A 24 -4.695 12.190 -8.132 1.00 14.14 H new ATOM 0 HG11 VAL A 24 -5.463 11.503 -5.875 1.00 30.15 H new ATOM 0 HG12 VAL A 24 -6.124 10.459 -7.156 1.00 30.15 H new ATOM 0 HG13 VAL A 24 -4.778 9.883 -6.145 1.00 30.15 H new ATOM 0 HG21 VAL A 24 -3.239 12.594 -6.143 1.00 0.44 H new ATOM 0 HG22 VAL A 24 -2.415 11.046 -6.447 1.00 0.44 H new ATOM 0 HG23 VAL A 24 -2.287 12.370 -7.630 1.00 0.44 H new ATOM 360 N THR A 25 -5.313 8.480 -9.414 1.00 42.52 N ATOM 361 CA THR A 25 -6.531 7.842 -9.966 1.00 65.11 C ATOM 362 C THR A 25 -7.627 7.675 -8.884 1.00 24.04 C ATOM 363 O THR A 25 -8.800 7.476 -9.221 1.00 4.43 O ATOM 364 CB THR A 25 -6.213 6.446 -10.598 1.00 45.11 C ATOM 365 OG1 THR A 25 -5.555 5.597 -9.639 1.00 31.34 O ATOM 366 CG2 THR A 25 -5.334 6.578 -11.848 1.00 63.14 C ATOM 0 H THR A 25 -4.671 7.820 -8.975 1.00 42.52 H new ATOM 0 HA THR A 25 -6.902 8.507 -10.746 1.00 65.11 H new ATOM 0 HB THR A 25 -7.163 6.000 -10.891 1.00 45.11 H new ATOM 0 HG1 THR A 25 -5.086 4.876 -10.108 1.00 31.34 H new ATOM 0 HG21 THR A 25 -5.134 5.588 -12.259 1.00 63.14 H new ATOM 0 HG22 THR A 25 -5.850 7.183 -12.594 1.00 63.14 H new ATOM 0 HG23 THR A 25 -4.392 7.057 -11.581 1.00 63.14 H new ATOM 374 N GLY A 26 -7.244 7.747 -7.589 1.00 72.51 N ATOM 375 CA GLY A 26 -8.205 7.637 -6.475 1.00 24.41 C ATOM 376 C GLY A 26 -7.685 8.276 -5.178 1.00 44.23 C ATOM 377 O GLY A 26 -6.488 8.222 -4.898 1.00 33.24 O ATOM 0 H GLY A 26 -6.277 7.881 -7.293 1.00 72.51 H new ATOM 0 HA2 GLY A 26 -9.142 8.115 -6.760 1.00 24.41 H new ATOM 0 HA3 GLY A 26 -8.426 6.585 -6.294 1.00 24.41 H new ATOM 381 N ALA A 27 -8.594 8.878 -4.385 1.00 43.24 N ATOM 382 CA ALA A 27 -8.252 9.561 -3.114 1.00 50.42 C ATOM 383 C ALA A 27 -9.229 9.142 -1.986 1.00 34.32 C ATOM 384 O ALA A 27 -10.444 9.335 -2.100 1.00 74.15 O ATOM 385 CB ALA A 27 -8.264 11.088 -3.324 1.00 35.32 C ATOM 0 H ALA A 27 -9.589 8.906 -4.606 1.00 43.24 H new ATOM 0 HA ALA A 27 -7.250 9.261 -2.808 1.00 50.42 H new ATOM 0 HB1 ALA A 27 -8.012 11.586 -2.388 1.00 35.32 H new ATOM 0 HB2 ALA A 27 -7.532 11.356 -4.086 1.00 35.32 H new ATOM 0 HB3 ALA A 27 -9.256 11.403 -3.647 1.00 35.32 H new ATOM 391 N TYR A 28 -8.679 8.540 -0.912 1.00 54.13 N ATOM 392 CA TYR A 28 -9.455 8.011 0.242 1.00 3.40 C ATOM 393 C TYR A 28 -8.858 8.521 1.572 1.00 21.14 C ATOM 394 O TYR A 28 -7.664 8.751 1.655 1.00 23.30 O ATOM 395 CB TYR A 28 -9.412 6.451 0.249 1.00 21.11 C ATOM 396 CG TYR A 28 -10.032 5.757 -0.986 1.00 1.32 C ATOM 397 CD1 TYR A 28 -9.338 5.682 -2.201 1.00 31.10 C ATOM 398 CD2 TYR A 28 -11.299 5.174 -0.932 1.00 41.34 C ATOM 399 CE1 TYR A 28 -9.887 5.054 -3.306 1.00 1.12 C ATOM 400 CE2 TYR A 28 -11.848 4.545 -2.034 1.00 2.55 C ATOM 401 CZ TYR A 28 -11.142 4.487 -3.216 1.00 61.51 C ATOM 402 OH TYR A 28 -11.699 3.858 -4.311 1.00 13.12 O ATOM 0 H TYR A 28 -7.673 8.403 -0.815 1.00 54.13 H new ATOM 0 HA TYR A 28 -10.484 8.356 0.143 1.00 3.40 H new ATOM 0 HB2 TYR A 28 -8.372 6.135 0.337 1.00 21.11 H new ATOM 0 HB3 TYR A 28 -9.929 6.096 1.140 1.00 21.11 H new ATOM 0 HD1 TYR A 28 -8.355 6.123 -2.277 1.00 31.10 H new ATOM 0 HD2 TYR A 28 -11.862 5.215 -0.011 1.00 41.34 H new ATOM 0 HE1 TYR A 28 -9.336 5.008 -4.234 1.00 1.12 H new ATOM 0 HE2 TYR A 28 -12.830 4.099 -1.969 1.00 2.55 H new ATOM 0 HH TYR A 28 -12.586 3.514 -4.075 1.00 13.12 H new ATOM 412 N ASP A 29 -9.700 8.690 2.605 1.00 22.42 N ATOM 413 CA ASP A 29 -9.237 8.910 4.004 1.00 22.23 C ATOM 414 C ASP A 29 -9.889 7.868 4.947 1.00 31.32 C ATOM 415 O ASP A 29 -10.995 8.051 5.464 1.00 23.00 O ATOM 416 CB ASP A 29 -9.467 10.382 4.469 1.00 63.24 C ATOM 417 CG ASP A 29 -10.927 10.866 4.382 1.00 44.40 C ATOM 418 OD1 ASP A 29 -11.410 11.132 3.259 1.00 62.43 O ATOM 419 OD2 ASP A 29 -11.593 10.977 5.435 1.00 42.52 O ATOM 0 H ASP A 29 -10.715 8.680 2.506 1.00 22.42 H new ATOM 0 HA ASP A 29 -8.158 8.759 4.044 1.00 22.23 H new ATOM 0 HB2 ASP A 29 -9.127 10.480 5.500 1.00 63.24 H new ATOM 0 HB3 ASP A 29 -8.844 11.041 3.864 1.00 63.24 H new ATOM 424 N THR A 30 -9.190 6.738 5.122 1.00 65.10 N ATOM 425 CA THR A 30 -9.692 5.563 5.883 1.00 72.33 C ATOM 426 C THR A 30 -8.602 5.005 6.833 1.00 22.03 C ATOM 427 O THR A 30 -7.471 5.511 6.857 1.00 52.22 O ATOM 428 CB THR A 30 -10.185 4.450 4.891 1.00 64.14 C ATOM 429 OG1 THR A 30 -10.663 3.291 5.603 1.00 54.20 O ATOM 430 CG2 THR A 30 -9.083 4.031 3.901 1.00 25.13 C ATOM 0 H THR A 30 -8.254 6.603 4.741 1.00 65.10 H new ATOM 0 HA THR A 30 -10.533 5.886 6.497 1.00 72.33 H new ATOM 0 HB THR A 30 -11.008 4.883 4.322 1.00 64.14 H new ATOM 0 HG1 THR A 30 -10.965 2.615 4.961 1.00 54.20 H new ATOM 0 HG21 THR A 30 -9.467 3.259 3.234 1.00 25.13 H new ATOM 0 HG22 THR A 30 -8.772 4.896 3.315 1.00 25.13 H new ATOM 0 HG23 THR A 30 -8.228 3.641 4.452 1.00 25.13 H new ATOM 438 N THR A 31 -8.947 3.966 7.623 1.00 33.22 N ATOM 439 CA THR A 31 -7.976 3.286 8.505 1.00 63.53 C ATOM 440 C THR A 31 -7.007 2.409 7.670 1.00 42.22 C ATOM 441 O THR A 31 -7.395 1.383 7.094 1.00 34.24 O ATOM 442 CB THR A 31 -8.667 2.412 9.614 1.00 3.11 C ATOM 443 OG1 THR A 31 -9.662 3.182 10.307 1.00 35.55 O ATOM 444 CG2 THR A 31 -7.646 1.888 10.649 1.00 2.53 C ATOM 0 H THR A 31 -9.890 3.580 7.668 1.00 33.22 H new ATOM 0 HA THR A 31 -7.416 4.070 9.015 1.00 63.53 H new ATOM 0 HB THR A 31 -9.127 1.562 9.110 1.00 3.11 H new ATOM 0 HG1 THR A 31 -10.086 2.626 10.994 1.00 35.55 H new ATOM 0 HG21 THR A 31 -8.163 1.289 11.399 1.00 2.53 H new ATOM 0 HG22 THR A 31 -6.899 1.274 10.145 1.00 2.53 H new ATOM 0 HG23 THR A 31 -7.155 2.731 11.134 1.00 2.53 H new ATOM 452 N ALA A 32 -5.749 2.857 7.618 1.00 35.22 N ATOM 453 CA ALA A 32 -4.639 2.195 6.921 1.00 51.12 C ATOM 454 C ALA A 32 -3.757 1.430 7.940 1.00 44.32 C ATOM 455 O ALA A 32 -3.787 1.715 9.145 1.00 12.20 O ATOM 456 CB ALA A 32 -3.821 3.251 6.168 1.00 43.44 C ATOM 0 H ALA A 32 -5.464 3.722 8.077 1.00 35.22 H new ATOM 0 HA ALA A 32 -5.027 1.472 6.203 1.00 51.12 H new ATOM 0 HB1 ALA A 32 -2.994 2.768 5.647 1.00 43.44 H new ATOM 0 HB2 ALA A 32 -4.459 3.757 5.444 1.00 43.44 H new ATOM 0 HB3 ALA A 32 -3.427 3.980 6.877 1.00 43.44 H new ATOM 462 N TYR A 33 -2.955 0.472 7.446 1.00 74.50 N ATOM 463 CA TYR A 33 -2.175 -0.459 8.292 1.00 11.43 C ATOM 464 C TYR A 33 -0.752 -0.679 7.733 1.00 64.50 C ATOM 465 O TYR A 33 -0.531 -0.693 6.511 1.00 42.33 O ATOM 466 CB TYR A 33 -2.885 -1.847 8.403 1.00 32.32 C ATOM 467 CG TYR A 33 -4.338 -1.790 8.905 1.00 51.04 C ATOM 468 CD1 TYR A 33 -4.625 -1.528 10.244 1.00 0.22 C ATOM 469 CD2 TYR A 33 -5.419 -1.982 8.036 1.00 12.02 C ATOM 470 CE1 TYR A 33 -5.930 -1.462 10.697 1.00 73.30 C ATOM 471 CE2 TYR A 33 -6.724 -1.918 8.491 1.00 43.31 C ATOM 472 CZ TYR A 33 -6.974 -1.657 9.820 1.00 22.22 C ATOM 473 OH TYR A 33 -8.280 -1.590 10.277 1.00 41.35 O ATOM 0 H TYR A 33 -2.826 0.318 6.446 1.00 74.50 H new ATOM 0 HA TYR A 33 -2.106 0.000 9.278 1.00 11.43 H new ATOM 0 HB2 TYR A 33 -2.872 -2.325 7.424 1.00 32.32 H new ATOM 0 HB3 TYR A 33 -2.308 -2.482 9.075 1.00 32.32 H new ATOM 0 HD1 TYR A 33 -3.814 -1.374 10.940 1.00 0.22 H new ATOM 0 HD2 TYR A 33 -5.231 -2.184 6.992 1.00 12.02 H new ATOM 0 HE1 TYR A 33 -6.130 -1.258 11.738 1.00 73.30 H new ATOM 0 HE2 TYR A 33 -7.544 -2.072 7.806 1.00 43.31 H new ATOM 0 HH TYR A 33 -8.896 -1.749 9.532 1.00 41.35 H new ATOM 483 N VAL A 34 0.200 -0.831 8.661 1.00 42.15 N ATOM 484 CA VAL A 34 1.547 -1.365 8.385 1.00 42.30 C ATOM 485 C VAL A 34 1.543 -2.847 8.815 1.00 44.33 C ATOM 486 O VAL A 34 1.402 -3.131 10.007 1.00 32.41 O ATOM 487 CB VAL A 34 2.664 -0.585 9.187 1.00 23.20 C ATOM 488 CG1 VAL A 34 4.078 -1.146 8.878 1.00 13.42 C ATOM 489 CG2 VAL A 34 2.594 0.937 8.908 1.00 72.45 C ATOM 0 H VAL A 34 0.058 -0.584 9.640 1.00 42.15 H new ATOM 0 HA VAL A 34 1.775 -1.251 7.325 1.00 42.30 H new ATOM 0 HB VAL A 34 2.473 -0.738 10.249 1.00 23.20 H new ATOM 0 HG11 VAL A 34 4.823 -0.588 9.445 1.00 13.42 H new ATOM 0 HG12 VAL A 34 4.121 -2.198 9.159 1.00 13.42 H new ATOM 0 HG13 VAL A 34 4.284 -1.046 7.812 1.00 13.42 H new ATOM 0 HG21 VAL A 34 3.374 1.447 9.473 1.00 72.45 H new ATOM 0 HG22 VAL A 34 2.740 1.119 7.843 1.00 72.45 H new ATOM 0 HG23 VAL A 34 1.619 1.318 9.211 1.00 72.45 H new ATOM 499 N VAL A 35 1.622 -3.791 7.855 1.00 32.11 N ATOM 500 CA VAL A 35 1.584 -5.247 8.171 1.00 52.14 C ATOM 501 C VAL A 35 2.936 -5.943 7.887 1.00 73.01 C ATOM 502 O VAL A 35 3.631 -5.621 6.930 1.00 23.41 O ATOM 503 CB VAL A 35 0.433 -5.981 7.374 1.00 0.11 C ATOM 504 CG1 VAL A 35 -0.964 -5.515 7.856 1.00 5.11 C ATOM 505 CG2 VAL A 35 0.585 -5.789 5.839 1.00 44.03 C ATOM 0 H VAL A 35 1.712 -3.581 6.861 1.00 32.11 H new ATOM 0 HA VAL A 35 1.381 -5.321 9.239 1.00 52.14 H new ATOM 0 HB VAL A 35 0.524 -7.047 7.581 1.00 0.11 H new ATOM 0 HG11 VAL A 35 -1.737 -6.036 7.291 1.00 5.11 H new ATOM 0 HG12 VAL A 35 -1.077 -5.740 8.917 1.00 5.11 H new ATOM 0 HG13 VAL A 35 -1.063 -4.441 7.700 1.00 5.11 H new ATOM 0 HG21 VAL A 35 -0.224 -6.308 5.325 1.00 44.03 H new ATOM 0 HG22 VAL A 35 0.544 -4.726 5.599 1.00 44.03 H new ATOM 0 HG23 VAL A 35 1.542 -6.198 5.514 1.00 44.03 H new ATOM 515 N SER A 36 3.279 -6.918 8.738 1.00 62.32 N ATOM 516 CA SER A 36 4.465 -7.792 8.570 1.00 10.22 C ATOM 517 C SER A 36 4.010 -9.252 8.385 1.00 3.21 C ATOM 518 O SER A 36 3.244 -9.780 9.200 1.00 53.31 O ATOM 519 CB SER A 36 5.412 -7.656 9.789 1.00 10.43 C ATOM 520 OG SER A 36 4.721 -7.869 11.013 1.00 33.03 O ATOM 0 H SER A 36 2.739 -7.131 9.576 1.00 62.32 H new ATOM 0 HA SER A 36 5.016 -7.484 7.682 1.00 10.22 H new ATOM 0 HB2 SER A 36 6.226 -8.375 9.700 1.00 10.43 H new ATOM 0 HB3 SER A 36 5.862 -6.663 9.792 1.00 10.43 H new ATOM 0 HG SER A 36 4.752 -7.052 11.553 1.00 33.03 H new ATOM 526 N TYR A 37 4.501 -9.911 7.325 1.00 71.42 N ATOM 527 CA TYR A 37 3.982 -11.226 6.883 1.00 34.44 C ATOM 528 C TYR A 37 5.071 -12.052 6.188 1.00 35.30 C ATOM 529 O TYR A 37 6.052 -11.512 5.686 1.00 54.23 O ATOM 530 CB TYR A 37 2.745 -11.060 5.949 1.00 5.11 C ATOM 531 CG TYR A 37 2.980 -10.221 4.676 1.00 54.03 C ATOM 532 CD1 TYR A 37 2.843 -8.830 4.697 1.00 44.00 C ATOM 533 CD2 TYR A 37 3.334 -10.818 3.458 1.00 70.43 C ATOM 534 CE1 TYR A 37 3.047 -8.073 3.563 1.00 24.23 C ATOM 535 CE2 TYR A 37 3.543 -10.058 2.322 1.00 20.55 C ATOM 536 CZ TYR A 37 3.399 -8.686 2.380 1.00 31.52 C ATOM 537 OH TYR A 37 3.611 -7.921 1.250 1.00 43.24 O ATOM 0 H TYR A 37 5.264 -9.555 6.749 1.00 71.42 H new ATOM 0 HA TYR A 37 3.666 -11.765 7.776 1.00 34.44 H new ATOM 0 HB2 TYR A 37 2.401 -12.051 5.651 1.00 5.11 H new ATOM 0 HB3 TYR A 37 1.939 -10.601 6.521 1.00 5.11 H new ATOM 0 HD1 TYR A 37 2.572 -8.339 5.620 1.00 44.00 H new ATOM 0 HD2 TYR A 37 3.445 -11.891 3.406 1.00 70.43 H new ATOM 0 HE1 TYR A 37 2.931 -7.000 3.602 1.00 24.23 H new ATOM 0 HE2 TYR A 37 3.818 -10.536 1.393 1.00 20.55 H new ATOM 0 HH TYR A 37 2.857 -8.032 0.634 1.00 43.24 H new ATOM 547 N THR A 38 4.867 -13.371 6.157 1.00 74.43 N ATOM 548 CA THR A 38 5.774 -14.317 5.486 1.00 63.11 C ATOM 549 C THR A 38 5.089 -14.848 4.201 1.00 60.32 C ATOM 550 O THR A 38 4.022 -15.473 4.298 1.00 54.44 O ATOM 551 CB THR A 38 6.153 -15.505 6.439 1.00 4.24 C ATOM 552 OG1 THR A 38 6.798 -14.996 7.622 1.00 71.02 O ATOM 553 CG2 THR A 38 7.075 -16.535 5.760 1.00 0.12 C ATOM 0 H THR A 38 4.064 -13.820 6.598 1.00 74.43 H new ATOM 0 HA THR A 38 6.697 -13.800 5.222 1.00 63.11 H new ATOM 0 HB THR A 38 5.225 -16.014 6.700 1.00 4.24 H new ATOM 0 HG1 THR A 38 7.031 -15.741 8.214 1.00 71.02 H new ATOM 0 HG21 THR A 38 7.306 -17.335 6.463 1.00 0.12 H new ATOM 0 HG22 THR A 38 6.573 -16.953 4.887 1.00 0.12 H new ATOM 0 HG23 THR A 38 7.999 -16.047 5.449 1.00 0.12 H new ATOM 561 N PRO A 39 5.660 -14.578 2.973 1.00 40.42 N ATOM 562 CA PRO A 39 5.110 -15.110 1.698 1.00 74.12 C ATOM 563 C PRO A 39 5.109 -16.672 1.671 1.00 41.02 C ATOM 564 O PRO A 39 6.159 -17.314 1.839 1.00 60.44 O ATOM 565 CB PRO A 39 6.035 -14.489 0.611 1.00 34.35 C ATOM 566 CG PRO A 39 7.287 -14.103 1.340 1.00 34.33 C ATOM 567 CD PRO A 39 6.852 -13.723 2.738 1.00 1.44 C ATOM 0 HA PRO A 39 4.064 -14.846 1.544 1.00 74.12 H new ATOM 0 HB2 PRO A 39 6.246 -15.205 -0.183 1.00 34.35 H new ATOM 0 HB3 PRO A 39 5.568 -13.622 0.143 1.00 34.35 H new ATOM 0 HG2 PRO A 39 7.996 -14.930 1.363 1.00 34.33 H new ATOM 0 HG3 PRO A 39 7.786 -13.269 0.846 1.00 34.33 H new ATOM 0 HD2 PRO A 39 7.636 -13.918 3.470 1.00 1.44 H new ATOM 0 HD3 PRO A 39 6.606 -12.663 2.808 1.00 1.44 H new ATOM 575 N THR A 40 3.913 -17.252 1.438 1.00 34.00 N ATOM 576 CA THR A 40 3.623 -18.707 1.617 1.00 24.12 C ATOM 577 C THR A 40 4.439 -19.648 0.687 1.00 23.32 C ATOM 578 O THR A 40 4.489 -20.862 0.914 1.00 51.12 O ATOM 579 CB THR A 40 2.099 -18.991 1.381 1.00 42.43 C ATOM 580 OG1 THR A 40 1.748 -18.659 0.021 1.00 71.12 O ATOM 581 CG2 THR A 40 1.207 -18.189 2.345 1.00 51.54 C ATOM 0 H THR A 40 3.103 -16.722 1.115 1.00 34.00 H new ATOM 0 HA THR A 40 3.921 -18.928 2.642 1.00 24.12 H new ATOM 0 HB THR A 40 1.930 -20.051 1.569 1.00 42.43 H new ATOM 0 HG1 THR A 40 0.796 -18.839 -0.124 1.00 71.12 H new ATOM 0 HG21 THR A 40 0.160 -18.416 2.146 1.00 51.54 H new ATOM 0 HG22 THR A 40 1.448 -18.459 3.373 1.00 51.54 H new ATOM 0 HG23 THR A 40 1.381 -17.123 2.200 1.00 51.54 H new ATOM 589 N ASN A 41 5.071 -19.080 -0.356 1.00 45.11 N ATOM 590 CA ASN A 41 5.833 -19.853 -1.377 1.00 2.30 C ATOM 591 C ASN A 41 7.306 -20.128 -0.948 1.00 34.20 C ATOM 592 O ASN A 41 8.113 -20.603 -1.757 1.00 1.04 O ATOM 593 CB ASN A 41 5.782 -19.110 -2.743 1.00 5.23 C ATOM 594 CG ASN A 41 4.387 -19.069 -3.398 1.00 12.32 C ATOM 595 OD1 ASN A 41 4.270 -19.080 -4.619 1.00 32.52 O ATOM 596 ND2 ASN A 41 3.314 -19.013 -2.619 1.00 21.34 N ATOM 0 H ASN A 41 5.073 -18.074 -0.523 1.00 45.11 H new ATOM 0 HA ASN A 41 5.356 -20.828 -1.475 1.00 2.30 H new ATOM 0 HB2 ASN A 41 6.132 -18.088 -2.599 1.00 5.23 H new ATOM 0 HB3 ASN A 41 6.478 -19.591 -3.430 1.00 5.23 H new ATOM 0 HD21 ASN A 41 2.383 -18.979 -3.035 1.00 21.34 H new ATOM 0 HD22 ASN A 41 3.420 -19.004 -1.605 1.00 21.34 H new ATOM 603 N GLY A 42 7.635 -19.865 0.330 1.00 60.43 N ATOM 604 CA GLY A 42 8.986 -20.112 0.858 1.00 62.25 C ATOM 605 C GLY A 42 9.971 -18.991 0.521 1.00 61.32 C ATOM 606 O GLY A 42 11.044 -19.235 -0.034 1.00 3.41 O ATOM 0 H GLY A 42 6.983 -19.482 1.014 1.00 60.43 H new ATOM 0 HA2 GLY A 42 8.932 -20.228 1.940 1.00 62.25 H new ATOM 0 HA3 GLY A 42 9.362 -21.052 0.455 1.00 62.25 H new ATOM 610 N GLY A 43 9.585 -17.752 0.862 1.00 43.22 N ATOM 611 CA GLY A 43 10.420 -16.558 0.628 1.00 0.04 C ATOM 612 C GLY A 43 10.761 -15.810 1.917 1.00 64.21 C ATOM 613 O GLY A 43 10.187 -16.102 2.974 1.00 34.13 O ATOM 0 H GLY A 43 8.690 -17.547 1.306 1.00 43.22 H new ATOM 0 HA2 GLY A 43 11.343 -16.858 0.132 1.00 0.04 H new ATOM 0 HA3 GLY A 43 9.899 -15.883 -0.051 1.00 0.04 H new ATOM 617 N GLN A 44 11.705 -14.845 1.829 1.00 42.33 N ATOM 618 CA GLN A 44 12.080 -13.965 2.964 1.00 25.00 C ATOM 619 C GLN A 44 10.859 -13.166 3.485 1.00 30.33 C ATOM 620 O GLN A 44 10.069 -12.646 2.684 1.00 24.25 O ATOM 621 CB GLN A 44 13.230 -12.997 2.540 1.00 14.11 C ATOM 622 CG GLN A 44 13.607 -11.873 3.549 1.00 22.40 C ATOM 623 CD GLN A 44 14.181 -12.345 4.906 1.00 43.22 C ATOM 624 OE1 GLN A 44 13.843 -13.400 5.428 1.00 75.03 O ATOM 625 NE2 GLN A 44 15.051 -11.547 5.500 1.00 3.14 N ATOM 0 H GLN A 44 12.227 -14.654 0.974 1.00 42.33 H new ATOM 0 HA GLN A 44 12.434 -14.597 3.779 1.00 25.00 H new ATOM 0 HB2 GLN A 44 14.122 -13.593 2.346 1.00 14.11 H new ATOM 0 HB3 GLN A 44 12.949 -12.527 1.597 1.00 14.11 H new ATOM 0 HG2 GLN A 44 14.338 -11.218 3.076 1.00 22.40 H new ATOM 0 HG3 GLN A 44 12.718 -11.272 3.742 1.00 22.40 H new ATOM 0 HE21 GLN A 44 15.325 -10.671 5.056 1.00 3.14 H new ATOM 0 HE22 GLN A 44 15.448 -11.807 6.403 1.00 3.14 H new ATOM 634 N ARG A 45 10.703 -13.107 4.823 1.00 71.31 N ATOM 635 CA ARG A 45 9.616 -12.345 5.473 1.00 31.20 C ATOM 636 C ARG A 45 9.645 -10.850 5.041 1.00 54.04 C ATOM 637 O ARG A 45 10.714 -10.237 4.925 1.00 43.43 O ATOM 638 CB ARG A 45 9.703 -12.468 7.027 1.00 34.33 C ATOM 639 CG ARG A 45 10.879 -11.692 7.664 1.00 4.30 C ATOM 640 CD ARG A 45 10.927 -11.768 9.203 1.00 13.11 C ATOM 641 NE ARG A 45 11.809 -10.723 9.750 1.00 3.51 N ATOM 642 CZ ARG A 45 12.387 -10.725 10.931 1.00 53.44 C ATOM 643 NH1 ARG A 45 12.310 -11.740 11.731 1.00 52.31 N ATOM 644 NH2 ARG A 45 13.039 -9.676 11.302 1.00 3.54 N ATOM 0 H ARG A 45 11.322 -13.582 5.480 1.00 71.31 H new ATOM 0 HA ARG A 45 8.668 -12.774 5.148 1.00 31.20 H new ATOM 0 HB2 ARG A 45 8.770 -12.109 7.461 1.00 34.33 H new ATOM 0 HB3 ARG A 45 9.793 -13.522 7.291 1.00 34.33 H new ATOM 0 HG2 ARG A 45 11.815 -12.080 7.263 1.00 4.30 H new ATOM 0 HG3 ARG A 45 10.814 -10.646 7.365 1.00 4.30 H new ATOM 0 HD2 ARG A 45 9.922 -11.652 9.609 1.00 13.11 H new ATOM 0 HD3 ARG A 45 11.284 -12.750 9.512 1.00 13.11 H new ATOM 0 HE ARG A 45 11.990 -9.916 9.152 1.00 3.51 H new ATOM 0 HH11 ARG A 45 11.789 -12.571 11.452 1.00 52.31 H new ATOM 0 HH12 ARG A 45 12.770 -11.709 12.641 1.00 52.31 H new ATOM 0 HH21 ARG A 45 13.098 -8.867 10.683 1.00 3.54 H new ATOM 0 HH22 ARG A 45 13.495 -9.655 12.214 1.00 3.54 H new ATOM 658 N VAL A 46 8.470 -10.300 4.748 1.00 21.20 N ATOM 659 CA VAL A 46 8.312 -8.888 4.379 1.00 22.45 C ATOM 660 C VAL A 46 8.150 -8.028 5.659 1.00 5.21 C ATOM 661 O VAL A 46 7.083 -8.024 6.298 1.00 4.21 O ATOM 662 CB VAL A 46 7.094 -8.705 3.402 1.00 15.52 C ATOM 663 CG1 VAL A 46 6.926 -7.233 2.956 1.00 41.24 C ATOM 664 CG2 VAL A 46 7.232 -9.642 2.172 1.00 22.01 C ATOM 0 H VAL A 46 7.593 -10.821 4.759 1.00 21.20 H new ATOM 0 HA VAL A 46 9.205 -8.551 3.852 1.00 22.45 H new ATOM 0 HB VAL A 46 6.193 -8.981 3.950 1.00 15.52 H new ATOM 0 HG11 VAL A 46 6.073 -7.152 2.282 1.00 41.24 H new ATOM 0 HG12 VAL A 46 6.758 -6.605 3.831 1.00 41.24 H new ATOM 0 HG13 VAL A 46 7.828 -6.904 2.441 1.00 41.24 H new ATOM 0 HG21 VAL A 46 6.379 -9.500 1.509 1.00 22.01 H new ATOM 0 HG22 VAL A 46 8.152 -9.406 1.636 1.00 22.01 H new ATOM 0 HG23 VAL A 46 7.263 -10.679 2.506 1.00 22.01 H new ATOM 674 N ASP A 47 9.238 -7.335 6.035 1.00 10.53 N ATOM 675 CA ASP A 47 9.305 -6.507 7.252 1.00 51.04 C ATOM 676 C ASP A 47 8.646 -5.125 7.015 1.00 32.14 C ATOM 677 O ASP A 47 9.203 -4.289 6.290 1.00 22.42 O ATOM 678 CB ASP A 47 10.780 -6.323 7.688 1.00 54.22 C ATOM 679 CG ASP A 47 11.436 -7.624 8.172 1.00 52.13 C ATOM 680 OD1 ASP A 47 11.853 -8.447 7.330 1.00 2.34 O ATOM 681 OD2 ASP A 47 11.547 -7.825 9.401 1.00 2.21 O ATOM 0 H ASP A 47 10.105 -7.334 5.497 1.00 10.53 H new ATOM 0 HA ASP A 47 8.758 -7.017 8.045 1.00 51.04 H new ATOM 0 HB2 ASP A 47 11.353 -5.925 6.850 1.00 54.22 H new ATOM 0 HB3 ASP A 47 10.826 -5.582 8.486 1.00 54.22 H new ATOM 686 N HIS A 48 7.464 -4.910 7.631 1.00 54.43 N ATOM 687 CA HIS A 48 6.723 -3.623 7.588 1.00 41.54 C ATOM 688 C HIS A 48 6.385 -3.163 6.137 1.00 0.20 C ATOM 689 O HIS A 48 7.081 -2.334 5.545 1.00 1.24 O ATOM 690 CB HIS A 48 7.481 -2.506 8.380 1.00 62.21 C ATOM 691 CG HIS A 48 7.536 -2.719 9.871 1.00 40.22 C ATOM 692 ND1 HIS A 48 7.585 -1.684 10.783 1.00 10.45 N ATOM 693 CD2 HIS A 48 7.553 -3.852 10.605 1.00 61.44 C ATOM 694 CE1 HIS A 48 7.632 -2.172 12.002 1.00 73.44 C ATOM 695 NE2 HIS A 48 7.613 -3.485 11.924 1.00 12.14 N ATOM 0 H HIS A 48 6.990 -5.629 8.178 1.00 54.43 H new ATOM 0 HA HIS A 48 5.767 -3.801 8.081 1.00 41.54 H new ATOM 0 HB2 HIS A 48 8.500 -2.437 7.999 1.00 62.21 H new ATOM 0 HB3 HIS A 48 7.000 -1.548 8.181 1.00 62.21 H new ATOM 0 HD2 HIS A 48 7.525 -4.862 10.223 1.00 61.44 H new ATOM 0 HE1 HIS A 48 7.678 -1.594 12.913 1.00 73.44 H new ATOM 0 HE2 HIS A 48 7.639 -4.126 12.717 1.00 12.14 H new ATOM 704 N HIS A 49 5.339 -3.764 5.567 1.00 4.31 N ATOM 705 CA HIS A 49 4.796 -3.402 4.241 1.00 44.33 C ATOM 706 C HIS A 49 3.637 -2.394 4.411 1.00 25.43 C ATOM 707 O HIS A 49 2.572 -2.752 4.937 1.00 1.13 O ATOM 708 CB HIS A 49 4.307 -4.684 3.514 1.00 12.21 C ATOM 709 CG HIS A 49 3.952 -4.505 2.052 1.00 72.04 C ATOM 710 ND1 HIS A 49 4.843 -4.830 1.057 1.00 51.54 N ATOM 711 CD2 HIS A 49 2.802 -4.062 1.476 1.00 73.02 C ATOM 712 CE1 HIS A 49 4.226 -4.581 -0.085 1.00 45.15 C ATOM 713 NE2 HIS A 49 2.989 -4.114 0.119 1.00 34.03 N ATOM 0 H HIS A 49 4.832 -4.528 6.014 1.00 4.31 H new ATOM 0 HA HIS A 49 5.575 -2.935 3.639 1.00 44.33 H new ATOM 0 HB2 HIS A 49 5.084 -5.444 3.591 1.00 12.21 H new ATOM 0 HB3 HIS A 49 3.432 -5.068 4.039 1.00 12.21 H new ATOM 0 HD2 HIS A 49 1.911 -3.732 1.990 1.00 73.02 H new ATOM 0 HE1 HIS A 49 4.665 -4.735 -1.060 1.00 45.15 H new ATOM 0 HE2 HIS A 49 2.314 -3.848 -0.598 1.00 34.03 H new ATOM 721 N LYS A 50 3.856 -1.124 4.012 1.00 41.24 N ATOM 722 CA LYS A 50 2.799 -0.087 4.057 1.00 5.12 C ATOM 723 C LYS A 50 2.523 0.515 2.638 1.00 24.14 C ATOM 724 O LYS A 50 3.453 0.727 1.867 1.00 25.52 O ATOM 725 CB LYS A 50 3.153 1.014 5.100 1.00 52.32 C ATOM 726 CG LYS A 50 4.356 1.925 4.762 1.00 24.13 C ATOM 727 CD LYS A 50 4.621 2.979 5.869 1.00 32.02 C ATOM 728 CE LYS A 50 5.770 3.941 5.526 1.00 0.35 C ATOM 729 NZ LYS A 50 5.476 4.792 4.344 1.00 33.55 N ATOM 0 H LYS A 50 4.752 -0.791 3.656 1.00 41.24 H new ATOM 0 HA LYS A 50 1.872 -0.561 4.380 1.00 5.12 H new ATOM 0 HB2 LYS A 50 2.276 1.646 5.240 1.00 52.32 H new ATOM 0 HB3 LYS A 50 3.351 0.528 6.055 1.00 52.32 H new ATOM 0 HG2 LYS A 50 5.247 1.312 4.625 1.00 24.13 H new ATOM 0 HG3 LYS A 50 4.170 2.433 3.816 1.00 24.13 H new ATOM 0 HD2 LYS A 50 3.711 3.555 6.038 1.00 32.02 H new ATOM 0 HD3 LYS A 50 4.852 2.466 6.803 1.00 32.02 H new ATOM 0 HE2 LYS A 50 5.972 4.579 6.386 1.00 0.35 H new ATOM 0 HE3 LYS A 50 6.676 3.365 5.337 1.00 0.35 H new ATOM 0 HZ1 LYS A 50 6.246 5.478 4.210 1.00 33.55 H new ATOM 0 HZ2 LYS A 50 5.393 4.194 3.497 1.00 33.55 H new ATOM 0 HZ3 LYS A 50 4.582 5.301 4.497 1.00 33.55 H new ATOM 743 N TRP A 51 1.242 0.784 2.271 1.00 42.43 N ATOM 744 CA TRP A 51 0.047 0.596 3.138 1.00 74.32 C ATOM 745 C TRP A 51 -0.943 -0.438 2.562 1.00 2.52 C ATOM 746 O TRP A 51 -0.970 -0.733 1.360 1.00 72.55 O ATOM 747 CB TRP A 51 -0.702 1.942 3.366 1.00 64.41 C ATOM 748 CG TRP A 51 0.130 3.010 4.031 1.00 61.51 C ATOM 749 CD1 TRP A 51 0.971 3.883 3.416 1.00 73.32 C ATOM 750 CD2 TRP A 51 0.199 3.316 5.435 1.00 53.14 C ATOM 751 NE1 TRP A 51 1.555 4.708 4.338 1.00 65.31 N ATOM 752 CE2 TRP A 51 1.093 4.390 5.581 1.00 72.32 C ATOM 753 CE3 TRP A 51 -0.419 2.797 6.577 1.00 2.10 C ATOM 754 CZ2 TRP A 51 1.399 4.941 6.821 1.00 44.51 C ATOM 755 CZ3 TRP A 51 -0.119 3.345 7.808 1.00 0.11 C ATOM 756 CH2 TRP A 51 0.777 4.417 7.920 1.00 65.24 C ATOM 0 H TRP A 51 1.006 1.145 1.346 1.00 42.43 H new ATOM 0 HA TRP A 51 0.423 0.219 4.089 1.00 74.32 H new ATOM 0 HB2 TRP A 51 -1.052 2.317 2.404 1.00 64.41 H new ATOM 0 HB3 TRP A 51 -1.586 1.754 3.976 1.00 64.41 H new ATOM 0 HD1 TRP A 51 1.152 3.920 2.352 1.00 73.32 H new ATOM 0 HE1 TRP A 51 2.229 5.444 4.129 1.00 65.31 H new ATOM 0 HE3 TRP A 51 -1.120 1.980 6.497 1.00 2.10 H new ATOM 0 HZ2 TRP A 51 2.103 5.754 6.912 1.00 44.51 H new ATOM 0 HZ3 TRP A 51 -0.581 2.942 8.697 1.00 0.11 H new ATOM 0 HH2 TRP A 51 0.980 4.837 8.894 1.00 65.24 H new ATOM 767 N VAL A 52 -1.752 -0.959 3.483 1.00 22.25 N ATOM 768 CA VAL A 52 -2.954 -1.763 3.200 1.00 24.21 C ATOM 769 C VAL A 52 -4.097 -1.186 4.051 1.00 71.34 C ATOM 770 O VAL A 52 -3.867 -0.744 5.174 1.00 2.44 O ATOM 771 CB VAL A 52 -2.762 -3.307 3.506 1.00 2.54 C ATOM 772 CG1 VAL A 52 -1.702 -3.953 2.577 1.00 72.41 C ATOM 773 CG2 VAL A 52 -2.416 -3.566 4.998 1.00 32.42 C ATOM 0 H VAL A 52 -1.589 -0.833 4.482 1.00 22.25 H new ATOM 0 HA VAL A 52 -3.174 -1.703 2.134 1.00 24.21 H new ATOM 0 HB VAL A 52 -3.721 -3.783 3.300 1.00 2.54 H new ATOM 0 HG11 VAL A 52 -1.601 -5.011 2.820 1.00 72.41 H new ATOM 0 HG12 VAL A 52 -2.016 -3.848 1.538 1.00 72.41 H new ATOM 