USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 905 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 59 SER OG : rot -178:sc= 1.08 USER MOD Set 1.2: A 62 GLN : amide:sc= -0.269 K(o=0.82,f=1.6) USER MOD Set 2.1: A 43 ASN : amide:sc= -1.44! K(o=-5.4!,f=-1.7) USER MOD Set 2.2: A 79 CYS SG : rot 140:sc= -1.15! USER MOD Set 2.3: A 82 HIS : no HE2:sc= -2.84 K(o=-5.4,f=-16!) USER MOD Set 3.1: A 30 ASN : amide:sc= 0.123 K(o=0.62,f=-1.2) USER MOD Set 3.2: A 32 GLN : amide:sc= 0.499 K(o=0.62,f=-0.73) USER MOD Set 4.1: A 14 GLN : amide:sc= 0.79 K(o=-1.8,f=-1.3) USER MOD Set 4.2: A 15 ASN : amide:sc= -2.64! K(o=-1.8!,f=-0.47) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.102 (180deg=-0.561) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 4 THR OG1 : rot -160:sc= 0.022 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0.911 (180deg=0.692) USER MOD Single : A 25 THR OG1 : rot -129:sc= 0.274 USER MOD Single : A 27 HIS : no HE2:sc= 0.949 K(o=0.95,f=-3.1!) USER MOD Single : A 28 LYS NZ :NH3+ 142:sc= -1.86! (180deg=-4.17!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.945 K(o=-0.94,f=-0.0072) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -163:sc= -0.074 (180deg=-0.467) USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= 1.19 (180deg=0.865) USER MOD Single : A 58 ASN : amide:sc= -0.434 K(o=-0.43,f=-3.3!) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= -0.0661 (180deg=-0.298) USER MOD Single : A 67 MET CE :methyl 151:sc= 0 (180deg=-0.775) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 0.812 (180deg=-1.19!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= -0.0319 (180deg=-0.249) USER MOD Single : A 89 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.02) USER MOD Single : A 90 SER OG : rot 36:sc= 1.02 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.254 K(o=0.25,f=-4.5!) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= -0.0175 (180deg=-0.213) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -165:sc= 1.25 (180deg=0.902) USER MOD Single : A 100 THR OG1 : rot -17:sc= 0.816 USER MOD Single : A 106 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.7!) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 111 HIS : no HD1:sc=-0.00952 X(o=-0.0095,f=-0.0043) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.394 -21.731 -3.019 1.00 52.44 N ATOM 2 CA MET A 1 16.014 -21.574 -3.557 1.00 31.02 C ATOM 3 C MET A 1 15.216 -20.540 -2.745 1.00 13.14 C ATOM 4 O MET A 1 15.262 -20.542 -1.514 1.00 33.42 O ATOM 5 CB MET A 1 15.279 -22.924 -3.548 1.00 33.40 C ATOM 6 CG MET A 1 13.881 -22.875 -4.155 1.00 2.33 C ATOM 7 SD MET A 1 13.059 -24.481 -4.153 1.00 24.11 S ATOM 8 CE MET A 1 12.977 -24.828 -2.398 1.00 54.33 C ATOM 0 H1 MET A 1 17.910 -22.434 -3.586 1.00 52.44 H new ATOM 0 H2 MET A 1 17.890 -20.818 -3.065 1.00 52.44 H new ATOM 0 H3 MET A 1 17.347 -22.050 -2.030 1.00 52.44 H new ATOM 0 HA MET A 1 16.095 -21.217 -4.584 1.00 31.02 H new ATOM 0 HB2 MET A 1 15.876 -23.654 -4.095 1.00 33.40 H new ATOM 0 HB3 MET A 1 15.205 -23.279 -2.520 1.00 33.40 H new ATOM 0 HG2 MET A 1 13.274 -22.161 -3.599 1.00 2.33 H new ATOM 0 HG3 MET A 1 13.948 -22.508 -5.179 1.00 2.33 H new ATOM 0 HE1 MET A 1 12.220 -25.591 -2.213 1.00 54.33 H new ATOM 0 HE2 MET A 1 13.946 -25.187 -2.052 1.00 54.33 H new ATOM 0 HE3 MET A 1 12.714 -23.918 -1.859 1.00 54.33 H new ATOM 20 N LYS A 2 14.483 -19.670 -3.444 1.00 2.33 N ATOM 21 CA LYS A 2 13.691 -18.606 -2.808 1.00 43.01 C ATOM 22 C LYS A 2 14.603 -17.598 -2.079 1.00 41.10 C ATOM 23 O LYS A 2 14.663 -17.562 -0.846 1.00 54.13 O ATOM 24 CB LYS A 2 12.653 -19.197 -1.837 1.00 43.14 C ATOM 25 CG LYS A 2 11.653 -18.177 -1.294 1.00 34.44 C ATOM 26 CD LYS A 2 10.776 -18.769 -0.195 1.00 42.11 C ATOM 27 CE LYS A 2 10.021 -20.007 -0.664 1.00 45.41 C ATOM 28 NZ LYS A 2 9.209 -20.608 0.428 1.00 24.23 N ATOM 0 H LYS A 2 14.419 -19.680 -4.462 1.00 2.33 H new ATOM 0 HA LYS A 2 13.157 -18.074 -3.595 1.00 43.01 H new ATOM 0 HB2 LYS A 2 12.106 -19.990 -2.346 1.00 43.14 H new ATOM 0 HB3 LYS A 2 13.176 -19.658 -0.999 1.00 43.14 H new ATOM 0 HG2 LYS A 2 12.191 -17.314 -0.903 1.00 34.44 H new ATOM 0 HG3 LYS A 2 11.023 -17.818 -2.108 1.00 34.44 H new ATOM 0 HD2 LYS A 2 11.397 -19.028 0.663 1.00 42.11 H new ATOM 0 HD3 LYS A 2 10.063 -18.017 0.143 1.00 42.11 H new ATOM 0 HE2 LYS A 2 9.370 -19.741 -1.497 1.00 45.41 H new ATOM 0 HE3 LYS A 2 10.731 -20.745 -1.037 1.00 45.41 H new ATOM 0 HZ1 LYS A 2 8.711 -21.447 0.069 1.00 24.23 H new ATOM 0 HZ2 LYS A 2 9.833 -20.885 1.212 1.00 24.23 H new ATOM 0 HZ3 LYS A 2 8.514 -19.912 0.767 1.00 24.23 H new ATOM 42 N ASN A 3 15.332 -16.803 -2.857 1.00 5.30 N ATOM 43 CA ASN A 3 16.262 -15.814 -2.308 1.00 72.43 C ATOM 44 C ASN A 3 16.572 -14.706 -3.328 1.00 71.11 C ATOM 45 O ASN A 3 17.127 -14.966 -4.398 1.00 