0 HG13 VAL A 52 -0.743 -3.455 2.718 1.00 72.41 H new ATOM 0 HG21 VAL A 52 -2.293 -4.637 5.163 1.00 32.42 H new ATOM 0 HG22 VAL A 52 -1.489 -3.051 5.251 1.00 32.42 H new ATOM 0 HG23 VAL A 52 -3.223 -3.192 5.629 1.00 32.42 H new ATOM 783 N ILE A 53 -5.323 -1.167 3.529 1.00 72.30 N ATOM 784 CA ILE A 53 -6.483 -0.633 4.275 1.00 15.35 C ATOM 785 C ILE A 53 -7.385 -1.796 4.734 1.00 4.14 C ATOM 786 O ILE A 53 -7.077 -2.973 4.486 1.00 62.35 O ATOM 787 CB ILE A 53 -7.305 0.443 3.452 1.00 15.30 C ATOM 788 CG1 ILE A 53 -8.038 -0.188 2.218 1.00 51.13 C ATOM 789 CG2 ILE A 53 -6.381 1.611 3.017 1.00 11.53 C ATOM 790 CD1 ILE A 53 -8.921 0.770 1.429 1.00 3.22 C ATOM 0 H ILE A 53 -5.548 -1.512 2.596 1.00 72.30 H new ATOM 0 HA ILE A 53 -6.098 -0.108 5.149 1.00 15.35 H new ATOM 0 HB ILE A 53 -8.080 0.837 4.109 1.00 15.30 H new ATOM 0 HG12 ILE A 53 -7.289 -0.605 1.545 1.00 51.13 H new ATOM 0 HG13 ILE A 53 -8.651 -1.019 2.566 1.00 51.13 H new ATOM 0 HG21 ILE A 53 -6.960 2.342 2.453 1.00 11.53 H new ATOM 0 HG22 ILE A 53 -5.957 2.088 3.901 1.00 11.53 H new ATOM 0 HG23 ILE A 53 -5.576 1.225 2.392 1.00 11.53 H new ATOM 0 HD11 ILE A 53 -9.383 0.238 0.597 1.00 3.22 H new ATOM 0 HD12 ILE A 53 -9.698 1.169 2.081 1.00 3.22 H new ATOM 0 HD13 ILE A 53 -8.315 1.590 1.044 1.00 3.22 H new ATOM 802 N GLN A 54 -8.475 -1.450 5.434 1.00 21.24 N ATOM 803 CA GLN A 54 -9.479 -2.413 5.941 1.00 61.22 C ATOM 804 C GLN A 54 -9.959 -3.430 4.852 1.00 64.51 C ATOM 805 O GLN A 54 -10.208 -4.602 5.155 1.00 41.12 O ATOM 806 CB GLN A 54 -10.669 -1.607 6.534 1.00 52.14 C ATOM 807 CG GLN A 54 -11.689 -2.426 7.344 1.00 23.42 C ATOM 808 CD GLN A 54 -12.817 -1.580 7.947 1.00 13.04 C ATOM 809 OE1 GLN A 54 -13.249 -0.587 7.370 1.00 53.55 O ATOM 810 NE2 GLN A 54 -13.290 -1.950 9.121 1.00 43.14 N ATOM 0 H GLN A 54 -8.692 -0.482 5.670 1.00 21.24 H new ATOM 0 HA GLN A 54 -9.015 -3.025 6.715 1.00 61.22 H new ATOM 0 HB2 GLN A 54 -10.269 -0.822 7.176 1.00 52.14 H new ATOM 0 HB3 GLN A 54 -11.194 -1.114 5.716 1.00 52.14 H new ATOM 0 HG2 GLN A 54 -12.124 -3.189 6.699 1.00 23.42 H new ATOM 0 HG3 GLN A 54 -11.168 -2.947 8.147 1.00 23.42 H new ATOM 0 HE21 GLN A 54 -12.916 -2.779 9.583 1.00 43.14 H new ATOM 0 HE22 GLN A 54 -14.030 -1.407 9.567 1.00 43.14 H new ATOM 819 N GLU A 55 -10.034 -2.978 3.580 1.00 34.11 N ATOM 820 CA GLU A 55 -10.566 -3.777 2.440 1.00 21.52 C ATOM 821 C GLU A 55 -9.639 -4.969 2.027 1.00 61.45 C ATOM 822 O GLU A 55 -10.116 -5.959 1.463 1.00 15.41 O ATOM 823 CB GLU A 55 -10.787 -2.825 1.226 1.00 52.21 C ATOM 824 CG GLU A 55 -11.619 -3.410 0.063 1.00 52.21 C ATOM 825 CD GLU A 55 -11.695 -2.476 -1.162 1.00 52.32 C ATOM 826 OE1 GLU A 55 -12.430 -1.459 -1.104 1.00 62.25 O ATOM 827 OE2 GLU A 55 -11.023 -2.754 -2.187 1.00 74.14 O ATOM 0 H GLU A 55 -9.727 -2.044 3.308 1.00 34.11 H new ATOM 0 HA GLU A 55 -11.505 -4.226 2.763 1.00 21.52 H new ATOM 0 HB2 GLU A 55 -11.279 -1.920 1.582 1.00 52.21 H new ATOM 0 HB3 GLU A 55 -9.813 -2.527 0.838 1.00 52.21 H new ATOM 0 HG2 GLU A 55 -11.186 -4.363 -0.241 1.00 52.21 H new ATOM 0 HG3 GLU A 55 -12.629 -3.618 0.416 1.00 52.21 H new ATOM 834 N GLU A 56 -8.328 -4.885 2.333 1.00 24.13 N ATOM 835 CA GLU A 56 -7.328 -5.920 1.916 1.00 30.10 C ATOM 836 C GLU A 56 -7.325 -7.153 2.851 1.00 4.24 C ATOM 837 O GLU A 56 -6.699 -8.171 2.537 1.00 60.43 O ATOM 838 CB GLU A 56 -5.886 -5.305 1.862 1.00 41.13 C ATOM 839 CG GLU A 56 -5.536 -4.541 0.565 1.00 73.31 C ATOM 840 CD GLU A 56 -6.374 -3.281 0.329 1.00 25.00 C ATOM 841 OE1 GLU A 56 -5.958 -2.213 0.779 1.00 61.15 O ATOM 842 OE2 GLU A 56 -7.445 -3.358 -0.320 1.00 63.35 O ATOM 0 H GLU A 56 -7.926 -4.115 2.867 1.00 24.13 H new ATOM 0 HA GLU A 56 -7.625 -6.255 0.922 1.00 30.10 H new ATOM 0 HB2 GLU A 56 -5.768 -4.626 2.706 1.00 41.13 H new ATOM 0 HB3 GLU A 56 -5.162 -6.109 1.996 1.00 41.13 H new ATOM 0 HG2 GLU A 56 -4.483 -4.262 0.595 1.00 73.31 H new ATOM 0 HG3 GLU A 56 -5.664 -5.213 -0.284 1.00 73.31 H new ATOM 849 N ILE A 57 -8.017 -7.049 3.995 1.00 44.43 N ATOM 850 CA ILE A 57 -7.935 -8.039 5.089 1.00 62.23 C ATOM 851 C ILE A 57 -9.276 -8.805 5.277 1.00 63.00 C ATOM 852 O ILE A 57 -10.351 -8.198 5.298 1.00 54.44 O ATOM 853 CB ILE A 57 -7.509 -7.301 6.419 1.00 11.12 C ATOM 854 CG1 ILE A 57 -6.106 -6.615 6.217 1.00 62.42 C ATOM 855 CG2 ILE A 57 -7.499 -8.270 7.624 1.00 20.44 C ATOM 856 CD1 ILE A 57 -5.602 -5.766 7.373 1.00 23.43 C ATOM 0 H ILE A 57 -8.652 -6.276 4.192 1.00 44.43 H new ATOM 0 HA ILE A 57 -7.184 -8.786 4.831 1.00 62.23 H new ATOM 0 HB ILE A 57 -8.245 -6.529 6.643 1.00 11.12 H new ATOM 0 HG12 ILE A 57 -5.370 -7.393 6.017 1.00 62.42 H new ATOM 0 HG13 ILE A 57 -6.156 -5.987 5.327 1.00 62.42 H new ATOM 0 HG21 ILE A 57 -7.202 -7.730 8.523 1.00 20.44 H new ATOM 0 HG22 ILE A 57 -8.496 -8.686 7.764 1.00 20.44 H new ATOM 0 HG23 ILE A 57 -6.792 -9.078 7.435 1.00 20.44 H new ATOM 0 HD11 ILE A 57 -4.629 -5.346 7.119 1.00 23.43 H new ATOM 0 HD12 ILE A 57 -6.307 -4.957 7.565 1.00 23.43 H new ATOM 0 HD13 ILE A 57 -5.508 -6.385 8.265 1.00 23.43 H new ATOM 868 N LYS A 58 -9.178 -10.145 5.416 1.00 42.21 N ATOM 869 CA LYS A 58 -10.337 -11.043 5.647 1.00 51.43 C ATOM 870 C LYS A 58 -10.974 -10.820 7.037 1.00 4.22 C ATOM 871 O LYS A 58 -12.200 -10.721 7.172 1.00 73.55 O ATOM 872 CB LYS A 58 -9.883 -12.525 5.509 1.00 0.45 C ATOM 873 CG LYS A 58 -11.020 -13.564 5.646 1.00 42.42 C ATOM 874 CD LYS A 58 -10.560 -15.021 5.388 1.00 63.52 C ATOM 875 CE LYS A 58 -10.058 -15.257 3.950 1.00 15.35 C ATOM 876 NZ LYS A 58 -9.770 -16.692 3.689 1.00 41.34 N ATOM 0 H LYS A 58 -8.287 -10.640 5.371 1.00 42.21 H new ATOM 0 HA LYS A 58 -11.093 -10.811 4.897 1.00 51.43 H new ATOM 0 HB2 LYS A 58 -9.405 -12.655 4.538 1.00 0.45 H new ATOM 0 HB3 LYS A 58 -9.127 -12.731 6.267 1.00 0.45 H new ATOM 0 HG2 LYS A 58 -11.444 -13.497 6.648 1.00 42.42 H new ATOM 0 HG3 LYS A 58 -11.817 -13.313 4.946 1.00 42.42 H new ATOM 0 HD2 LYS A 58 -9.764 -15.273 6.089 1.00 63.52 H new ATOM 0 HD3 LYS A 58 -11.390 -15.698 5.591 1.00 63.52 H new ATOM 0 HE2 LYS A 58 -10.807 -14.903 3.242 1.00 15.35 H new ATOM 0 HE3 LYS A 58 -9.156 -14.669 3.780 1.00 15.35 H new ATOM 0 HZ1 LYS A 58 -9.435 -16.807 2.711 1.00 41.34 H new ATOM 0 HZ2 LYS A 58 -9.037 -17.024 4.347 1.00 41.34 H new ATOM 0 HZ3 LYS A 58 -10.637 -17.250 3.826 1.00 41.34 H new ATOM 890 N ASP A 59 -10.112 -10.746 8.063 1.00 3.02 N ATOM 891 CA ASP A 59 -10.525 -10.601 9.476 1.00 2.52 C ATOM 892 C ASP A 59 -11.288 -9.270 9.745 1.00 0.32 C ATOM 893 O ASP A 59 -12.060 -9.197 10.707 1.00 55.23 O ATOM 894 CB ASP A 59 -9.264 -10.712 10.375 1.00 53.50 C ATOM 895 CG ASP A 59 -9.572 -10.676 11.890 1.00 73.33 C ATOM 896 OD1 ASP A 59 -9.913 -11.732 12.460 1.00 51.21 O ATOM 897 OD2 ASP A 59 -9.495 -9.587 12.512 1.00 74.30 O ATOM 0 H ASP A 59 -9.100 -10.785 7.939 1.00 3.02 H new ATOM 0 HA ASP A 59 -11.227 -11.400 9.713 1.00 2.52 H new ATOM 0 HB2 ASP A 59 -8.744 -11.641 10.142 1.00 53.50 H new ATOM 0 HB3 ASP A 59 -8.584 -9.896 10.133 1.00 53.50 H new ATOM 902 N ALA A 60 -11.075 -8.259 8.860 1.00 11.11 N ATOM 903 CA ALA A 60 -11.557 -6.857 9.015 1.00 41.25 C ATOM 904 C ALA A 60 -12.951 -6.704 9.689 1.00 24.33 C ATOM 905 O ALA A 60 -13.063 -5.995 10.680 1.00 23.55 O ATOM 906 CB ALA A 60 -11.545 -6.155 7.650 1.00 50.34 C ATOM 0 H ALA A 60 -10.550 -8.399 7.997 1.00 11.11 H new ATOM 0 HA ALA A 60 -10.860 -6.382 9.706 1.00 41.25 H new ATOM 0 HB1 ALA A 60 -11.898 -5.130 7.765 1.00 50.34 H new ATOM 0 HB2 ALA A 60 -10.530 -6.147 7.254 1.00 50.34 H new ATOM 0 HB3 ALA A 60 -12.199 -6.689 6.961 1.00 50.34 H new ATOM 912 N GLY A 61 -14.005 -7.330 9.120 1.00 63.33 N ATOM 913 CA GLY A 61 -15.328 -7.422 9.791 1.00 1.30 C ATOM 914 C GLY A 61 -16.075 -6.091 9.995 1.00 13.33 C ATOM 915 O GLY A 61 -16.961 -6.014 10.857 1.00 75.11 O ATOM 0 H GLY A 61 -13.970 -7.777 8.204 1.00 63.33 H new ATOM 0 HA2 GLY A 61 -15.964 -8.087 9.207 1.00 1.30 H new ATOM 0 HA3 GLY A 61 -15.187 -7.890 10.765 1.00 1.30 H new ATOM 919 N ASP A 62 -15.693 -5.053 9.222 1.00 75.34 N ATOM 920 CA ASP A 62 -16.183 -3.650 9.370 1.00 53.31 C ATOM 921 C ASP A 62 -15.811 -3.035 10.768 1.00 33.12 C ATOM 922 O ASP A 62 -16.327 -1.987 11.163 1.00 43.14 O ATOM 923 CB ASP A 62 -17.714 -3.556 9.056 1.00 51.13 C ATOM 924 CG ASP A 62 -18.217 -2.111 8.835 1.00 74.13 C ATOM 925 OD1 ASP A 62 -17.836 -1.495 7.814 1.00 71.42 O ATOM 926 OD2 ASP A 62 -18.979 -1.581 9.676 1.00 52.14 O ATOM 0 H ASP A 62 -15.023 -5.160 8.461 1.00 75.34 H new ATOM 0 HA ASP A 62 -15.665 -3.038 8.631 1.00 53.31 H new ATOM 0 HB2 ASP A 62 -17.930 -4.146 8.165 1.00 51.13 H new ATOM 0 HB3 ASP A 62 -18.272 -4.004 9.878 1.00 51.13 H new ATOM 931 N LYS A 63 -14.864 -3.676 11.480 1.00 4.30 N ATOM 932 CA LYS A 63 -14.329 -3.183 12.776 1.00 22.43 C ATOM 933 C LYS A 63 -12.889 -2.653 12.580 1.00 40.24 C ATOM 934 O LYS A 63 -12.213 -3.002 11.593 1.00 20.02 O ATOM 935 CB LYS A 63 -14.366 -4.321 13.855 1.00 53.41 C ATOM 936 CG LYS A 63 -13.255 -5.393 13.719 1.00 50.24 C ATOM 937 CD LYS A 63 -13.464 -6.628 14.626 1.00 24.53 C ATOM 938 CE LYS A 63 -12.286 -7.623 14.560 1.00 42.44 C ATOM 939 NZ LYS A 63 -12.033 -8.133 13.185 1.00 24.44 N ATOM 0 H LYS A 63 -14.443 -4.554 11.176 1.00 4.30 H new ATOM 0 HA LYS A 63 -14.956 -2.365 13.132 1.00 22.43 H new ATOM 0 HB2 LYS A 63 -14.291 -3.866 14.843 1.00 53.41 H new ATOM 0 HB3 LYS A 63 -15.336 -4.817 13.805 1.00 53.41 H new ATOM 0 HG2 LYS A 63 -13.205 -5.721 12.681 1.00 50.24 H new ATOM 0 HG3 LYS A 63 -12.293 -4.938 13.956 1.00 50.24 H new ATOM 0 HD2 LYS A 63 -13.598 -6.298 15.656 1.00 24.53 H new ATOM 0 HD3 LYS A 63 -14.382 -7.138 14.332 1.00 24.53 H new ATOM 0 HE2 LYS A 63 -11.385 -7.136 14.933 1.00 42.44 H new ATOM 0 HE3 LYS A 63 -12.491 -8.464 15.222 1.00 42.44 H new ATOM 0 HZ1 LYS A 63 -11.211 -8.770 13.197 1.00 24.44 H new ATOM 0 HZ2 LYS A 63 -12.869 -8.653 12.848 1.00 24.44 H new ATOM 0 HZ3 LYS A 63 -11.843 -7.333 12.548 1.00 24.44 H new ATOM 953 N THR A 64 -12.419 -1.817 13.518 1.00 21.14 N ATOM 954 CA THR A 64 -11.023 -1.322 13.517 1.00 20.13 C ATOM 955 C THR A 64 -10.072 -2.422 14.031 1.00 50.40 C ATOM 956 O THR A 64 -10.336 -3.041 15.068 1.00 5.22 O ATOM 957 CB THR A 64 -10.843 -0.036 14.405 1.00 24.41 C ATOM 958 OG1 THR A 64 -11.303 -0.283 15.748 1.00 62.44 O ATOM 959 CG2 THR A 64 -11.586 1.181 13.829 1.00 12.05 C ATOM 0 H THR A 64 -12.983 -1.465 14.292 1.00 21.14 H new ATOM 0 HA THR A 64 -10.781 -1.058 12.487 1.00 20.13 H new ATOM 0 HB THR A 64 -9.777 0.194 14.413 1.00 24.41 H new ATOM 0 HG1 THR A 64 -11.183 0.525 16.289 1.00 62.44 H new ATOM 0 HG21 THR A 64 -11.431 2.043 14.478 1.00 12.05 H new ATOM 0 HG22 THR A 64 -11.203 1.403 12.833 1.00 12.05 H new ATOM 0 HG23 THR A 64 -12.652 0.961 13.767 1.00 12.05 H new ATOM 967 N LEU A 65 -9.016 -2.710 13.262 1.00 3.32 N ATOM 968 CA LEU A 65 -7.911 -3.578 13.715 1.00 52.40 C ATOM 969 C LEU A 65 -6.844 -2.726 14.446 1.00 52.12 C ATOM 970 O LEU A 65 -6.488 -1.636 13.986 1.00 62.32 O ATOM 971 CB LEU A 65 -7.309 -4.333 12.502 1.00 22.24 C ATOM 972 CG LEU A 65 -8.352 -5.069 11.591 1.00 1.13 C ATOM 973 CD1 LEU A 65 -7.683 -5.670 10.346 1.00 65.20 C ATOM 974 CD2 LEU A 65 -9.145 -6.145 12.376 1.00 41.41 C ATOM 0 H LEU A 65 -8.899 -2.353 12.314 1.00 3.32 H new ATOM 0 HA LEU A 65 -8.286 -4.321 14.419 1.00 52.40 H new ATOM 0 HB2 LEU A 65 -6.754 -3.622 11.890 1.00 22.24 H new ATOM 0 HB3 LEU A 65 -6.591 -5.066 12.870 1.00 22.24 H new ATOM 0 HG LEU A 65 -9.068 -4.320 11.255 1.00 1.13 H new ATOM 0 HD11 LEU A 65 -8.434 -6.173 9.736 1.00 65.20 H new ATOM 0 HD12 LEU A 65 -7.216 -4.875 9.764 1.00 65.20 H new ATOM 0 HD13 LEU A 65 -6.924 -6.389 10.652 1.00 65.20 H new ATOM 0 HD21 LEU A 65 -9.857 -6.631 11.709 1.00 41.41 H new ATOM 0 HD22 LEU A 65 -8.454 -6.888 12.774 1.00 41.41 H new ATOM 0 HD23 LEU A 65 -9.683 -5.673 13.198 1.00 41.41 H new ATOM 986 N GLN