64.23 O ATOM 46 CB ASN A 3 17.568 -16.499 -1.873 1.00 32.25 C ATOM 47 CG ASN A 3 18.618 -15.523 -1.359 1.00 14.53 C ATOM 48 OD1 ASN A 3 19.806 -15.711 -1.582 1.00 23.11 O ATOM 49 ND2 ASN A 3 18.200 -14.485 -0.658 1.00 62.11 N ATOM 0 H ASN A 3 15.298 -16.823 -3.876 1.00 5.30 H new ATOM 0 HA ASN A 3 15.785 -15.355 -1.442 1.00 72.43 H new ATOM 0 HB2 ASN A 3 17.346 -17.227 -1.093 1.00 32.25 H new ATOM 0 HB3 ASN A 3 17.979 -17.052 -2.718 1.00 32.25 H new ATOM 0 HD21 ASN A 3 18.874 -13.815 -0.287 1.00 62.11 H new ATOM 0 HD22 ASN A 3 17.203 -14.353 -0.487 1.00 62.11 H new ATOM 56 N THR A 4 16.207 -13.474 -2.991 1.00 22.24 N ATOM 57 CA THR A 4 16.554 -12.306 -3.813 1.00 42.22 C ATOM 58 C THR A 4 17.608 -11.436 -3.112 1.00 22.41 C ATOM 59 O THR A 4 17.534 -11.220 -1.901 1.00 60.31 O ATOM 60 CB THR A 4 15.311 -11.439 -4.143 1.00 12.31 C ATOM 61 OG1 THR A 4 15.702 -10.264 -4.867 1.00 33.12 O ATOM 62 CG2 THR A 4 14.558 -11.032 -2.881 1.00 14.11 C ATOM 0 H THR A 4 15.669 -13.251 -2.153 1.00 22.24 H new ATOM 0 HA THR A 4 16.963 -12.691 -4.747 1.00 42.22 H new ATOM 0 HB THR A 4 14.645 -12.044 -4.758 1.00 12.31 H new ATOM 0 HG1 THR A 4 14.998 -9.586 -4.796 1.00 33.12 H new ATOM 0 HG21 THR A 4 13.694 -10.426 -3.153 1.00 14.11 H new ATOM 0 HG22 THR A 4 14.223 -11.925 -2.353 1.00 14.11 H new ATOM 0 HG23 THR A 4 15.218 -10.454 -2.234 1.00 14.11 H new ATOM 70 N GLY A 5 18.587 -10.944 -3.873 1.00 52.24 N ATOM 71 CA GLY A 5 19.672 -10.156 -3.292 1.00 23.24 C ATOM 72 C GLY A 5 19.236 -8.771 -2.825 1.00 24.20 C ATOM 73 O GLY A 5 19.837 -8.199 -1.912 1.00 63.35 O ATOM 0 H GLY A 5 18.650 -11.076 -4.882 1.00 52.24 H new ATOM 0 HA2 GLY A 5 20.093 -10.700 -2.446 1.00 23.24 H new ATOM 0 HA3 GLY A 5 20.467 -10.048 -4.029 1.00 23.24 H new ATOM 77 N ASP A 6 18.201 -8.225 -3.458 1.00 11.34 N ATOM 78 CA ASP A 6 17.673 -6.908 -3.089 1.00 31.21 C ATOM 79 C ASP A 6 16.671 -7.002 -1.922 1.00 13.34 C ATOM 80 O ASP A 6 15.812 -7.884 -1.885 1.00 32.31 O ATOM 81 CB ASP A 6 17.023 -6.233 -4.306 1.00 2.50 C ATOM 82 CG ASP A 6 15.992 -7.113 -4.996 1.00 42.53 C ATOM 83 OD1 ASP A 6 14.888 -7.299 -4.446 1.00 60.42 O ATOM 84 OD2 ASP A 6 16.280 -7.632 -6.096 1.00 2.21 O ATOM 0 H ASP A 6 17.708 -8.673 -4.231 1.00 11.34 H new ATOM 0 HA ASP A 6 18.511 -6.297 -2.752 1.00 31.21 H new ATOM 0 HB2 ASP A 6 16.546 -5.306 -3.988 1.00 2.50 H new ATOM 0 HB3 ASP A 6 17.799 -5.963 -5.022 1.00 2.50 H new ATOM 