A 66 -6.346 -3.236 15.581 1.00 21.53 N ATOM 987 CA GLN A 66 -5.425 -2.494 16.481 1.00 71.12 C ATOM 988 C GLN A 66 -3.974 -3.039 16.349 1.00 33.14 C ATOM 989 O GLN A 66 -3.785 -4.201 15.966 1.00 65.42 O ATOM 990 CB GLN A 66 -5.908 -2.597 17.966 1.00 72.42 C ATOM 991 CG GLN A 66 -7.285 -1.948 18.287 1.00 42.35 C ATOM 992 CD GLN A 66 -8.509 -2.748 17.820 1.00 62.32 C ATOM 993 OE1 GLN A 66 -8.477 -3.968 17.702 1.00 1.04 O ATOM 994 NE2 GLN A 66 -9.617 -2.071 17.596 1.00 15.10 N ATOM 0 H GLN A 66 -6.565 -4.176 15.910 1.00 21.53 H new ATOM 0 HA GLN A 66 -5.430 -1.445 16.185 1.00 71.12 H new ATOM 0 HB2 GLN A 66 -5.954 -3.651 18.239 1.00 72.42 H new ATOM 0 HB3 GLN A 66 -5.155 -2.135 18.604 1.00 72.42 H new ATOM 0 HG2 GLN A 66 -7.357 -1.801 19.365 1.00 42.35 H new ATOM 0 HG3 GLN A 66 -7.319 -0.960 17.827 1.00 42.35 H new ATOM 0 HE21 GLN A 66 -9.624 -1.056 17.699 1.00 15.10 H new ATOM 0 HE22 GLN A 66 -10.467 -2.562 17.319 1.00 15.10 H new ATOM 1003 N PRO A 67 -2.914 -2.198 16.633 1.00 72.40 N ATOM 1004 CA PRO A 67 -1.507 -2.682 16.717 1.00 5.35 C ATOM 1005 C PRO A 67 -1.337 -3.839 17.746 1.00 21.01 C ATOM 1006 O PRO A 67 -1.774 -3.726 18.893 1.00 71.41 O ATOM 1007 CB PRO A 67 -0.714 -1.412 17.144 1.00 55.21 C ATOM 1008 CG PRO A 67 -1.559 -0.268 16.668 1.00 14.11 C ATOM 1009 CD PRO A 67 -2.993 -0.724 16.840 1.00 75.32 C ATOM 0 HA PRO A 67 -1.158 -3.108 15.776 1.00 5.35 H new ATOM 0 HB2 PRO A 67 -0.570 -1.378 18.224 1.00 55.21 H new ATOM 0 HB3 PRO A 67 0.277 -1.390 16.690 1.00 55.21 H new ATOM 0 HG2 PRO A 67 -1.362 0.633 17.248 1.00 14.11 H new ATOM 0 HG3 PRO A 67 -1.345 -0.030 15.626 1.00 14.11 H new ATOM 0 HD2 PRO A 67 -3.377 -0.477 17.830 1.00 75.32 H new ATOM 0 HD3 PRO A 67 -3.655 -0.251 16.114 1.00 75.32 H new ATOM 1017 N GLY A 68 -0.683 -4.930 17.318 1.00 0.32 N ATOM 1018 CA GLY A 68 -0.534 -6.150 18.140 1.00 35.31 C ATOM 1019 C GLY A 68 -1.404 -7.326 17.675 1.00 43.23 C ATOM 1020 O GLY A 68 -1.108 -8.483 18.000 1.00 2.12 O ATOM 0 H GLY A 68 -0.244 -4.996 16.400 1.00 0.32 H new ATOM 0 HA2 GLY A 68 0.512 -6.458 18.129 1.00 35.31 H new ATOM 0 HA3 GLY A 68 -0.785 -5.912 19.174 1.00 35.31 H new ATOM 1024 N ASP A 69 -2.498 -7.033 16.939 1.00 64.43 N ATOM 1025 CA ASP A 69 -3.385 -8.080 16.372 1.00 24.32 C ATOM 1026 C ASP A 69 -2.737 -8.810 15.181 1.00 11.22 C ATOM 1027 O ASP A 69 -1.844 -8.277 14.514 1.00 55.12 O ATOM 1028 CB ASP A 69 -4.753 -7.484 15.941 1.00 55.23 C ATOM 1029 CG ASP A 69 -5.608 -7.036 17.133 1.00 3.12 C ATOM 1030 OD1 ASP A 69 -5.849 -7.863 18.041 1.00 52.14 O ATOM 1031 OD2 ASP A 69 -6.046 -5.872 17.177 1.00 65.43 O ATOM 0 H ASP A 69 -2.791 -6.080 16.722 1.00 64.43 H new ATOM 0 HA ASP A 69 -3.548 -8.809 17.166 1.00 24.32 H new ATOM 0 HB2 ASP A 69 -4.582 -6.633 15.282 1.00 55.23 H new ATOM 0 HB3 ASP A 69 -5.303 -8.228 15.364 1.00 55.23 H new ATOM 1036 N GLN A 70 -3.221 -10.036 14.919 1.00 70.23 N ATOM 1037 CA GLN A 70 -2.778 -10.853 13.775 1.00 61.35 C ATOM 1038 C GLN A 70 -4.005 -11.283 12.933 1.00 13.33 C ATOM 1039 O GLN A 70 -5.025 -11.733 13.465 1.00 1.44 O ATOM 1040 CB GLN A 70 -1.955 -12.079 14.256 1.00 45.13 C ATOM 1041 CG GLN A 70 -1.208 -12.827 13.132 1.00 44.42 C ATOM 1042 CD GLN A 70 -0.375 -14.018 13.626 1.00 21.12 C ATOM 1043 OE1 GLN A 70 -0.711 -14.670 14.612 1.00 62.44 O ATOM 1044 NE2 GLN A 70 0.709 -14.318 12.939 1.00 21.51 N ATOM 0 H GLN A 70 -3.931 -10.489 15.494 1.00 70.23 H new ATOM 0 HA GLN A 70 -2.122 -10.255 13.143 1.00 61.35 H new ATOM 0 HB2 GLN A 70 -1.230 -11.746 14.998 1.00 45.13 H new ATOM 0 HB3 GLN A 70 -2.626 -12.777 14.757 1.00 45.13 H new ATOM 0 HG2 GLN A 70 -1.934 -13.182 12.400 1.00 44.42 H new ATOM 0 HG3 GLN A 70 -0.552 -12.126 12.616 1.00 44.42 H new ATOM 0 HE21 GLN A 70 0.967 -13.761 12.124 1.00 21.51 H new ATOM 0 HE22 GLN A 70 1.290 -15.107 13.222 1.00 21.51 H new ATOM 1053 N VAL A 71 -3.856 -11.161 11.610 1.00 54.45 N ATOM 1054 CA VAL A 71 -4.946 -11.251 10.612 1.00 75.02 C ATOM 1055 C VAL A 71 -4.476 -12.062 9.368 1.00 33.23 C ATOM 1056 O VAL A 71 -3.351 -12.564 9.337 1.00 52.43 O ATOM 1057 CB VAL A 71 -5.407 -9.803 10.159 1.00 25.15 C ATOM 1058 CG1 VAL A 71 -5.990 -8.979 11.341 1.00 4.22 C ATOM 1059 CG2 VAL A 71 -4.250 -9.031 9.458 1.00 71.44 C ATOM 0 H VAL A 71 -2.946 -10.991 11.182 1.00 54.45 H new ATOM 0 HA VAL A 71 -5.790 -11.763 11.075 1.00 75.02 H new ATOM 0 HB VAL A 71 -6.209 -9.940 9.433 1.00 25.15 H new ATOM 0 HG11 VAL A 71 -6.292 -7.995 10.984 1.00 4.22 H new ATOM 0 HG12 VAL A 71 -6.856 -9.497 11.754 1.00 4.22 H new ATOM 0 HG13 VAL A 71 -5.231 -8.867 12.115 1.00 4.22 H new ATOM 0 HG21 VAL A 71 -4.600 -8.043 9.160 1.00 71.44 H new ATOM 0 HG22 VAL A 71 -3.412 -8.927 10.147 1.00 71.44 H new ATOM 0 HG23 VAL A 71 -3.927 -9.583 8.575 1.00 71.44 H new ATOM 1069 N ILE A 72 -5.355 -12.200 8.354 1.00 71.31 N ATOM 1070 CA ILE A 72 -4.997 -12.800 7.034 1.00 31.32 C ATOM 1071 C ILE A 72 -5.423 -11.853 5.880 1.00 13.01 C ATOM 1072 O ILE A 72 -6.482 -11.220 5.943 1.00 71.23 O ATOM 1073 CB ILE A 72 -5.648 -14.236 6.848 1.00 31.00 C ATOM 1074 CG1 ILE A 72 -5.079 -15.233 7.920 1.00 70.15 C ATOM 1075 CG2 ILE A 72 -5.441 -14.789 5.409 1.00 33.42 C ATOM 1076 CD1 ILE A 72 -5.598 -16.660 7.831 1.00 55.21 C ATOM 0 H ILE A 72 -6.329 -11.904 8.417 1.00 71.31 H new ATOM 0 HA ILE A 72 -3.915 -12.926 7.007 1.00 31.32 H new ATOM 0 HB ILE A 72 -6.723 -14.134 6.997 1.00 31.00 H new ATOM 0 HG12 ILE A 72 -3.993 -15.254 7.830 1.00 70.15 H new ATOM 0 HG13 ILE A 72 -5.309 -14.843 8.911 1.00 70.15 H new ATOM 0 HG21 ILE A 72 -5.903 -15.773 5.328 1.00 33.42 H new ATOM 0 HG22 ILE A 72 -5.901 -14.112 4.689 1.00 33.42 H new ATOM 0 HG23 ILE A 72 -4.374 -14.870 5.200 1.00 33.42 H new ATOM 0 HD11 ILE A 72 -5.141 -17.263 8.616 1.00 55.21 H new ATOM 0 HD12 ILE A 72 -6.681 -16.662 7.956 1.00 55.21 H new ATOM 0 HD13 ILE A 72 -5.344 -17.079 6.858 1.00 55.21 H new ATOM 1088 N LEU A 73 -4.568 -11.763 4.839 1.00 41.15 N ATOM 1089 CA LEU A 73 -4.782 -10.896 3.655 1.00 14.11 C ATOM 1090 C LEU A 73 -5.552 -11.642 2.531 1.00 31.14 C ATOM 1091 O LEU A 73 -5.197 -12.762 2.170 1.00 4.25 O ATOM 1092 CB LEU A 73 -3.401 -10.425 3.116 1.00 11.14 C ATOM 1093 CG LEU A 73 -2.498 -9.658 4.136 1.00 72.41 C ATOM 1094 CD1 LEU A 73 -1.078 -9.436 3.569 1.00 22.30 C ATOM 1095 CD2 LEU A 73 -3.147 -8.316 4.565 1.00 52.34 C ATOM 0 H LEU A 73 -3.699 -12.295 4.794 1.00 41.15 H new ATOM 0 HA LEU A 73 -5.384 -10.040 3.960 1.00 14.11 H new ATOM 0 HB2 LEU A 73 -2.854 -11.298 2.760 1.00 11.14 H new ATOM 0 HB3 LEU A 73 -3.569 -9.781 2.253 1.00 11.14 H new ATOM 0 HG LEU A 73 -2.406 -10.279 5.027 1.00 72.41 H new ATOM 0 HD11 LEU A 73 -0.474 -8.900 4.301 1.00 22.30 H new ATOM 0 HD12 LEU A 73 -0.617 -10.400 3.354 1.00 22.30 H new ATOM 0 HD13 LEU A 73 -1.140 -8.851 2.652 1.00 22.30 H new ATOM 0 HD21 LEU A 73 -2.495 -7.807 5.274 1.00 52.34 H new ATOM 0 HD22 LEU A 73 -3.292 -7.685 3.688 1.00 52.34 H new ATOM 0 HD23 LEU A 73 -4.111 -8.512 5.035 1.00 52.34 H new ATOM 1107 N GLU A 74 -6.619 -11.011 2.000 1.00 5.33 N ATOM 1108 CA GLU A 74 -7.323 -11.487 0.777 1.00 44.11 C ATOM 1109 C GLU A 74 -6.747 -10.855 -0.512 1.00 4.14 C ATOM 1110 O GLU A 74 -7.065 -11.300 -1.617 1.00 20.21 O ATOM 1111 CB GLU A 74 -8.848 -11.216 0.868 1.00 70.52 C ATOM 1112 CG GLU A 74 -9.557 -12.026 1.961 1.00 13.40 C ATOM 1113 CD GLU A 74 -11.094 -11.940 1.893 1.00 32.35 C ATOM 1114 OE1 GLU A 74 -11.673 -10.971 2.426 1.00 61.33 O ATOM 1115 OE2 GLU A 74 -11.727 -12.844 1.295 1.00 41.10 O ATOM 0 H GLU A 74 -7.020 -10.162 2.399 1.00 5.33 H new ATOM 0 HA GLU A 74 -7.159 -12.563 0.722 1.00 44.11 H new ATOM 0 HB2 GLU A 74 -9.008 -10.154 1.054 1.00 70.52 H new ATOM 0 HB3 GLU A 74 -9.306 -11.444 -0.095 1.00 70.52 H new ATOM 0 HG2 GLU A 74 -9.256 -13.071 1.881 1.00 13.40 H new ATOM 0 HG3 GLU A 74 -9.224 -11.673 2.937 1.00 13.40 H new ATOM 1122 N ALA A 75 -5.922 -9.806 -0.362 1.00 0.01 N ATOM 1123 CA ALA A 75 -5.223 -9.153 -1.494 1.00 31.21 C ATOM 1124 C ALA A 75 -3.782 -9.687 -1.643 1.00 35.22 C ATOM 1125 O ALA A 75 -3.212 -10.247 -0.695 1.00 34.15 O ATOM 1126 CB ALA A 75 -5.217 -7.632 -1.289 1.00 72.51 C ATOM 0 H ALA A 75 -5.717 -9.383 0.543 1.00 0.01 H new ATOM 0 HA ALA A 75 -5.758 -9.388 -2.414 1.00 31.21 H new ATOM 0 HB1 ALA A 75 -4.702 -7.155 -2.123 1.00 72.51 H new ATOM 0 HB2 ALA A 75 -6.243 -7.268 -1.239 1.00 72.51 H new ATOM 0 HB3 ALA A 75 -4.701 -7.392 -0.359 1.00 72.51 H new ATOM 1132 N SER A 76 -3.187 -9.492 -2.834 1.00 12.21 N ATOM 1133 CA SER A 76 -1.796 -9.911 -3.110 1.00 62.00 C ATOM 1134 C SER A 76 -1.080 -8.854 -3.950 1.00 42.22 C ATOM 1135 O SER A 76 -1.561 -8.473 -5.021 1.00 64.15 O ATOM 1136 CB SER A 76 -1.763 -11.256 -3.872 1.00 61.53 C ATOM 1137 OG SER A 76 -0.459 -11.806 -3.904 1.00 35.31 O ATOM 0 H SER A 76 -3.649 -9.045 -3.626 1.00 12.21 H new ATOM 0 HA SER A 76 -1.291 -10.029 -2.151 1.00 62.00 H new ATOM 0 HB2 SER A 76 -2.444 -11.961 -3.396 1.00 61.53 H new ATOM 0 HB3 SER A 76 -2.120 -11.106 -4.891 1.00 61.53 H new ATOM 0 HG SER A 76 -0.474 -12.656 -4.392 1.00 35.31 H new ATOM 1143 N HIS A 77 0.078 -8.383 -3.472 1.00 71.20 N ATOM 1144 CA HIS A 77 0.957 -7.467 -4.225 1.00 65.40 C ATOM 1145 C HIS A 77 2.294 -8.163 -4.586 1.00 61.21 C ATOM 1146 O HIS A 77 3.161 -7.558 -5.225 1.00 2.31 O ATOM 1147 CB HIS A 77 1.199 -6.179 -3.384 1.00 42.43 C ATOM 1148 CG HIS A 77 -0.078 -5.438 -3.026 1.00 32.34 C ATOM 1149 ND1 HIS A 77 -0.438 -4.269 -3.653 1.00 45.53 N ATOM 1150 CD2 HIS A 77 -1.033 -5.748 -2.110 1.00 64.25 C ATOM 1151 CE1 HIS A 77 -1.586 -3.902 -3.107 1.00 32.25 C ATOM 1152 NE2 HIS A 77 -1.983 -4.767 -2.171 1.00 74.04 N ATOM 0 H HIS A 77 0.437 -8.625 -2.549 1.00 71.20 H new ATOM 0 HA HIS A 77 0.473 -7.189 -5.161 1.00 65.40 H new ATOM 0 HB2 HIS A 77 1.723 -6.447 -2.467 1.00 42.43 H new ATOM 0 HB3 HIS A 77 1.854 -5.509 -3.941 1.00 42.43 H new ATOM 0 HD2 HIS A 77 -1.040 -6.608 -1.457 1.00 64.25 H new ATOM 0 HE1 HIS A 77 -2.134 -3.013 -3.384 1.00 32.25 H new ATOM 0 HE2 HIS A 77 -2.832 -4.707 -1.609 1.00 74.04 H new ATOM 1160 N MET A 78 2.433 -9.452 -4.185 1.00 73.25 N ATOM 1161 CA MET A 78 3.636 -10.279 -4.462 1.00 42.21 C ATOM 1162 C MET A 78 3.311 -11.796 -4.399 1.00 63.02 C ATOM 1163 O MET A 78 2.251 -12.193 -3.905 1.00 44.53 O ATOM 1164 CB MET A 78 4.781 -9.921 -3.470 1.00 43.44 C ATOM 1165 CG MET A 78 4.470 -10.176 -1.988 1.00 74.43 C ATOM 1166 SD MET A 78 5.801 -9.616 -0.903 1.00 54.21 S ATOM 1167 CE MET A 78 5.784 -7.840 -1.188 1.00 30.01 C ATOM 0 H MET A 78 1.713 -9.948 -3.660 1.00 73.25 H new ATOM 0 HA MET A 78 3.968 -10.056 -5.476 1.00 42.21 H new ATOM 0 HB2 MET A 78 5.667 -10.494 -3.742 1.00 43.44 H new ATOM 0 HB3 MET A 78 5.032 -8.868 -3.595 1.00 43.44 H new ATOM 0 HG2 MET A 78 3.546 -9.664 -1.720 1.00 74.43 H new ATOM 0 HG3 MET A 78 4.301 -11.242 -1.832 1.00 74.43 H new ATOM 0 HE1 MET A 78 6.263 -7.333 -0.351 1.00 30.01 H new ATOM 0 HE2 MET A 78 6.325 -7.614 -2.107 1.00 30.01 H new ATOM 0 HE3 MET A 78 4.754 -7.496 -1.279 1.00 30.01 H new ATOM 1177 N LYS A 79 4.250 -12.631 -4.887 1.00 40.03 N ATOM 1178 CA LYS A 79 4.089 -14.101 -4.974 1.00 43.34 C ATOM 1179 C LYS A 79 3.950 -14.755 -3.566 1.00 4.12 C ATOM 1180 O LYS A 79 4.937 -14.913 -2.838 1.00 64.21 O ATOM 1181 CB LYS A 79 5.299 -14.698 -5.757 1.00 11.22 C ATOM 1182 CG LYS A 79 5.246 -16.225 -6.000 1.00 13.43 C ATOM 1183 CD LYS A 79 6.496 -16.755 -6.750 1.00 12.25 C ATOM 1184 CE LYS A 79 6.428 -18.264 -7.045 1.00 21.42 C ATOM 1185 NZ LYS A 79 5.268 -18.616 -7.906 1.00 5.10 N ATOM 0 H LYS A 79 5.151 -12.303 -5.236 1.00 40.03 H new ATOM 0 HA LYS A 79 3.165 -14.322 -5.509 1.00 43.34 H new ATOM 0 HB2 LYS A 79 5.368 -14.196 -6.722 1.00 11.22 H new ATOM 0 HB3 LYS A 79 6.213 -14.466 -5.211 1.00 11.22 H new ATOM 0 HG2 LYS A 79 5.157 -16.738 -5.043 1.00 13.43 H new ATOM 0 HG3 LYS A 79 4.352 -16.466 -6.576 1.00 13.43 H new ATOM 0 HD2 LYS A 79 6.607 -16.212 -7.689 1.00 12.25 H new ATOM 0 HD3 LYS A 79 7.385 -16.547 -6.155 1.00 12.25 H new ATOM 0 HE2 LYS A 79 7.350 -18.579 -7.534 1.00 21.42 H new ATOM 0 HE3 LYS A 79 6.361 -18.813 -6.106 1.00 21.42 H new ATOM 0 HZ1 LYS A 79 5.346 -19.609 -8.204 1.00 5.10 H new ATOM 0 HZ2 LYS A 79 4.386 -18.483 -7.372 1.00 5.10 H new ATOM 0 HZ3 LYS A 79 5.260 -18.003 -8.746 1.00 5.10 H new ATOM 1199 N GLY A 80 2.701 -15.092 -3.187 1.00 5.04 N ATOM 1200 CA GLY A 80 2.405 -15.750 -1.900 1.00 40.52 C ATOM 1201 C GLY A 80 1.872 -14.799 -0.817 1.00 23.03 C ATOM 1202 O GLY A 80 1.994 -15.098 0.374 1.00 12.23 O ATOM 0 H GLY A 80 1.875 -14.917 -3.760 1.00 5.04 H new ATOM 0 HA2 GLY A 80 1.672 -16.539 -2.068 1.00 40.52 H new ATOM 0 HA3 GLY A 80 3.312 -16.230 -1.533 1.00 40.52 H new ATOM 1206 N MET A 81 1.269 -13.655 -1.225 1.00 31.21 N ATOM 1207 CA MET A 81 0.695 -12.658 -0.277 1.00 35.14 C ATOM 1208 C MET A 81 -0.820 -12.913 -0.021 1.00 62.24 C ATOM 1209 O MET A 81 -1.301 -12.747 1.110 1.00 14.42 O ATOM 1210 CB MET A 81 0.945 -11.214 -0.801 1.00 44.11 C ATOM 1211 CG MET A 81 0.474 -10.085 0.134 1.00 64.11 C ATOM 1212 SD MET A 81 0.897 -8.442 -0.487 1.00 74.32 S ATOM 1213 CE MET A 81 0.293 -7.361 0.815 1.00 24.51 C ATOM 0 H MET A 81 1.166 -13.396 -2.206 1.00 31.21 H new ATOM 0 HA MET A 81 1.201 -12.771 0.682 1.00 35.14 H new ATOM 0 HB2 MET A 81 2.013 -11.091 -0.983 1.00 44.11 H new ATOM 0 HB3 MET A 81 0.442 -11.101 -1.762 1.00 44.11 H new ATOM 0 HG2 MET A 81 -0.606 -10.153 0.263 1.00 64.11 H new ATOM 0 HG3 MET A 81 0.922 -10.223 1.118 1.00 64.11 H new ATOM 0 HE1 MET A 81 0.619 -6.339 0.620 1.00 24.51 H new ATOM 0 HE2 MET A 81 -0.796 -7.396 0.841 1.00 24.51 H new ATOM 0 HE3 MET A 81 0.690 -7.691 1.775 1.00 24.51 H new ATOM 1223 N LYS A 82 -1.576 -13.287 -1.081 1.00 42.52 N ATOM 1224 CA LYS A 82 -2.998 -13.712 -0.939 1.00 3.32 C ATOM 1225 C LYS A 82 -3.085 -15.053 -0.182 1.00 61.32 C ATOM 1226 O LYS A 82 -2.531 -16.062 -0.635 1.00 34.03 O ATOM 1227 CB LYS A 82 -3.687 -13.841 -2.326 1.00 23.14 C ATOM 1228 CG LYS A 82 -5.221 -14.031 -2.284 1.00 53.13 C ATOM 1229 CD LYS A 82 -5.854 -14.086 -3.700 1.00 4.45 C ATOM 1230 CE LYS A 82 -7.394 -14.066 -3.669 1.00 2.02 C ATOM 1231 NZ LYS A 82 -7.963 -15.183 -2.872 1.00 64.32 N ATOM 0 H LYS A 82 -1.231 -13.305 -2.041 1.00 42.52 H new ATOM 0 HA LYS A 82 -3.520 -12.945 -0.368 1.00 3.32 H new ATOM 0 HB2 LYS A 82 -3.463 -12.948 -2.909 1.00 23.14 H new ATOM 0 HB3 LYS A 82 -3.247 -14.686 -2.855 1.00 23.14 H new ATOM 0 HG2 LYS A 82 -5.455 -14.952 -1.749 1.00 53.13 H new ATOM 0 HG3 LYS A 82 -5.670 -13.213 -1.721 1.00 53.13 H new ATOM 0 HD2 LYS A 82 -5.496 -13.239 -4.286 1.00 4.45 H new ATOM 0 HD3 LYS A 82 -5.517 -14.990 -4.208 1.00 4.45 H new ATOM 0 HE2 LYS A 82 -7.733 -13.118 -3.253 1.00 2.02 H new ATOM 0 HE3 LYS A 82 -7.775 -14.121 -4.689 1.00 2.02 H new ATOM 0 HZ1 LYS A 82 -9.002 -15.134 -2.897 1.00 64.32 H new ATOM 0 HZ2 LYS A 82 -7.650 -16.090 -3.273 1.00 64.32 H new ATOM 0 HZ3 LYS A 82 -7.637 -15.108 -1.887 1.00 64.32 H new ATOM 1245 N GLY A 83 -3.774 -15.042 0.963 1.00 11.21 N ATOM 1246 CA GLY A 83 -3.880 -16.216 1.837 1.00 20.25 C ATOM 1247 C GLY A 83 -2.814 -16.245 2.940 1.00 22.02 C ATOM 1248 O GLY A 83 -2.883 -17.080 3.849 1.00 54.50 O ATOM 0 H GLY A 83 -4.273 -14.223 1.310 1.00 11.21 H new ATOM 0 HA2 GLY A 83 -4.869 -16.232 2.295 1.00 20.25 H new ATOM 0 HA3 GLY A 83 -3.794 -17.120 1.233 1.00 20.25 H new ATOM 1252 N ALA A 84 -1.834 -15.319 2.866 1.00 52.23 N ATOM 1253 CA ALA A 84 -0.748 -15.215 3.860 1.00 13.23 C ATOM 1254 C ALA A 84 -1.227 -14.531 5.154 1.00 65.32 C ATOM 1255 O ALA A 84 -2.076 -13.627 5.123 1.00 32.14 O ATOM 1256 CB ALA A 84 0.449 -14.451 3.272 1.00 51.04 C ATOM 0 H ALA A 84 -1.775 -14.627 2.119 1.00 52.23 H new ATOM 0 HA ALA A 84 -0.436 -16.229 4.111 1.00 13.23 H new ATOM 0 HB1 ALA A 84 1.240 -14.384 4.019 1.00 51.04 H new ATOM 0 HB2 ALA A 84 0.822 -14.979 2.394 1.00 51.04 H new ATOM 0 HB3 ALA A 84 0.135 -13.447 2.985 1.00 51.04 H new ATOM 1262 N THR A 85 -0.653 -14.959 6.284 1.00 71.24 N ATOM 1263 CA THR A 85 -0.981 -14.417 7.614 1.00 3.44 C ATOM 1264 C THR A 85 -0.120 -13.164 7.904 1.00 14.03 C ATOM 1265 O THR A 85 1.111 -13.245 7.930 1.00 11.23 O ATOM 1266 CB THR A 85 -0.756 -15.495 8.730 1.00 11.43 C ATOM 1267 OG1 THR A 85 -1.443 -16.713 8.377 1.00 13.03 O ATOM 1268 CG2 THR A 85 -1.248 -15.018 10.108 1.00 52.23 C ATOM 0 H THR A 85 0.055 -15.693 6.305 1.00 71.24 H new ATOM 0 HA THR A 85 -2.034 -14.136 7.618 1.00 3.44 H new ATOM 0 HB THR A 85 0.318 -15.670 8.800 1.00 11.43 H new ATOM 0 HG1 THR A 85 -1.298 -17.384 9.076 1.00 13.03 H new ATOM 0 HG21 THR A 85 -1.071 -15.799 10.848 1.00 52.23 H new ATOM 0 HG22 THR A 85 -0.707 -14.116 10.395 1.00 52.23 H new ATOM 0 HG23 THR A 85 -2.315 -14.801 10.058 1.00 52.23 H new ATOM 1276 N ALA A 86 -0.780 -12.015 8.121 1.00 12.33 N ATOM 1277 CA ALA A 86 -0.114 -10.711 8.362 1.00 2.41 C ATOM 1278 C ALA A 86 -0.360 -10.235 9.801 1.00 72.25 C ATOM 1279 O ALA A 86 -1.393 -10.526 10.372 1.00 3.51 O ATOM 1280 CB ALA A 86 -0.629 -9.667 7.361 1.00 14.33 C ATOM 0 H ALA A 86 -1.798 -11.957 8.136 1.00 12.33 H new ATOM 0 HA ALA A 86 0.960 -10.837 8.222 1.00 2.41 H new ATOM 0 HB1 ALA A 86 -0.135 -8.713 7.544 1.00 14.33 H new ATOM 0 HB2 ALA A 86 -0.412 -9.999 6.346 1.00 14.33 H new ATOM 0 HB3 ALA A 86 -1.706 -9.548 7.481 1.00 14.33 H new ATOM 1286 N GLU A 87 0.590 -9.495 10.378 1.00 3.03 N ATOM 1287 CA GLU A 87 0.468 -8.957 11.752 1.00 24.42 C ATOM 1288 C GLU A 87 0.503 -7.417 11.727 1.00 30.45 C ATOM 1289 O GLU A 87 1.422 -6.821 11.154 1.00 45.10 O ATOM 1290 CB GLU A 87 1.593 -9.534 12.654 1.00 5.33 C ATOM 1291 CG GLU A 87 1.511 -9.116 14.138 1.00 52.25 C ATOM 1292 CD GLU A 87 2.524 -9.863 15.028 1.00 50.51 C ATOM 1293 OE1 GLU A 87 3.725 -9.504 15.014 1.00 3.34 O ATOM 1294 OE2 GLU A 87 2.126 -10.812 15.742 1.00 74.24 O ATOM 0 H GLU A 87 1.465 -9.248 9.916 1.00 3.03 H new ATOM 0 HA GLU A 87 -0.490 -9.263 12.172 1.00 24.42 H new ATOM 0 HB2 GLU A 87 1.564 -10.622 12.595 1.00 5.33 H new ATOM 0 HB3 GLU A 87 2.557 -9.219 12.255 1.00 5.33 H new ATOM 0 HG2 GLU A 87 1.686 -8.043 14.218 1.00 52.25 H new ATOM 0 HG3 GLU A 87 0.503 -9.303 14.508 1.00 52.25 H new ATOM 1301 N ILE A 88 -0.519 -6.791 12.338 1.00 64.14 N ATOM 1302 CA ILE A 88 -0.655 -5.320 12.398 1.00 1.03 C ATOM 1303 C ILE A 88 0.457 -4.712 13.301 1.00 11.42 C ATOM 1304 O ILE A 88 0.382 -4.798 14.532 1.00 24.03 O ATOM 1305 CB ILE A 88 -2.079 -4.886 12.949 1.00 32.25 C ATOM 1306 CG1 ILE A 88 -3.250 -5.629 12.212 1.00 63.14 C ATOM 1307 CG2 ILE A 88 -2.270 -3.343 12.872 1.00 4.51 C ATOM 1308 CD1 ILE A 88 -3.393 -5.316 10.729 1.00 43.31 C ATOM 0 H ILE A 88 -1.276 -7.290 12.805 1.00 64.14 H new ATOM 0 HA ILE A 88 -0.551 -4.941 11.381 1.00 1.03 H new ATOM 0 HB ILE A 88 -2.114 -5.182 13.997 1.00 32.25 H new ATOM 0 HG12 ILE A 88 -3.105 -6.703 12.327 1.00 63.14 H new ATOM 0 HG13 ILE A 88 -4.187 -5.379 12.710 1.00 63.14 H new ATOM 0 HG21 ILE A 88 -3.255 -3.079 13.257 1.00 4.51 H new ATOM 0 HG22 ILE A 88 -1.503 -2.851 13.470 1.00 4.51 H new ATOM 0 HG23 ILE A 88 -2.186 -3.017 11.835 1.00 4.51 H new ATOM 0 HD11 ILE A 88 -4.230 -5.880 10.317 1.00 43.31 H new ATOM 0 HD12 ILE A 88 -3.575 -4.249 10.598 1.00 43.31 H new ATOM 0 HD13 ILE A 88 -2.477 -5.594 10.208 1.00 43.31 H new ATOM 1320 N ASP A 89 1.497 -4.133 12.676 1.00 24.14 N ATOM 1321 CA ASP A 89 2.558 -3.385 13.390 1.00 23.31 C ATOM 1322 C ASP A 89 2.006 -2.041 13.905 1.00 51.31 C ATOM 1323 O ASP A 89 2.308 -1.609 15.023 1.00 52.11 O ATOM 1324 CB ASP A 89 3.756 -3.110 12.448 1.00 51.11 C ATOM 1325 CG ASP A 89 4.347 -4.385 11.842 1.00 11.33 C ATOM 1326 OD1 ASP A 89 4.990 -5.162 12.585 1.00 55.33 O ATOM 1327 OD2 ASP A 89 4.198 -4.607 10.627 1.00 24.13 O ATOM 0 H ASP A 89 1.630 -4.167 11.665 1.00 24.14 H new ATOM 0 HA ASP A 89 2.893 -3.991 14.232 1.00 23.31 H new ATOM 0 HB2 ASP A 89 3.434 -2.448 11.644 1.00 51.11 H new ATOM 0 HB3 ASP A 89 4.533 -2.584 13.002 1.00 51.11 H new ATOM 1332 N SER A 90 1.167 -1.411 13.065 1.00 22.55 N ATOM 1333 CA SER A 90 0.636 -0.058 13.313 1.00 1.30 C ATOM 1334 C SER A 90 -0.706 0.160 12.582 1.00 31.32 C ATOM 1335 O SER A 90 -0.934 -0.392 11.500 1.00 1.35 O ATOM 1336 CB SER A 90 1.664 1.007 12.854 1.00 31.32 C ATOM 1337 OG SER A 90 1.220 2.322 13.143 1.00 61.44 O ATOM 0 H SER A 90 0.837 -1.826 12.193 1.00 22.55 H new ATOM 0 HA SER A 90 0.460 0.044 14.384 1.00 1.30 H new ATOM 0 HB2 SER A 90 2.619 0.828 13.348 1.00 31.32 H new ATOM 0 HB3 SER A 90 1.837 0.908 11.782 1.00 31.32 H new ATOM 0 HG SER A 90 1.893 2.968 12.842 1.00 61.44 H new ATOM 1343 N ALA A 91 -1.585 0.977 13.189 1.00 21.32 N ATOM 1344 CA ALA A 91 -2.893 1.361 12.612 1.00 61.54 C ATOM 1345 C ALA A 91 -3.093 2.889 12.731 1.00 35.21 C ATOM 1346 O ALA A 91 -2.863 3.471 13.801 1.00 14.00 O ATOM 1347 CB ALA A 91 -4.033 0.603 13.317 1.00 30.32 C ATOM 0 H ALA A 91 -1.409 1.395 14.103 1.00 21.32 H new ATOM 0 HA ALA A 91 -2.909 1.090 11.556 1.00 61.54 H new ATOM 0 HB1 ALA A 91 -4.988 0.896 12.882 1.00 30.32 H new ATOM 0 HB2 ALA A 91 -3.890 -0.470 13.189 1.00 30.32 H new ATOM 0 HB3 ALA A 91 -4.029 0.846 14.380 1.00 30.32 H new ATOM 1353 N GLU A 92 -3.523 3.530 11.631 1.00 22.32 N ATOM 1354 CA GLU A 92 -3.713 4.997 11.567 1.00 72.52 C ATOM 1355 C GLU A 92 -4.859 5.357 10.612 1.00 22.32 C ATOM 1356 O GLU A 92 -4.994 4.746 9.564 1.00 63.10 O ATOM 1357 CB GLU A 92 -2.407 5.702 11.093 1.00 32.15 C ATOM 1358 CG GLU A 92 -2.463 7.251 11.066 1.00 40.44 C ATOM 1359 CD GLU A 92 -2.795 7.891 12.435 1.00 25.40 C ATOM 1360 OE1 GLU A 92 -1.872 8.090 13.250 1.00 72.40 O ATOM 1361 OE2 GLU A 92 -3.983 8.187 12.704 1.00 33.24 O ATOM 0 H GLU A 92 -3.750 3.050 10.760 1.00 22.32 H new ATOM 0 HA GLU A 92 -3.963 5.342 12.570 1.00 72.52 H new ATOM 0 HB2 GLU A 92 -1.590 5.396 11.747 1.00 32.15 H new ATOM 0 HB3 GLU A 92 -2.164 5.346 10.092 1.00 32.15 H new ATOM 0 HG2 GLU A 92 -1.502 7.633 10.721 1.00 40.44 H new ATOM 0 HG3 GLU A 92 -3.211 7.565 10.338 1.00 40.44 H new ATOM 1368 N LYS A 93 -5.657 6.378 10.957 1.00 41.14 N ATOM 1369 CA LYS A 93 -6.689 6.913 10.051 1.00 4.44 C ATOM 1370 C LYS A 93 -6.040 8.052 9.231 1.00 62.34 C ATOM 1371 O LYS A 93 -5.942 9.191 9.695 1.00 71.11 O ATOM 1372 CB LYS A 93 -7.950 7.406 10.831 1.00 64.42 C ATOM 1373 CG LYS A 93 -8.769 6.302 11.561 1.00 33.02 C ATOM 1374 CD LYS A 93 -8.047 5.706 12.796 1.00 2.00 C ATOM 1375 CE LYS A 93 -8.894 4.653 13.535 1.00 12.24 C ATOM 1376 NZ LYS A 93 -10.157 5.225 14.085 1.00 53.01 N ATOM 0 H LYS A 93 -5.609 6.852 11.859 1.00 41.14 H new ATOM 0 HA LYS A 93 -7.046 6.127 9.385 1.00 4.44 H new ATOM 0 HB2 LYS A 93 -7.633 8.144 11.568 1.00 64.42 H new ATOM 0 HB3 LYS A 93 -8.610 7.918 10.131 1.00 64.42 H new ATOM 0 HG2 LYS A 93 -9.725 6.720 11.876 1.00 33.02 H new ATOM 0 HG3 LYS A 93 -8.989 5.499 10.857 1.00 33.02 H new ATOM 0 HD2 LYS A 93 -7.109 5.252 12.478 1.00 2.00 H new ATOM 0 HD3 LYS A 93 -7.794 6.511 13.486 1.00 2.00 H new ATOM 0 HE2 LYS A 93 -9.134 3.839 12.851 1.00 12.24 H new ATOM 0 HE3 LYS A 93 -8.308 4.224 14.348 1.00 12.24 H new ATOM 0 HZ1 LYS A 93 -10.617 4.523 14.700 1.00 53.01 H new ATOM 0 HZ2 LYS A 93 -9.940 6.079 14.637 1.00 53.01 H new ATOM 0 HZ3 LYS A 93 -10.796 5.472 13.302 1.00 53.01 H new ATOM 1390 N THR A 94 -5.548 7.711 8.031 1.00 4.21 N ATOM 1391 CA THR A 94 -4.732 8.619 7.179 1.00 54.55 C ATOM 1392 C THR A 94 -5.203 8.576 5.713 1.00 44.15 C ATOM 1393 O THR A 94 -5.838 7.597 5.283 1.00 14.12 O ATOM 1394 CB THR A 94 -3.200 8.275 7.264 1.00 32.11 C ATOM 1395 OG1 THR A 94 -2.433 9.161 6.424 1.00 22.14 O ATOM 1396 CG2 THR A 94 -2.902 6.812 6.880 1.00 25.12 C ATOM 0 H THR A 94 -5.700 6.793 7.612 1.00 4.21 H new ATOM 0 HA THR A 94 -4.874 9.629 7.563 1.00 54.55 H new ATOM 0 HB THR A 94 -2.907 8.411 8.305 1.00 32.11 H new