89 N GLU A 7 16.808 -6.095 -0.959 1.00 14.03 N ATOM 90 CA GLU A 7 15.868 -5.999 0.166 1.00 21.14 C ATOM 91 C GLU A 7 15.041 -4.709 0.074 1.00 4.31 C ATOM 92 O GLU A 7 15.579 -3.609 0.205 1.00 43.44 O ATOM 93 CB GLU A 7 16.627 -6.055 1.500 1.00 30.30 C ATOM 94 CG GLU A 7 17.305 -7.399 1.750 1.00 64.23 C ATOM 95 CD GLU A 7 18.116 -7.432 3.036 1.00 74.03 C ATOM 96 OE1 GLU A 7 17.512 -7.562 4.121 1.00 54.10 O ATOM 97 OE2 GLU A 7 19.362 -7.354 2.968 1.00 14.35 O ATOM 0 H GLU A 7 17.563 -5.410 -0.931 1.00 14.03 H new ATOM 0 HA GLU A 7 15.185 -6.847 0.117 1.00 21.14 H new ATOM 0 HB2 GLU A 7 17.380 -5.267 1.515 1.00 30.30 H new ATOM 0 HB3 GLU A 7 15.933 -5.849 2.315 1.00 30.30 H new ATOM 0 HG2 GLU A 7 16.546 -8.180 1.787 1.00 64.23 H new ATOM 0 HG3 GLU A 7 17.959 -7.630 0.910 1.00 64.23 H new ATOM 104 N VAL A 8 13.733 -4.850 -0.162 1.00 53.42 N ATOM 105 CA VAL A 8 12.843 -3.692 -0.351 1.00 3.13 C ATOM 106 C VAL A 8 11.664 -3.682 0.644 1.00 64.41 C ATOM 107 O VAL A 8 11.128 -4.732 1.016 1.00 44.24 O ATOM 108 CB VAL A 8 12.287 -3.647 -1.802 1.00 50.53 C ATOM 109 CG1 VAL A 8 13.417 -3.450 -2.812 1.00 63.02 C ATOM 110 CG2 VAL A 8 11.493 -4.913 -2.120 1.00 10.23 C ATOM 0 H VAL A 8 13.264 -5.753 -0.227 1.00 53.42 H new ATOM 0 HA VAL A 8 13.452 -2.808 -0.162 1.00 3.13 H new ATOM 0 HB VAL A 8 11.612 -2.795 -1.877 1.00 50.53 H new ATOM 0 HG11 VAL A 8 13.003 -3.422 -3.820 1.00 63.02 H new ATOM 0 HG12 VAL A 8 13.931 -2.512 -2.604 1.00 63.02 H new ATOM 0 HG13 VAL A 8 14.124 -4.276 -2.733 1.00 63.02 H new ATOM 0 HG21 VAL A 8 11.114 -4.858 -3.141 1.00 10.23 H new ATOM 0 HG22 VAL A 8 12.141 -5.784 -2.020 1.00 10.23 H new ATOM 0 HG23 VAL A 8 10.657 -5.002 -1.427 1.00 10.23 H new ATOM 120 N VAL A 9 11.268 -2.479 1.063 1.00 63.15 N ATOM 121 CA VAL A 9 10.134 -2.284 1.978 1.00 53.31 C ATOM 122 C VAL A 9 9.071 -1.357 1.362 1.00 62.22 C ATOM 123 O VAL A 9 9.397 -0.387 0.673 1.00 34.41 O ATOM 124 CB VAL A 9 10.593 -1.688 3.339 1.00 3.43 C ATOM 125 CG1 VAL A 9 11.470 -2.682 4.097 1.00 54.51 C ATOM 126 CG2 VAL A 9 11.328 -0.360 3.135 1.00 13.23 C ATOM 0 H VAL A 9 11.722 -1.611 0.780 1.00 63.15 H new ATOM 0 HA VAL A 9 9.700 -3.269 2.148 1.00 53.31 H new ATOM 0 HB VAL A 9 9.704 -1.492 3.939 1.00 3.43 H new ATOM 0 HG11 VAL A 9 11.780 -2.244 5.046 1.00 54.51 H new ATOM 0 HG12 VAL A 9 10.905 -3.595 4.286 1.00 54.51 H new ATOM 0 HG13 VAL A 9 12.352 -2.917 3.501 1.00 54.51 H