ATOM 0 HG1 THR A 94 -1.482 8.933 6.491 1.00 22.14 H new ATOM 0 HG21 THR A 94 -1.830 6.627 6.955 1.00 25.12 H new ATOM 0 HG22 THR A 94 -3.434 6.143 7.556 1.00 25.12 H new ATOM 0 HG23 THR A 94 -3.230 6.630 5.857 1.00 25.12 H new ATOM 1404 N THR A 95 -4.912 9.646 4.950 1.00 4.25 N ATOM 1405 CA THR A 95 -5.321 9.759 3.543 1.00 61.21 C ATOM 1406 C THR A 95 -4.365 8.955 2.632 1.00 75.41 C ATOM 1407 O THR A 95 -3.163 9.233 2.583 1.00 53.34 O ATOM 1408 CB THR A 95 -5.369 11.260 3.086 1.00 41.51 C ATOM 1409 OG1 THR A 95 -6.311 11.977 3.902 1.00 64.42 O ATOM 1410 CG2 THR A 95 -5.782 11.414 1.608 1.00 32.13 C ATOM 0 H THR A 95 -4.389 10.452 5.292 1.00 4.25 H new ATOM 0 HA THR A 95 -6.324 9.343 3.454 1.00 61.21 H new ATOM 0 HB THR A 95 -4.363 11.663 3.198 1.00 41.51 H new ATOM 0 HG1 THR A 95 -6.341 12.915 3.619 1.00 64.42 H new ATOM 0 HG21 THR A 95 -5.800 12.471 1.343 1.00 32.13 H new ATOM 0 HG22 THR A 95 -5.065 10.893 0.974 1.00 32.13 H new ATOM 0 HG23 THR A 95 -6.774 10.987 1.461 1.00 32.13 H new ATOM 1418 N VAL A 96 -4.923 7.973 1.903 1.00 11.34 N ATOM 1419 CA VAL A 96 -4.169 7.086 1.000 1.00 44.51 C ATOM 1420 C VAL A 96 -4.623 7.302 -0.466 1.00 22.33 C ATOM 1421 O VAL A 96 -5.824 7.393 -0.758 1.00 2.21 O ATOM 1422 CB VAL A 96 -4.319 5.566 1.414 1.00 62.02 C ATOM 1423 CG1 VAL A 96 -3.547 5.260 2.724 1.00 72.53 C ATOM 1424 CG2 VAL A 96 -5.814 5.160 1.550 1.00 40.03 C ATOM 0 H VAL A 96 -5.922 7.771 1.925 1.00 11.34 H new ATOM 0 HA VAL A 96 -3.113 7.343 1.084 1.00 44.51 H new ATOM 0 HB VAL A 96 -3.880 4.968 0.616 1.00 62.02 H new ATOM 0 HG11 VAL A 96 -3.670 4.208 2.981 1.00 72.53 H new ATOM 0 HG12 VAL A 96 -2.488 5.478 2.582 1.00 72.53 H new ATOM 0 HG13 VAL A 96 -3.939 5.879 3.531 1.00 72.53 H new ATOM 0 HG21 VAL A 96 -5.881 4.110 1.835 1.00 40.03 H new ATOM 0 HG22 VAL A 96 -6.290 5.775 2.314 1.00 40.03 H new ATOM 0 HG23 VAL A 96 -6.320 5.310 0.596 1.00 40.03 H new ATOM 1434 N TYR A 97 -3.647 7.407 -1.377 1.00 1.43 N ATOM 1435 CA TYR A 97 -3.880 7.652 -2.810 1.00 32.32 C ATOM 1436 C TYR A 97 -3.542 6.420 -3.668 1.00 34.00 C ATOM 1437 O TYR A 97 -2.522 5.748 -3.465 1.00 60.45 O ATOM 1438 CB TYR A 97 -3.037 8.857 -3.299 1.00 70.34 C ATOM 1439 CG TYR A 97 -3.384 10.178 -2.607 1.00 40.31 C ATOM 1440 CD1 TYR A 97 -4.433 10.975 -3.064 1.00 34.12 C ATOM 1441 CD2 TYR A 97 -2.674 10.622 -1.490 1.00 73.32 C ATOM 1442 CE1 TYR A 97 -4.756 12.159 -2.440 1.00 1.51 C ATOM 1443 CE2 TYR A 97 -3.000 11.805 -0.867 1.00 11.51 C ATOM 1444 CZ TYR A 97 -4.039 12.573 -1.344 1.00 15.32 C ATOM 1445 OH TYR A 97 -4.361 13.757 -0.716 1.00 44.05 O ATOM 0 H TYR A 97 -2.659 7.323 -1.138 1.00 1.43 H new ATOM 0 HA TYR A 97 -4.942 7.870 -2.925 1.00 32.32 H new ATOM 0 HB2 TYR A 97 -1.981 8.639 -3.136 1.00 70.34 H new ATOM 0 HB3 TYR A 97 -3.177 8.973 -4.374 1.00 70.34 H new ATOM 0 HD1 TYR A 97 -5.003 10.657 -3.924 1.00 34.12 H new ATOM 0 HD2 TYR A 97 -1.856 10.028 -1.109 1.00 73.32 H new ATOM 0 HE1 TYR A 97 -5.572 12.761 -2.812 1.00 1.51 H new ATOM 0 HE2 TYR A 97 -2.440 12.132 -0.003 1.00 11.51 H new ATOM 0 HH TYR A 97 -5.210 14.095 -1.070 1.00 44.05 H new ATOM 1455 N MET A 98 -4.436 6.137 -4.610 1.00 12.33 N ATOM 1456 CA MET A 98 -4.213 5.193 -5.704 1.00 13.11 C ATOM 1457 C MET A 98 -3.614 5.980 -6.895 1.00 52.42 C ATOM 1458 O MET A 98 -4.232 6.942 -7.344 1.00 63.33 O ATOM 1459 CB MET A 98 -5.576 4.548 -6.064 1.00 21.15 C ATOM 1460 CG MET A 98 -5.500 3.427 -7.091 1.00 32.33 C ATOM 1461 SD MET A 98 -7.099 2.647 -7.420 1.00 2.10 S ATOM 1462 CE MET A 98 -8.073 4.012 -8.041 1.00 44.40 C ATOM 0 H MET A 98 -5.360 6.568 -4.636 1.00 12.33 H new ATOM 0 HA MET A 98 -3.519 4.398 -5.431 1.00 13.11 H new ATOM 0 HB2 MET A 98 -6.029 4.157 -5.153 1.00 21.15 H new ATOM 0 HB3 MET A 98 -6.241 5.324 -6.443 1.00 21.15 H new ATOM 0 HG2 MET A 98 -5.099 3.825 -8.023 1.00 32.33 H new ATOM 0 HG3 MET A 98 -4.799 2.669 -6.740 1.00 32.33 H new ATOM 0 HE1 MET A 98 -8.866 4.246 -7.330 1.00 44.40 H new ATOM 0 HE2 MET A 98 -7.434 4.885 -8.172 1.00 44.40 H new ATOM 0 HE3 MET A 98 -8.514 3.738 -8.999 1.00 44.40 H new ATOM 1472 N VAL A 99 -2.403 5.608 -7.373 1.00 51.40 N ATOM 1473 CA VAL A 99 -1.670 6.401 -8.417 1.00 30.44 C ATOM 1474 C VAL A 99 -1.213 5.542 -9.628 1.00 10.34 C ATOM 1475 O VAL A 99 -0.859 4.379 -9.475 1.00 14.00 O ATOM 1476 CB VAL A 99 -0.415 7.156 -7.808 1.00 60.52 C ATOM 1477 CG1 VAL A 99 -0.850 8.248 -6.795 1.00 13.25 C ATOM 1478 CG2 VAL A 99 0.593 6.165 -7.156 1.00 43.21 C ATOM 0 H VAL A 99 -1.907 4.773 -7.062 1.00 51.40 H new ATOM 0 HA VAL A 99 -2.392 7.133 -8.779 1.00 30.44 H new ATOM 0 HB VAL A 99 0.095 7.648 -8.636 1.00 60.52 H new ATOM 0 HG11 VAL A 99 0.033 8.747 -6.396 1.00 13.25 H new ATOM 0 HG12 VAL A 99 -1.483 8.979 -7.298 1.00 13.25 H new ATOM 0 HG13 VAL A 99 -1.406 7.786 -5.979 1.00 13.25 H new ATOM 0 HG21 VAL A 99 1.439 6.720 -6.750 1.00 43.21 H new ATOM 0 HG22 VAL A 99 0.098 5.619 -6.353 1.00 43.21 H new ATOM 0 HG23 VAL A 99 0.949 5.461 -7.908 1.00 43.21 H new ATOM 1488 N ASP A 100 -1.221 6.145 -10.838 1.00 72.32 N ATOM 1489 CA ASP A 100 -0.663 5.530 -12.070 1.00 5.43 C ATOM 1490 C ASP A 100 0.672 6.230 -12.448 1.00 54.54 C ATOM 1491 O ASP A 100 0.707 7.445 -12.655 1.00 3.05 O ATOM 1492 CB ASP A 100 -1.699 5.580 -13.242 1.00 60.10 C ATOM 1493 CG ASP A 100 -2.010 6.992 -13.775 1.00 41.05 C ATOM 1494 OD1 ASP A 100 -2.572 7.805 -13.020 1.00 55.41 O ATOM 1495 OD2 ASP A 100 -1.716 7.281 -14.956 1.00 62.40 O ATOM 0 H ASP A 100 -1.615 7.073 -10.991 1.00 72.32 H new ATOM 0 HA ASP A 100 -0.453 4.478 -11.879 1.00 5.43 H new ATOM 0 HB2 ASP A 100 -1.324 4.972 -14.065 1.00 60.10 H new ATOM 0 HB3 ASP A 100 -2.629 5.122 -12.905 1.00 60.10 H new ATOM 1500 N TYR A 101 1.779 5.467 -12.506 1.00 61.32 N ATOM 1501 CA TYR A 101 3.131 6.027 -12.757 1.00 70.51 C ATOM 1502 C TYR A 101 3.846 5.314 -13.919 1.00 24.43 C ATOM 1503 O TYR A 101 3.453 4.224 -14.343 1.00 64.23 O ATOM 1504 CB TYR A 101 3.992 5.948 -11.460 1.00 71.35 C ATOM 1505 CG TYR A 101 4.332 4.523 -10.965 1.00 72.23 C ATOM 1506 CD1 TYR A 101 3.450 3.800 -10.154 1.00 21.33 C ATOM 1507 CD2 TYR A 101 5.545 3.910 -11.304 1.00 63.21 C ATOM 1508 CE1 TYR A 101 3.764 2.529 -9.706 1.00 42.45 C ATOM 1509 CE2 TYR A 101 5.857 2.641 -10.861 1.00 1.53 C ATOM 1510 CZ TYR A 101 4.969 1.954 -10.060 1.00 60.01 C ATOM 1511 OH TYR A 101 5.289 0.684 -9.617 1.00 75.02 O ATOM 0 H TYR A 101 1.769 4.455 -12.382 1.00 61.32 H new ATOM 0 HA TYR A 101 3.007 7.071 -13.046 1.00 70.51 H new ATOM 0 HB2 TYR A 101 4.925 6.485 -11.632 1.00 71.35 H new ATOM 0 HB3 TYR A 101 3.465 6.473 -10.664 1.00 71.35 H new ATOM 0 HD1 TYR A 101 2.506 4.243 -9.872 1.00 21.33 H new ATOM 0 HD2 TYR A 101 6.251 4.442 -11.925 1.00 63.21 H new ATOM 0 HE1 TYR A 101 3.069 1.988 -9.081 1.00 42.45 H new ATOM 0 HE2 TYR A 101 6.796 2.186 -11.141 1.00 1.53 H new ATOM 0 HH TYR A 101 6.172 0.431 -9.959 1.00 75.02 H new ATOM 1521 N THR A 102 4.927 5.940 -14.406 1.00 54.23 N ATOM 1522 CA THR A 102 5.842 5.326 -15.386 1.00 44.33 C ATOM 1523 C THR A 102 7.130 4.887 -14.656 1.00 2.33 C ATOM 1524 O THR A 102 7.915 5.735 -14.210 1.00 65.03 O ATOM 1525 CB THR A 102 6.196 6.314 -16.555 1.00 73.42 C ATOM 1526 OG1 THR A 102 4.992 6.834 -17.145 1.00 51.01 O ATOM 1527 CG2 THR A 102 7.036 5.631 -17.658 1.00 73.44 C ATOM 0 H THR A 102 5.194 6.886 -14.133 1.00 54.23 H new ATOM 0 HA THR A 102 5.345 4.464 -15.831 1.00 44.33 H new ATOM 0 HB THR A 102 6.787 7.121 -16.123 1.00 73.42 H new ATOM 0 HG1 THR A 102 5.223 7.450 -17.871 1.00 51.01 H new ATOM 0 HG21 THR A 102 7.257 6.351 -18.445 1.00 73.44 H new ATOM 0 HG22 THR A 102 7.969 5.263 -17.230 1.00 73.44 H new ATOM 0 HG23 THR A 102 6.475 4.796 -18.078 1.00 73.44 H new ATOM 1535 N SER A 103 7.311 3.561 -14.497 1.00 34.51 N ATOM 1536 CA SER A 103 8.503 2.975 -13.833 1.00 62.34 C ATOM 1537 C SER A 103 9.789 3.325 -14.613 1.00 12.21 C ATOM 1538 O SER A 103 10.019 2.792 -15.697 1.00 61.21 O ATOM 1539 CB SER A 103 8.341 1.437 -13.706 1.00 30.52 C ATOM 1540 OG SER A 103 9.471 0.834 -13.086 1.00 43.43 O ATOM 0 H SER A 103 6.641 2.864 -14.822 1.00 34.51 H new ATOM 0 HA SER A 103 8.588 3.400 -12.833 1.00 62.34 H new ATOM 0 HB2 SER A 103 7.446 1.213 -13.126 1.00 30.52 H new ATOM 0 HB3 SER A 103 8.196 1.004 -14.696 1.00 30.52 H new ATOM 0 HG SER A 103 9.331 -0.134 -13.022 1.00 43.43 H new ATOM 1546 N THR A 104 10.603 4.234 -14.044 1.00 4.44 N ATOM 1547 CA THR A 104 11.834 4.774 -14.688 1.00 62.03 C ATOM 1548 C THR A 104 12.874 3.673 -15.037 1.00 64.44 C ATOM 1549 O THR A 104 13.613 3.789 -16.024 1.00 61.52 O ATOM 1550 CB THR A 104 12.522 5.831 -13.763 1.00 73.22 C ATOM 1551 OG1 THR A 104 12.957 5.197 -12.544 1.00 53.05 O ATOM 1552 CG2 THR A 104 11.579 7.005 -13.419 1.00 44.24 C ATOM 0 H THR A 104 10.431 4.623 -13.117 1.00 4.44 H new ATOM 0 HA THR A 104 11.504 5.234 -15.619 1.00 62.03 H new ATOM 0 HB THR A 104 13.375 6.236 -14.307 1.00 73.22 H new ATOM 0 HG1 THR A 104 12.180 5.016 -11.974 1.00 53.05 H new ATOM 0 HG21 THR A 104 12.100 7.713 -12.775 1.00 44.24 H new ATOM 0 HG22 THR A 104 11.273 7.506 -14.337 1.00 44.24 H new ATOM 0 HG23 THR A 104 10.698 6.625 -12.902 1.00 44.24 H new ATOM 1560 N THR A 105 12.909 2.610 -14.212 1.00 10.14 N ATOM 1561 CA THR A 105 13.879 1.487 -14.340 1.00 72.12 C ATOM 1562 C THR A 105 13.520 0.503 -15.491 1.00 31.03 C ATOM 1563 O THR A 105 14.342 -0.329 -15.886 1.00 3.04 O ATOM 1564 CB THR A 105 13.986 0.695 -12.982 1.00 2.13 C ATOM 1565 OG1 THR A 105 15.041 -0.283 -13.032 1.00 21.40 O ATOM 1566 CG2 THR A 105 12.667 -0.005 -12.598 1.00 12.24 C ATOM 0 H THR A 105 12.264 2.498 -13.430 1.00 10.14 H new ATOM 0 HA THR A 105 14.841 1.937 -14.586 1.00 72.12 H new ATOM 0 HB THR A 105 14.211 1.439 -12.218 1.00 2.13 H new ATOM 0 HG1 THR A 105 15.255 -0.485 -13.967 1.00 21.40 H new ATOM 0 HG21 THR A 105 12.798 -0.535 -11.655 1.00 12.24 H new ATOM 0 HG22 THR A 105 11.878 0.739 -12.490 1.00 12.24 H new ATOM 0 HG23 THR A 105 12.391 -0.715 -13.378 1.00 12.24 H new ATOM 1574 N SER A 106 12.288 0.612 -16.026 1.00 1.24 N ATOM 1575 CA SER A 106 11.737 -0.352 -17.019 1.00 12.24 C ATOM 1576 C SER A 106 11.282 0.335 -18.327 1.00 42.53 C ATOM 1577 O SER A 106 11.557 -0.152 -19.427 1.00 75.42 O ATOM 1578 CB SER A 106 10.536 -1.103 -16.390 1.00 12.42 C ATOM 1579 OG SER A 106 9.942 -2.016 -17.306 1.00 2.44 O ATOM 0 H SER A 106 11.643 1.365 -15.788 1.00 1.24 H new ATOM 0 HA SER A 106 12.537 -1.046 -17.278 1.00 12.24 H new ATOM 0 HB2 SER A 106 10.869 -1.643 -15.504 1.00 12.42 H new ATOM 0 HB3 SER A 106 9.789 -0.381 -16.061 1.00 12.42 H new ATOM 0 HG SER A 106 9.190 -2.471 -16.873 1.00 2.44 H new ATOM 1585 N GLY A 107 10.584 1.473 -18.194 1.00 54.12 N ATOM 1586 CA GLY A 107 9.840 2.090 -19.308 1.00 24.03 C ATOM 1587 C GLY A 107 8.345 1.736 -19.282 1.00 53.14 C ATOM 1588 O GLY A 107 7.526 2.410 -19.917 1.00 34.35 O ATOM 0 H GLY A 107 10.518 1.991 -17.318 1.00 54.12 H new ATOM 0 HA2 GLY A 107 9.955 3.173 -19.262 1.00 24.03 H new ATOM 0 HA3 GLY A 107 10.271 1.763 -20.254 1.00 24.03 H new ATOM 1592 N GLU A 108 8.005 0.663 -18.543 1.00 33.24 N ATOM 1593 CA GLU A 108 6.620 0.183 -18.364 1.00 50.42 C ATOM 1594 C GLU A 108 5.815 1.112 -17.424 1.00 4.45 C ATOM 1595 O GLU A 108 6.323 1.550 -16.385 1.00 73.42 O ATOM 1596 CB GLU A 108 6.642 -1.267 -17.792 1.00 13.44 C ATOM 1597 CG GLU A 108 5.260 -1.910 -17.511 1.00 13.35 C ATOM 1598 CD GLU A 108 4.405 -2.152 -18.776 1.00 20.22 C ATOM 1599 OE1 GLU A 108 3.716 -1.213 -19.243 1.00 32.01 O ATOM 1600 OE2 GLU A 108 4.409 -3.287 -19.303 1.00 42.14 O ATOM 0 H GLU A 108 8.693 0.097 -18.047 1.00 33.24 H new ATOM 0 HA GLU A 108 6.128 0.188 -19.337 1.00 50.42 H new ATOM 0 HB2 GLU A 108 7.181 -1.904 -18.493 1.00 13.44 H new ATOM 0 HB3 GLU A 108 7.213 -1.261 -16.863 1.00 13.44 H new ATOM 0 HG2 GLU A 108 5.411 -2.861 -17.001 1.00 13.35 H new ATOM 0 HG3 GLU