new ATOM 0 HG21 VAL A 9 11.639 0.036 4.102 1.00 13.23 H new ATOM 0 HG22 VAL A 9 12.206 -0.522 2.510 1.00 13.23 H new ATOM 0 HG23 VAL A 9 10.663 0.353 2.648 1.00 13.23 H new ATOM 136 N ALA A 10 7.803 -1.670 1.605 1.00 3.22 N ATOM 137 CA ALA A 10 6.688 -0.838 1.142 1.00 14.42 C ATOM 138 C ALA A 10 6.263 0.165 2.227 1.00 34.41 C ATOM 139 O ALA A 10 5.755 -0.223 3.281 1.00 34.51 O ATOM 140 CB ALA A 10 5.509 -1.718 0.736 1.00 41.23 C ATOM 0 H ALA A 10 7.516 -2.500 2.124 1.00 3.22 H new ATOM 0 HA ALA A 10 7.020 -0.272 0.272 1.00 14.42 H new ATOM 0 HB1 ALA A 10 4.687 -1.090 0.394 1.00 41.23 H new ATOM 0 HB2 ALA A 10 5.814 -2.386 -0.069 1.00 41.23 H new ATOM 0 HB3 ALA A 10 5.183 -2.307 1.593 1.00 41.23 H new ATOM 146 N ILE A 11 6.486 1.450 1.969 1.00 33.01 N ATOM 147 CA ILE A 11 6.126 2.513 2.914 1.00 73.30 C ATOM 148 C ILE A 11 4.751 3.114 2.585 1.00 33.45 C ATOM 149 O ILE A 11 4.563 3.712 1.525 1.00 2.25 O ATOM 150 CB ILE A 11 7.178 3.650 2.900 1.00 12.10 C ATOM 151 CG1 ILE A 11 8.584 3.094 3.175 1.00 33.22 C ATOM 152 CG2 ILE A 11 6.820 4.743 3.911 1.00 22.43 C ATOM 153 CD1 ILE A 11 8.737 2.426 4.522 1.00 4.12 C ATOM 0 H ILE A 11 6.917 1.787 1.108 1.00 33.01 H new ATOM 0 HA ILE A 11 6.092 2.056 3.903 1.00 73.30 H new ATOM 0 HB ILE A 11 7.176 4.098 1.906 1.00 12.10 H new ATOM 0 HG12 ILE A 11 8.836 2.375 2.395 1.00 33.22 H new ATOM 0 HG13 ILE A 11 9.305 3.909 3.103 1.00 33.22 H new ATOM 0 HG21 ILE A 11 7.575 5.529 3.880 1.00 22.43 H new ATOM 0 HG22 ILE A 11 5.847 5.165 3.661 1.00 22.43 H new ATOM 0 HG23 ILE A 11 6.783 4.314 4.912 1.00 22.43 H new ATOM 0 HD11 ILE A 11 9.759 2.063 4.634 1.00 4.12 H new ATOM 0 HD12 ILE A 11 8.519 3.145 5.312 1.00 4.12 H new ATOM 0 HD13 ILE A 11 8.044 1.588 4.593 1.00 4.12 H new ATOM 165 N ILE A 12 3.797 2.950 3.496 1.00 30.42 N ATOM 166 CA ILE A 12 2.452 3.509 3.331 1.00 43.40 C ATOM 167 C ILE A 12 2.279 4.789 4.168 1.00 23.22 C ATOM 168 O ILE A 12 2.371 4.756 5.400 1.00 0.50 O ATOM 169 CB ILE A 12 1.343 2.496 3.737 1.00 10.10 C ATOM 170 CG1 ILE A 12 1.384 1.220 2.870 1.00 65.52 C ATOM 171 CG2 ILE A 12 -0.033 3.152 3.642 1.00 44.35 C ATOM 172 CD1 ILE A 12 2.540 0.284 3.175 1.00 73.40 C ATOM 0 H ILE A 12 3.929 2.431 4.364 1.00 30.42 H new ATOM 0 HA ILE A 12 2.345 3.741 2.271 1.00 43.40 H new ATOM 0 HB ILE A 12 1.531 2.200 4.769 1.00 10.10 H new ATOM 0 HG12 ILE A 12 0.449 0.676 3.003 1.00 65.52 H new ATOM 0 HG13 ILE A 