A 108 4.705 -1.267 -16.828 1.00 13.35 H new ATOM 1607 N LYS A 109 4.561 1.397 -17.803 1.00 60.30 N ATOM 1608 CA LYS A 109 3.627 2.174 -16.972 1.00 35.31 C ATOM 1609 C LYS A 109 2.796 1.227 -16.070 1.00 3.01 C ATOM 1610 O LYS A 109 2.040 0.376 -16.555 1.00 32.03 O ATOM 1611 CB LYS A 109 2.710 3.053 -17.862 1.00 34.42 C ATOM 1612 CG LYS A 109 3.472 4.116 -18.698 1.00 3.55 C ATOM 1613 CD LYS A 109 2.536 5.015 -19.540 1.00 63.40 C ATOM 1614 CE LYS A 109 1.718 4.222 -20.575 1.00 44.22 C ATOM 1615 NZ LYS A 109 0.774 5.088 -21.323 1.00 72.21 N ATOM 0 H LYS A 109 4.165 1.096 -18.693 1.00 60.30 H new ATOM 0 HA LYS A 109 4.200 2.839 -16.326 1.00 35.31 H new ATOM 0 HB2 LYS A 109 2.150 2.407 -18.538 1.00 34.42 H new ATOM 0 HB3 LYS A 109 1.982 3.558 -17.228 1.00 34.42 H new ATOM 0 HG2 LYS A 109 4.060 4.742 -18.028 1.00 3.55 H new ATOM 0 HG3 LYS A 109 4.174 3.612 -19.362 1.00 3.55 H new ATOM 0 HD2 LYS A 109 1.855 5.546 -18.875 1.00 63.40 H new ATOM 0 HD3 LYS A 109 3.131 5.769 -20.055 1.00 63.40 H new ATOM 0 HE2 LYS A 109 2.396 3.735 -21.276 1.00 44.22 H new ATOM 0 HE3 LYS A 109 1.162 3.433 -20.069 1.00 44.22 H new ATOM 0 HZ1 LYS A 109 0.244 4.513 -22.009 1.00 72.21 H new ATOM 0 HZ2 LYS A 109 0.110 5.533 -20.658 1.00 72.21 H new ATOM 0 HZ3 LYS A 109 1.305 5.826 -21.828 1.00 72.21 H new ATOM 1629 N VAL A 110 2.952 1.398 -14.753 1.00 32.44 N ATOM 1630 CA VAL A 110 2.245 0.602 -13.728 1.00 53.02 C ATOM 1631 C VAL A 110 1.120 1.467 -13.122 1.00 44.21 C ATOM 1632 O VAL A 110 1.394 2.506 -12.517 1.00 64.54 O ATOM 1633 CB VAL A 110 3.224 0.100 -12.605 1.00 33.44 C ATOM 1634 CG1 VAL A 110 2.476 -0.692 -11.498 1.00 63.21 C ATOM 1635 CG2 VAL A 110 4.379 -0.738 -13.212 1.00 14.34 C ATOM 0 H VAL A 110 3.578 2.099 -14.358 1.00 32.44 H new ATOM 0 HA VAL A 110 1.822 -0.285 -14.198 1.00 53.02 H new ATOM 0 HB VAL A 110 3.657 0.981 -12.131 1.00 33.44 H new ATOM 0 HG11 VAL A 110 3.188 -1.021 -10.742 1.00 63.21 H new ATOM 0 HG12 VAL A 110 1.726 -0.051 -11.035 1.00 63.21 H new ATOM 0 HG13 VAL A 110 1.988 -1.561 -11.939 1.00 63.21 H new ATOM 0 HG21 VAL A 110 5.043 -1.074 -12.415 1.00 14.34 H new ATOM 0 HG22 VAL A 110 3.967 -1.604 -13.730 1.00 14.34 H new ATOM 0 HG23 VAL A 110 4.940 -0.126 -13.918 1.00 14.34 H new ATOM 1645 N LYS A 111 -0.140 1.019 -13.262 1.00 43.41 N ATOM 1646 CA LYS A 111 -1.323 1.851 -12.938 1.00 2.23 C ATOM 1647 C LYS A 111 -1.958 1.440 -11.592 1.00 43.04 C ATOM 1648 O LYS A 111 -1.831 0.291 -11.161 1.00 43.13 O ATOM 1649 CB LYS A 111 -2.388 1.774 -14.073 1.00 74.30 C ATOM 1650 CG LYS A 111 -3.015 0.377 -14.278 1.00 12.13 C ATOM 1651 CD LYS A 111 -4.184 0.381 -15.289 1.00 43.25 C ATOM 1652 CE LYS A 111 -4.866 -0.997 -15.415 1.00 4.31 C ATOM 1653 NZ LYS A 111 -6.010 -0.969 -16.363 1.00 65.22 N ATOM 0 H LYS A 111 -0.371 0.084 -13.598 1.00 43.41 H new ATOM 0 HA LYS A 111 -0.975 2.880 -12.850 1.00 2.23 H new ATOM 0 HB2 LYS A 111 -3.184 2.486 -13.854 1.00 74.30 H new ATOM 0 HB3 LYS A 111 -1.926 2.090 -15.008 1.00 74.30 H new ATOM 0 HG2 LYS A 111 -2.245 -0.313 -14.624 1.00 12.13 H new ATOM 0 HG3 LYS A 111 -3.373 0.001 -13.319 1.00 12.13 H new ATOM 0 HD2 LYS A 111 -4.923 1.121 -14.981 1.00 43.25 H new ATOM 0 HD3 LYS A 111 -3.813 0.689 -16.266 1.00 43.25 H new ATOM 0 HE2 LYS A 111 -4.136 -1.733 -15.750 1.00 4.31 H new ATOM 0 HE3 LYS A 111 -5.216 -1.319 -14.434 1.00 4.31 H new ATOM 0 HZ1 LYS A 111 -6.439 -1.915 -16.417 1.00 65.22 H new ATOM 0 HZ2 LYS A 111 -6.720 -0.285 -16.030 1.00 65.22 H new ATOM 0 HZ3 LYS A 111 -5.673 -0.687 -17.306 1.00 65.22 H new ATOM 1667 N ASN A 112 -2.628 2.417 -10.952 1.00 52.15 N ATOM 1668 CA ASN A 112 -3.497 2.205 -9.767 1.00 53.23 C ATOM 1669 C ASN A 112 -2.797 1.455 -8.592 1.00 30.52 C ATOM 1670 O ASN A 112 -3.399 0.589 -7.937 1.00 63.30 O ATOM 1671 CB ASN A 112 -4.823 1.507 -10.204 1.00 14.34 C ATOM 1672 CG ASN A 112 -5.683 2.367 -11.144 1.00 63.51 C ATOM 1673 OD1 ASN A 112 -5.174 3.156 -11.934 1.00 75.43 O ATOM 1674 ND2 ASN A 112 -6.994 2.234 -11.055 1.00 12.22 N ATOM 0 H ASN A 112 -2.583 3.393 -11.244 1.00 52.15 H new ATOM 0 HA ASN A 112 -3.728 3.189 -9.360 1.00 53.23 H new ATOM 0 HB2 ASN A 112 -4.584 0.567 -10.701 1.00 14.34 H new ATOM 0 HB3 ASN A 112 -5.405 1.259 -9.316 1.00 14.34 H new ATOM 0 HD21 ASN A 112 -7.605 2.793 -11.650 1.00 12.22 H new ATOM 0 HD22 ASN A 112 -7.396 1.572 -10.391 1.00 12.22 H new ATOM 1681 N HIS A 113 -1.534 1.840 -8.326 1.00 23.41 N ATOM 1682 CA HIS A 113 -0.727 1.327 -7.195 1.00 22.41 C ATOM 1683 C HIS A 113 -1.408 1.602 -5.825 1.00 40.11 C ATOM 1684 O HIS A 113 -1.890 2.715 -5.564 1.00 71.54 O ATOM 1685 CB HIS A 113 0.697 1.953 -7.227 1.00 72.30 C ATOM 1686 CG HIS A 113 1.543 1.616 -6.019 1.00 72.02 C ATOM 1687 ND1 HIS A 113 1.914 0.323 -5.747 1.00 13.10 N ATOM 1688 CD2 HIS A 113 1.977 2.415 -5.010 1.00 35.34 C ATOM 1689 CE1 HIS A 113 2.549 0.358 -4.592 1.00 41.22 C ATOM 1690 NE2 HIS A 113 2.613 1.604 -4.105 1.00 32.03 N ATOM 0 H HIS A 113 -1.037 2.524 -8.896 1.00 23.41 H new ATOM 0 HA HIS A 113 -0.648 0.246 -7.308 1.00 22.41 H new ATOM 0 HB2 HIS A 113 1.212 1.613 -8.125 1.00 72.30 H new ATOM 0 HB3 HIS A 113 0.605 3.036 -7.303 1.00 72.30 H new ATOM 0 HD2 HIS A 113 1.846 3.484 -4.935 1.00 35.34 H new ATOM 0 HE1 HIS A 113 2.965 -0.509 -4.100 1.00 41.22 H new ATOM 0 HE2 HIS A 113 3.050 1.894 -3.230 1.00 32.03 H new ATOM 1698 N LYS A 114 -1.430 0.567 -4.960 1.00 62.30 N ATOM 1699 CA LYS A 114 -2.071 0.614 -3.624 1.00 13.25 C ATOM 1700 C LYS A 114 -1.121 0.044 -2.522 1.00 21.53 C ATOM 1701 O LYS A 114 -0.531 -1.014 -2.721 1.00 3.41 O ATOM 1702 CB LYS A 114 -3.391 -0.217 -3.639 1.00 34.04 C ATOM 1703 CG LYS A 114 -4.478 0.288 -4.619 1.00 11.34 C ATOM 1704 CD LYS A 114 -5.763 -0.576 -4.581 1.00 15.11 C ATOM 1705 CE LYS A 114 -6.823 -0.120 -5.597 1.00 54.12 C ATOM 1706 NZ LYS A 114 -6.343 -0.228 -7.004 1.00 14.52 N ATOM 0 H LYS A 114 -1.000 -0.334 -5.169 1.00 62.30 H new ATOM 0 HA LYS A 114 -2.289 1.657 -3.393 1.00 13.25 H new ATOM 0 HB2 LYS A 114 -3.149 -1.249 -3.891 1.00 34.04 H new ATOM 0 HB3 LYS A 114 -3.808 -0.225 -2.632 1.00 34.04 H new ATOM 0 HG2 LYS A 114 -4.731 1.320 -4.375 1.00 11.34 H new ATOM 0 HG3 LYS A 114 -4.076 0.290 -5.632 1.00 11.34 H new ATOM 0 HD2 LYS A 114 -5.501 -1.615 -4.779 1.00 15.11 H new ATOM 0 HD3 LYS A 114 -6.189 -0.540 -3.578 1.00 15.11 H new ATOM 0 HE2 LYS A 114 -7.723 -0.723 -5.475 1.00 54.12 H new ATOM 0 HE3 LYS A 114 -7.101 0.913 -5.389 1.00 54.12 H new ATOM 0 HZ1 LYS A 114 -6.231 0.724 -7.407 1.00 14.52 H new ATOM 0 HZ2 LYS A 114 -5.427 -0.721 -7.022 1.00 14.52 H new ATOM 0 HZ3 LYS A 114 -7.035 -0.763 -7.567 1.00 14.52 H new ATOM 1720 N TRP A 115 -0.928 0.727 -1.367 1.00 4.43 N ATOM 1721 CA TRP A 115 -1.283 2.153 -1.137 1.00 22.54 C ATOM 1722 C TRP A 115 -0.040 2.999 -0.789 1.00 11.32 C ATOM 1723 O TRP A 115 0.956 2.496 -0.259 1.00 15.43 O ATOM 1724 CB TRP A 115 -2.326 2.300 0.011 1.00 62.05 C ATOM 1725 CG TRP A 115 -3.691 1.737 -0.298 1.00 22.32 C ATOM 1726 CD1 TRP A 115 -4.216 0.546 0.117 1.00 14.02 C ATOM 1727 CD2 TRP A 115 -4.707 2.359 -1.098 1.00 53.33 C ATOM 1728 NE1 TRP A 115 -5.489 0.402 -0.369 1.00 21.42 N ATOM 1729 CE2 TRP A 115 -5.811 1.495 -1.119 1.00 72.13 C ATOM 1730 CE3 TRP A 115 -4.784 3.564 -1.803 1.00 23.22 C ATOM 1731 CZ2 TRP A 115 -6.982 1.798 -1.806 1.00 12.13 C ATOM 1732 CZ3 TRP A 115 -5.945 3.863 -2.484 1.00 73.23 C ATOM 1733 CH2 TRP A 115 -7.029 2.981 -2.485 1.00 34.41 C ATOM 0 H TRP A 115 -0.509 0.291 -0.546 1.00 4.43 H new ATOM 0 HA TRP A 115 -1.715 2.518 -2.069 1.00 22.54 H new ATOM 0 HB2 TRP A 115 -1.938 1.805 0.901 1.00 62.05 H new ATOM 0 HB3 TRP A 115 -2.431 3.357 0.254 1.00 62.05 H new ATOM 0 HD1 TRP A 115 -3.704 -0.175 0.736 1.00 14.02 H new ATOM 0 HE1 TRP A 115 -6.100 -0.397 -0.197 1.00 21.42 H new ATOM 0 HE3 TRP A 115 -3.949 4.249 -1.814 1.00 23.22 H new ATOM 0 HZ2 TRP A 115 -7.824 1.121 -1.802 1.00 12.13 H new ATOM 0 HZ3 TRP A 115 -6.018 4.794 -3.026 1.00 73.23 H new ATOM 0 HH2 TRP A 115 -7.922 3.241 -3.034 1.00 34.41 H new ATOM 1744 N VAL A 116 -0.146 4.293 -1.099 1.00 5.42 N ATOM 1745 CA VAL A 116 0.795 5.346 -0.649 1.00 12.30 C ATOM 1746 C VAL A 116 -0.006 6.469 0.035 1.00 61.11 C ATOM 1747 O VAL A 116 -1.204 6.588 -0.187 1.00 5.32 O ATOM 1748 CB VAL A 116 1.655 5.941 -1.835 1.00 44.30 C ATOM 1749 CG1 VAL A 116 2.687 4.908 -2.361 1.00 31.22 C ATOM 1750 CG2 VAL A 116 0.750 6.460 -2.986 1.00 20.24 C ATOM 0 H VAL A 116 -0.901 4.656 -1.682 1.00 5.42 H new ATOM 0 HA VAL A 116 1.497 4.892 0.051 1.00 12.30 H new ATOM 0 HB VAL A 116 2.210 6.792 -1.439 1.00 44.30 H new ATOM 0 HG11 VAL A 116 3.261 5.350 -3.176 1.00 31.22 H new ATOM 0 HG12 VAL A 116 3.362 4.624 -1.553 1.00 31.22 H new ATOM 0 HG13 VAL A 116 2.164 4.023 -2.724 1.00 31.22 H new ATOM 0 HG21 VAL A 116 1.373 6.862 -3.785 1.00 20.24 H new ATOM 0 HG22 VAL A 116 0.148 5.639 -3.374 1.00 20.24 H new ATOM 0 HG23 VAL A 116 0.094 7.244 -2.608 1.00 20.24 H new ATOM 1760 N THR A 117 0.643 7.268 0.883 1.00 30.12 N ATOM 1761 CA THR A 117 -0.007 8.425 1.558 1.00 22.14 C ATOM 1762 C THR A 117 0.444 9.765 0.951 1.00 44.23 C ATOM 1763 O THR A 117 1.311 9.811 0.072 1.00 43.41 O ATOM 1764 CB THR A 117 0.274 8.427 3.102 1.00 74.13 C ATOM 1765 OG1 THR A 117 1.687 8.331 3.353 1.00 73.13 O ATOM 1766 CG2 THR A 117 -0.461 7.282 3.818 1.00 45.50 C ATOM 0 H THR A 117 1.625 7.145 1.129 1.00 30.12 H new ATOM 0 HA THR A 117 -1.079 8.313 1.398 1.00 22.14 H new ATOM 0 HB THR A 117 -0.103 9.369 3.500 1.00 74.13 H new ATOM 0 HG1 THR A 117 2.021 7.471 3.021 1.00 73.13 H new ATOM 0 HG21 THR A 117 -0.240 7.319 4.885 1.00 45.50 H new ATOM 0 HG22 THR A 117 -1.535 7.388 3.666 1.00 45.50 H new ATOM 0 HG23 THR A 117 -0.130 6.326 3.412 1.00 45.50 H new ATOM 1774 N GLU A 118 -0.164 10.866 1.436 1.00 21.01 N ATOM 1775 CA GLU A 118 0.221 12.240 1.040 1.00 75.23 C ATOM 1776 C GLU A 118 1.639 12.587 1.568 1.00 34.43 C ATOM 1777 O GLU A 118 2.353 13.415 0.992 1.00 62.14 O ATOM 1778 CB GLU A 118 -0.831 13.252 1.572 1.00 33.13 C ATOM 1779 CG GLU A 118 -0.727 14.659 0.961 1.00 30.54 C ATOM 1780 CD GLU A 118 -1.792 15.635 1.479 1.00 21.23 C ATOM 1781 OE1 GLU A 118 -1.707 16.036 2.657 1.00 41.13 O ATOM 1782 OE2 GLU A 118 -2.702 16.028 0.707 1.00 61.22 O ATOM 0 H GLU A 118 -0.930 10.831 2.108 1.00 21.01 H new ATOM 0 HA GLU A 118 0.248 12.301 -0.048 1.00 75.23 H new ATOM 0 HB2 GLU A 118 -1.828 12.857 1.376 1.00 33.13 H new ATOM 0 HB3 GLU A 118 -0.726 13.331 2.654 1.00 33.13 H new ATOM 0 HG2 GLU A 118 0.261 15.066 1.174 1.00 30.54 H new ATOM 0 HG3 GLU A 118 -0.813 14.582 -0.123 1.00 30.54 H new ATOM 1789 N ASP A 119 2.024 11.925 2.674 1.00 42.22 N ATOM 1790 CA ASP A 119 3.393 11.977 3.235 1.00 23.33 C ATOM 1791 C ASP A 119 4.440 11.383 2.240 1.00 73.04 C ATOM 1792 O ASP A 119 5.606 11.795 2.217 1.00 42.45 O ATOM 1793 CB ASP A 119 3.404 11.202 4.575 1.00 40.11 C ATOM 1794 CG ASP A 119 4.744 11.282 5.321 1.00 25.32 C ATOM 1795 OD1 ASP A 119 5.077 12.374 5.832 1.00 24.41 O ATOM 1796 OD2 ASP A 119 5.462 10.259 5.407 1.00 25.41 O ATOM 0 H ASP A 119 1.390 11.333 3.211 1.00 42.22 H new ATOM 0 HA ASP A 119 3.674 13.016 3.406 1.00 23.33 H new ATOM 0 HB2 ASP A 119 2.616 11.594 5.218 1.00 40.11 H new ATOM 0 HB3 ASP A 119 3.167 10.156 4.382 1.00 40.11 H new ATOM 1801 N GLU A 120 3.985 10.426 1.406 1.00 14.51 N ATOM 1802 CA GLU A 120 4.834 9.704 0.428 1.00 11.10 C ATOM 1803 C GLU A 120 4.726 10.287 -1.003 1.00 61.31 C ATOM 1804 O GLU A 120 5.322 9.741 -1.935 1.00 54.52 O ATOM 1805 CB GLU A 120 4.436 8.207 0.426 1.00 12.32 C ATOM 1806 CG GLU A 120 4.615 7.519 1.788 1.00 43.41 C ATOM 1807 CD GLU A 120 4.171 6.054 1.791 1.00 65.12 C ATOM 1808 OE1 GLU A 120 2.987 5.807 2.047 1.00 53.44 O ATOM 1809 OE2 GLU A 120 5.006 5.152 1.565 1.00 45.22 O ATOM 0 H GLU A 120 3.010 10.128 1.390 1.00 14.51 H new ATOM 0 HA GLU A 120 5.873 9.823 0.735 1.00 