12 1.437 1.511 1.821 1.00 65.52 H new ATOM 0 HG21 ILE A 12 -0.800 2.432 3.929 1.00 44.35 H new ATOM 0 HG22 ILE A 12 -0.073 4.011 4.311 1.00 44.35 H new ATOM 0 HG23 ILE A 12 -0.209 3.481 2.618 1.00 44.35 H new ATOM 0 HD11 ILE A 12 2.488 -0.584 2.518 1.00 73.40 H new ATOM 0 HD12 ILE A 12 3.483 0.806 3.013 1.00 73.40 H new ATOM 0 HD13 ILE A 12 2.480 -0.042 4.213 1.00 73.40 H new ATOM 184 N SER A 13 2.018 5.910 3.495 1.00 13.25 N ATOM 185 CA SER A 13 1.802 7.198 4.174 1.00 21.33 C ATOM 186 C SER A 13 0.386 7.735 3.929 1.00 33.44 C ATOM 187 O SER A 13 -0.128 7.672 2.816 1.00 51.44 O ATOM 188 CB SER A 13 2.830 8.236 3.698 1.00 11.35 C ATOM 189 OG SER A 13 4.150 7.874 4.075 1.00 25.04 O ATOM 0 H SER A 13 1.950 5.957 2.478 1.00 13.25 H new ATOM 0 HA SER A 13 1.925 7.025 5.243 1.00 21.33 H new ATOM 0 HB2 SER A 13 2.774 8.334 2.614 1.00 11.35 H new ATOM 0 HB3 SER A 13 2.585 9.211 4.119 1.00 11.35 H new ATOM 0 HG SER A 13 4.779 8.554 3.756 1.00 25.04 H new ATOM 195 N GLN A 14 -0.236 8.270 4.976 1.00 23.34 N ATOM 196 CA GLN A 14 -1.564 8.892 4.875 1.00 44.43 C ATOM 197 C GLN A 14 -1.582 10.232 5.633 1.00 65.45 C ATOM 198 O GLN A 14 -0.954 10.359 6.682 1.00 51.32 O ATOM 199 CB GLN A 14 -2.644 7.956 5.443 1.00 11.04 C ATOM 200 CG GLN A 14 -4.066 8.502 5.321 1.00 41.31 C ATOM 201 CD GLN A 14 -5.086 7.676 6.086 1.00 62.22 C ATOM 202 OE1 GLN A 14 -5.339 7.915 7.263 1.00 4.44 O ATOM 203 NE2 GLN A 14 -5.687 6.706 5.431 1.00 41.24 N ATOM 0 H GLN A 14 0.159 8.288 5.916 1.00 23.34 H new ATOM 0 HA GLN A 14 -1.778 9.075 3.822 1.00 44.43 H new ATOM 0 HB2 GLN A 14 -2.588 6.998 4.926 1.00 11.04 H new ATOM 0 HB3 GLN A 14 -2.428 7.765 6.494 1.00 11.04 H new ATOM 0 HG2 GLN A 14 -4.088 9.528 5.688 1.00 41.31 H new ATOM 0 HG3 GLN A 14 -4.348 8.534 4.269 1.00 41.31 H new ATOM 0 HE21 GLN A 14 -5.456 6.531 4.453 1.00 41.24 H new ATOM 0 HE22 GLN A 14 -6.384 6.129 5.901 1.00 41.24 H new ATOM 212 N ASN A 15 -2.287 11.230 5.092 1.00 61.15 N ATOM 213 CA ASN A 15 -2.344 12.572 5.704 1.00 74.33 C ATOM 214 C ASN A 15 -0.937 13.175 5.894 1.00 61.31 C ATOM 215 O ASN A 15 -0.676 13.887 6.867 1.00 55.21 O ATOM 216 CB ASN A 15 -3.081 12.537 7.056 1.00 21.21 C ATOM 217 CG ASN A 15 -4.562 12.235 6.917 1.00 34.24 C ATOM 218 OD1 ASN A 15 -5.370 13.128 6.686 1.00 13.12 O ATOM 219 ND2 ASN A 15 -4.936 10.987 7.086 1.00 65.12 N ATOM 0 H ASN A 15 -2.828 11.140 4.232 1.00 61.15 H new ATOM 0 HA ASN