11.10 H new ATOM 0 HB2 GLU A 120 3.394 8.117 0.118 1.00 12.32 H new ATOM 0 HB3 GLU A 120 5.035 7.682 -0.318 1.00 12.32 H new ATOM 0 HG2 GLU A 120 5.664 7.574 2.080 1.00 43.41 H new ATOM 0 HG3 GLU A 120 4.046 8.065 2.540 1.00 43.41 H new ATOM 1816 N LEU A 121 3.965 11.387 -1.179 1.00 20.35 N ATOM 1817 CA LEU A 121 3.812 12.075 -2.490 1.00 3.30 C ATOM 1818 C LEU A 121 4.160 13.583 -2.381 1.00 33.23 C ATOM 1819 O LEU A 121 3.859 14.227 -1.378 1.00 74.41 O ATOM 1820 CB LEU A 121 2.357 11.916 -3.022 1.00 13.22 C ATOM 1821 CG LEU A 121 1.869 10.456 -3.294 1.00 2.12 C ATOM 1822 CD1 LEU A 121 0.389 10.437 -3.728 1.00 62.32 C ATOM 1823 CD2 LEU A 121 2.762 9.742 -4.339 1.00 52.25 C ATOM 0 H LEU A 121 3.439 11.826 -0.424 1.00 20.35 H new ATOM 0 HA LEU A 121 4.507 11.608 -3.188 1.00 3.30 H new ATOM 0 HB2 LEU A 121 1.679 12.374 -2.302 1.00 13.22 H new ATOM 0 HB3 LEU A 121 2.269 12.483 -3.949 1.00 13.22 H new ATOM 0 HG LEU A 121 1.954 9.904 -2.358 1.00 2.12 H new ATOM 0 HD11 LEU A 121 0.077 9.409 -3.910 1.00 62.32 H new ATOM 0 HD12 LEU A 121 -0.227 10.869 -2.939 1.00 62.32 H new ATOM 0 HD13 LEU A 121 0.270 11.020 -4.641 1.00 62.32 H new ATOM 0 HD21 LEU A 121 2.392 8.730 -4.502 1.00 52.25 H new ATOM 0 HD22 LEU A 121 2.735 10.294 -5.278 1.00 52.25 H new ATOM 0 HD23 LEU A 121 3.788 9.699 -3.973 1.00 52.25 H new ATOM 1835 N SER A 122 4.801 14.123 -3.426 1.00 54.24 N ATOM 1836 CA SER A 122 5.074 15.575 -3.582 1.00 3.15 C ATOM 1837 C SER A 122 4.615 16.005 -4.988 1.00 55.02 C ATOM 1838 O SER A 122 5.147 15.516 -5.971 1.00 52.43 O ATOM 1839 CB SER A 122 6.593 15.852 -3.393 1.00 72.23 C ATOM 1840 OG SER A 122 7.401 15.099 -4.301 1.00 75.20 O ATOM 0 H SER A 122 5.153 13.563 -4.203 1.00 54.24 H new ATOM 0 HA SER A 122 4.531 16.146 -2.829 1.00 3.15 H new ATOM 0 HB2 SER A 122 6.786 16.915 -3.535 1.00 72.23 H new ATOM 0 HB3 SER A 122 6.879 15.610 -2.369 1.00 72.23 H new ATOM 0 HG SER A 122 6.882 14.892 -5.106 1.00 75.20 H new ATOM 1846 N ALA A 123 3.663 16.945 -5.101 1.00 43.53 N ATOM 1847 CA ALA A 123 2.985 17.213 -6.391 1.00 62.34 C ATOM 1848 C ALA A 123 3.770 18.215 -7.277 1.00 54.41 C ATOM 1849 O ALA A 123 3.746 19.413 -7.019 1.00 1.30 O ATOM 1850 CB ALA A 123 1.550 17.712 -6.124 1.00 63.45 C ATOM 0 H ALA A 123 3.344 17.529 -4.328 1.00 43.53 H new ATOM 0 HA ALA A 123 2.945 16.279 -6.951 1.00 62.34 H new ATOM 0 HB1 ALA A 123 1.051 17.909 -7.073 1.00 63.45 H new ATOM 0 HB2 ALA A 123 0.996 16.951 -5.574 1.00 63.45 H new ATOM 0 HB3 ALA A 123 1.587 18.629 -5.536 1.00 63.45 H new ATOM 1856 N LYS A 124 4.428 17.675 -8.327 1.00 55.14 N ATOM 1857 CA LYS A 124 5.121 18.425 -9.421 1.00 22.14 C ATOM 1858 C LYS A 124 6.360 19.289 -8.993 1.00 30.24 C ATOM 1859 O LYS A 124 7.463 19.078 -9.525 1.00 54.30 O ATOM 1860 CB LYS A 124 4.114 19.279 -10.243 1.00 2.23 C ATOM 1861 CG LYS A 124 4.732 20.011 -11.463 1.00 63.42 C ATOM 1862 CD LYS A 124 5.355 19.033 -12.490 1.00 75.21 C ATOM 1863 CE LYS A 124 6.077 19.760 -13.640 1.00 74.24 C ATOM 1864 NZ LYS A 124 5.183 20.691 -14.379 1.00 3.03 N ATOM 0 H LYS A 124 4.499 16.665 -8.449 1.00 55.14 H new ATOM 0 HA LYS A 124 5.544 17.638 -10.046 1.00 22.14 H new ATOM 0 HB2 LYS A 124 3.310 18.631 -10.594 1.00 2.23 H new ATOM 0 HB3 LYS A 124 3.662 20.019 -9.583 1.00 2.23 H new ATOM 0 HG2 LYS A 124 3.962 20.606 -11.954 1.00 63.42 H new ATOM 0 HG3 LYS A 124 5.498 20.705 -11.116 1.00 63.42 H new ATOM 0 HD2 LYS A 124 6.061 18.378 -11.980 1.00 75.21 H new ATOM 0 HD3 LYS A 124 4.571 18.398 -12.902 1.00 75.21 H new ATOM 0 HE2 LYS A 124 6.923 20.317 -13.238 1.00 74.24 H new ATOM 0 HE3 LYS A 124 6.481 19.023 -14.334 1.00 74.24 H new ATOM 0 HZ1 LYS A 124 5.704 21.116 -15.173 1.00 3.03 H new ATOM 0 HZ2 LYS A 124 4.362 20.167 -14.744 1.00 3.03 H new ATOM 0 HZ3 LYS A 124 4.857 21.442 -13.738 1.00 3.03 H new ATOM 1878 N LEU A 125 6.166 20.272 -8.082 1.00 53.20 N ATOM 1879 CA LEU A 125 7.176 21.317 -7.745 1.00 31.32 C ATOM 1880 C LEU A 125 8.549 20.739 -7.308 1.00 12.34 C ATOM 1881 O LEU A 125 8.626 19.675 -6.674 1.00 33.14 O ATOM 1882 CB LEU A 125 6.631 22.303 -6.650 1.00 65.31 C ATOM 1883 CG LEU A 125 6.675 21.849 -5.141 1.00 71.12 C ATOM 1884 CD1 LEU A 125 6.197 22.989 -4.211 1.00 31.24 C ATOM 1885 CD2 LEU A 125 5.859 20.558 -4.881 1.00 10.13 C ATOM 0 H LEU A 125 5.299 20.367 -7.553 1.00 53.20 H new ATOM 0 HA LEU A 125 7.348 21.865 -8.671 1.00 31.32 H new ATOM 0 HB2 LEU A 125 7.192 23.234 -6.733 1.00 65.31 H new ATOM 0 HB3 LEU A 125 5.595 22.533 -6.897 1.00 65.31 H new ATOM 0 HG LEU A 125 7.716 21.618 -4.914 1.00 71.12 H new ATOM 0 HD11 LEU A 125 6.236 22.653 -3.175 1.00 31.24 H new ATOM 0 HD12 LEU A 125 6.845 23.856 -4.336 1.00 31.24 H new ATOM 0 HD13 LEU A 125 5.173 23.261 -4.466 1.00 31.24 H new ATOM 0 HD21 LEU A 125 5.925 20.292 -3.826 1.00 10.13 H new ATOM 0 HD22 LEU A 125 4.816 20.727 -5.148 1.00 10.13 H new ATOM 0 HD23 LEU A 125 6.261 19.745 -5.486 1.00 10.13 H new ATOM 1897 N GLU A 126 9.622 21.453 -7.705 1.00 51.14 N ATOM 1898 CA GLU A 126 11.023 21.144 -7.335 1.00 44.11 C ATOM 1899 C GLU A 126 11.483 19.715 -7.747 1.00 4.44 C ATOM 1900 O GLU A 126 12.409 19.174 -7.152 1.00 13.44 O ATOM 1901 CB GLU A 126 11.254 21.395 -5.806 1.00 53.24 C ATOM 1902 CG GLU A 126 10.938 22.831 -5.326 1.00 60.54 C ATOM 1903 CD GLU A 126 11.743 23.920 -6.065 1.00 70.22 C ATOM 1904 OE1 GLU A 126 12.942 24.105 -5.751 1.00 73.41 O ATOM 1905 OE2 GLU A 126 11.185 24.592 -6.966 1.00 64.44 O ATOM 0 H GLU A 126 9.540 22.276 -8.302 1.00 51.14 H new ATOM 0 HA GLU A 126 11.648 21.827 -7.909 1.00 44.11 H new ATOM 0 HB2 GLU A 126 10.638 20.695 -5.241 1.00 53.24 H new ATOM 0 HB3 GLU A 126 12.294 21.169 -5.569 1.00 53.24 H new ATOM 0 HG2 GLU A 126 9.874 23.024 -5.460 1.00 60.54 H new ATOM 0 HG3 GLU A 126 11.143 22.901 -4.258 1.00 60.54 H new ATOM 1912 N HIS A 127 10.860 19.144 -8.801 1.00 74.12 N ATOM 1913 CA HIS A 127 11.242 17.815 -9.369 1.00 51.11 C ATOM 1914 C HIS A 127 12.769 17.716 -9.687 1.00 24.10 C ATOM 1915 O HIS A 127 13.395 18.737 -10.008 1.00 11.11 O ATOM 1916 CB HIS A 127 10.381 17.513 -10.623 1.00 31.10 C ATOM 1917 CG HIS A 127 10.444 18.575 -11.692 1.00 3.03 C ATOM 1918 ND1 HIS A 127 9.612 19.676 -11.710 1.00 23.41 N ATOM 1919 CD2 HIS A 127 11.249 18.705 -12.777 1.00 5.40 C ATOM 1920 CE1 HIS A 127 9.909 20.433 -12.747 1.00 14.11 C ATOM 1921 NE2 HIS A 127 10.894 19.868 -13.410 1.00 10.24 N ATOM 0 H HIS A 127 10.079 19.584 -9.287 1.00 74.12 H new ATOM 0 HA HIS A 127 11.042 17.058 -8.611 1.00 51.11 H new ATOM 0 HB2 HIS A 127 10.704 16.564 -11.051 1.00 31.10 H new ATOM 0 HB3 HIS A 127 9.343 17.386 -10.314 1.00 31.10 H new ATOM 0 HD1 HIS A 127 8.881 19.873 -11.027 1.00 23.41 H new ATOM 0 HD2 HIS A 127 12.025 18.020 -13.084 1.00 5.40 H new ATOM 0 HE1 HIS A 127 9.424 21.362 -13.009 1.00 14.11 H new ATOM 1930 N HIS A 128 13.321 16.468 -9.601 1.00 62.24 N ATOM 1931 CA HIS A 128 14.795 16.167 -9.510 1.00 30.41 C ATOM 1932 C HIS A 128 15.310 16.348 -8.040 1.00 62.00 C ATOM 1933 O HIS A 128 16.504 16.190 -7.751 1.00 25.12 O ATOM 1934 CB HIS A 128 15.641 16.978 -10.557 1.00 23.55 C ATOM 1935 CG HIS A 128 17.124 16.661 -10.597 1.00 65.34 C ATOM 1936 ND1 HIS A 128 18.080 17.448 -9.981 1.00 72.23 N ATOM 1937 CD2 HIS A 128 17.806 15.635 -11.162 1.00 61.44 C ATOM 1938 CE1 HIS A 128 19.270 16.920 -10.159 1.00 54.22 C ATOM 1939 NE2 HIS A 128 19.136 15.822 -10.870 1.00 51.51 N ATOM 0 H HIS A 128 12.748 15.624 -9.592 1.00 62.24 H new ATOM 0 HA HIS A 128 14.935 15.119 -9.776 1.00 30.41 H new ATOM 0 HB2 HIS A 128 15.224 16.800 -11.548 1.00 23.55 H new ATOM 0 HB3 HIS A 128 15.522 18.041 -10.347 1.00 23.55 H new ATOM 0 HD2 HIS A 128 17.383 14.823 -11.735 1.00 61.44 H new ATOM 0 HE1 HIS A 128 20.201 17.320 -9.785 1.00 54.22 H new ATOM 0 HE2 HIS A 128 19.897 15.207 -11.159 1.00 51.51 H new ATOM 1948 N HIS A 129 14.372 16.638 -7.111 1.00 73.45 N ATOM 1949 CA HIS A 129 14.636 16.722 -5.655 1.00 52.04 C ATOM 1950 C HIS A 129 15.021 15.328 -5.103 1.00 4.03 C ATOM 1951 O HIS A 129 14.147 14.495 -4.824 1.00 42.05 O ATOM 1952 CB HIS A 129 13.368 17.283 -4.944 1.00 61.52 C ATOM 1953 CG HIS A 129 13.450 17.435 -3.445 1.00 22.20 C ATOM 1954 ND1 HIS A 129 12.625 16.754 -2.574 1.00 44.53 N ATOM 1955 CD2 HIS A 129 14.221 18.234 -2.669 1.00 12.13 C ATOM 1956 CE1 HIS A 129 12.884 17.126 -1.340 1.00 31.31 C ATOM 1957 NE2 HIS A 129 13.848 18.019 -1.367 1.00 1.44 N ATOM 0 H HIS A 129 13.398 16.823 -7.353 1.00 73.45 H new ATOM 0 HA HIS A 129 15.473 17.394 -5.464 1.00 52.04 H new ATOM 0 HB2 HIS A 129 13.139 18.258 -5.374 1.00 61.52 H new ATOM 0 HB3 HIS A 129 12.529 16.627 -5.175 1.00 61.52 H new ATOM 0 HD2 HIS A 129 14.987 18.914 -3.012 1.00 12.13 H new ATOM 0 HE1 HIS A 129 12.388 16.760 -0.453 1.00 31.31 H new ATOM 0 HE2 HIS A 129 14.253 18.478 -0.551 1.00 1.44 H new ATOM 1966 N HIS A 130 16.340 15.067 -5.002 1.00 34.53 N ATOM 1967 CA HIS A 130 16.869 13.763 -4.552 1.00 30.55 C ATOM 1968 C HIS A 130 16.513 13.475 -3.068 1.00 63.13 C ATOM 1969 O HIS A 130 16.476 14.390 -2.236 1.00 35.24 O ATOM 1970 CB HIS A 130 18.403 13.694 -4.788 1.00 41.52 C ATOM 1971 CG HIS A 130 19.226 14.658 -3.963 1.00 34.14 C ATOM 1972 ND1 HIS A 130 19.533 15.938 -4.374 1.00 65.14 N ATOM 1973 CD2 HIS A 130 19.815 14.513 -2.748 1.00 62.42 C ATOM 1974 CE1 HIS A 130 20.262 16.531 -3.453 1.00 63.34 C ATOM 1975 NE2 HIS A 130 20.449 15.692 -2.458 1.00 63.31 N ATOM 0 H HIS A 130 17.064 15.749 -5.228 1.00 34.53 H new ATOM 0 HA HIS A 130 16.392 12.984 -5.147 1.00 30.55 H new ATOM 0 HB2 HIS A 130 18.742 12.680 -4.577 1.00 41.52 H new ATOM 0 HB3 HIS A 130 18.601 13.883 -5.843 1.00 41.52 H new ATOM 0 HD2 HIS A 130 19.788 13.631 -2.125 1.00 62.42 H new ATOM 0 HE1 HIS A 130 20.644 17.540 -3.506 1.00 63.34 H new ATOM 0 HE2 HIS A 130 20.979 15.887 -1.609 1.00 63.31 H new ATOM 1984 N HIS A 131 16.260 12.193 -2.762 1.00 61.43 N ATOM 1985 CA HIS A 131 15.838 11.746 -1.416 1.00 43.02 C ATOM 1986 C HIS A 131 16.161 10.252 -1.198 1.00 32.10 C ATOM 1987 O HIS A 131 16.235 9.477 -2.161 1.00 53.53 O ATOM 1988 CB HIS A 131 14.326 12.040 -1.191 1.00 70.51 C ATOM 1989 CG HIS A 131 13.413 11.576 -2.301 1.00 51.03 C ATOM 1990 ND1 HIS A 131 12.934 12.419 -3.284 1.00 12.01 N ATOM 1991 CD2 HIS A 131 12.881 10.364 -2.571 1.00 21.01 C ATOM 1992 CE1 HIS A 131 12.155 11.749 -4.103 1.00 11.44 C ATOM 1993 NE2 HIS A 131 12.104 10.502 -3.695 1.00 35.55 N ATOM 0 H HIS A 131 16.341 11.433 -3.438 1.00 61.43 H new ATOM 0 HA HIS A 131 16.404 12.312 -0.676 1.00 43.02 H new ATOM 0 HB2 HIS A 131 14.013 11.565 -0.261 1.00 70.51 H new ATOM 0 HB3 HIS A 131 14.196 13.114 -1.059 1.00 70.51 H new ATOM 0 HD1 HIS A 131 13.152 13.412 -3.363 1.00 12.01 H new ATOM 0 HD2 HIS A 131 13.038 9.456 -2.008 1.00 21.01 H new ATOM 0 HE1 HIS A 131 11.644 12.154 -4.964 1.00 11.44 H new ATOM 2002 N HIS A 132 16.340 9.872 0.084 1.00 24.12 N ATOM 2003 CA HIS A 132 16.763 8.508 0.489 1.00 11.23 C ATOM 2004 C HIS A 132 15.691 7.432 0.124 1.00 11.44 C ATOM 2005 O HIS A 132 14.593 7.440 0.734 1.00 37.57 O ATOM 2006 CB HIS A 132 17.067 8.473 2.016 1.00 13.41 C ATOM 2007 CG HIS A 132 18.029 9.539 2.485 1.00 35.32 C ATOM 2008 ND1 HIS A 132 17.619 10.659 3.178 1.00 61.41 N ATOM 2009 CD2 HIS A 132 19.375 9.654 2.369 1.00 72.32 C ATOM 2010 CE1 HIS A 132 18.658 11.410 3.465 1.00 44.43 C ATOM 2011 NE2 HIS A 132 19.737 10.828 2.988 1.00 52.33 N ATOM 2012 OXT HIS A 132 15.966 6.570 -0.748 1.00 37.57 O ATOM 0 H HIS A 132 16.196 10.502 0.873 1.00 24.12 H new ATOM 0 HA HIS A 132 17.670 8.265 -0.065 1.00 11.23 H new ATOM 0 HB2 HIS A 132 16.130 8.580 2.563 1.00 13.41 H new ATOM 0 HB3 HIS A 132 17.475 7.495 2.271 1.00 13.41 H new ATOM 0 HD2 HIS A 132 20.039 8.955 1.882 1.00 72.32 H new ATOM 0 HE1 HIS A 132 18.631 12.347 4.002 1.00 44.43 H new ATOM 0 HE2 HIS A 132 20.688 11.189 3.065 1.00 52.33 H new TER 2021 HIS A 132