A 15 -2.899 13.208 5.015 1.00 74.33 H new ATOM 0 HB2 ASN A 15 -2.621 11.783 7.695 1.00 21.21 H new ATOM 0 HB3 ASN A 15 -2.957 13.498 7.556 1.00 21.21 H new ATOM 0 HD21 ASN A 15 -5.923 10.738 7.026 1.00 65.12 H new ATOM 0 HD22 ASN A 15 -4.239 10.267 7.277 1.00 65.12 H new ATOM 226 N GLY A 16 -0.036 12.883 4.956 1.00 25.32 N ATOM 227 CA GLY A 16 1.316 13.440 4.999 1.00 11.32 C ATOM 228 C GLY A 16 2.200 12.849 6.098 1.00 32.13 C ATOM 229 O GLY A 16 3.187 13.464 6.505 1.00 63.32 O ATOM 0 H GLY A 16 -0.216 12.268 4.162 1.00 25.32 H new ATOM 0 HA2 GLY A 16 1.796 13.276 4.034 1.00 11.32 H new ATOM 0 HA3 GLY A 16 1.249 14.518 5.142 1.00 11.32 H new ATOM 233 N LYS A 17 1.850 11.660 6.581 1.00 72.21 N ATOM 234 CA LYS A 17 2.633 10.987 7.627 1.00 12.40 C ATOM 235 C LYS A 17 2.647 9.462 7.428 1.00 3.23 C ATOM 236 O LYS A 17 1.655 8.873 6.992 1.00 11.13 O ATOM 237 CB LYS A 17 2.069 11.345 9.011 1.00 53.41 C ATOM 238 CG LYS A 17 0.597 10.979 9.192 1.00 50.00 C ATOM 239 CD LYS A 17 0.045 11.461 10.533 1.00 1.15 C ATOM 240 CE LYS A 17 0.049 12.984 10.639 1.00 12.21 C ATOM 241 NZ LYS A 17 -0.811 13.624 9.602 1.00 42.35 N ATOM 0 H LYS A 17 1.031 11.139 6.269 1.00 72.21 H new ATOM 0 HA LYS A 17 3.664 11.335 7.558 1.00 12.40 H new ATOM 0 HB2 LYS A 17 2.657 10.836 9.775 1.00 53.41 H new ATOM 0 HB3 LYS A 17 2.190 12.416 9.176 1.00 53.41 H new ATOM 0 HG2 LYS A 17 0.013 11.416 8.382 1.00 50.00 H new ATOM 0 HG3 LYS A 17 0.481 9.897 9.121 1.00 50.00 H new ATOM 0 HD2 LYS A 17 -0.973 11.091 10.660 1.00 1.15 H new ATOM 0 HD3 LYS A 17 0.641 11.040 11.343 1.00 1.15 H new ATOM 0 HE2 LYS A 17 -0.299 13.278 11.629 1.00 12.21 H new ATOM 0 HE3 LYS A 17 1.070 13.351 10.538 1.00 12.21 H new ATOM 0 HZ1 LYS A 17 -0.914 14.637 9.813 1.00 42.35 H new ATOM 0 HZ2 LYS A 17 -0.371 13.508 8.667 1.00 42.35 H new ATOM 0 HZ3 LYS A 17 -1.748 13.173 9.602 1.00 42.35 H new ATOM 255 N VAL A 18 3.778 8.827 7.739 1.00 23.32 N ATOM 256 CA VAL A 18 3.915 7.373 7.590 1.00 43.31 C ATOM 257 C VAL A 18 3.022 6.623 8.591 1.00 13.22 C ATOM 258 O VAL A 18 3.112 6.837 9.803 1.00 11.32 O ATOM 259 CB VAL A 18 5.385 6.915 7.778 1.00 35.32 C ATOM 260 CG1 VAL A 18 5.510 5.402 7.597 1.00 60.31 C ATOM 261 CG2 VAL A 18 6.312 7.658 6.813 1.00 62.13 C ATOM 0 H VAL A 18 4.612 9.293 8.095 1.00 23.32 H new ATOM 0 HA VAL A 18 3.598 7.132 6.575 1.00 43.31 H new ATOM 0 HB VAL A 18 5.689 7.159 8.796 1.00 35.32 H new ATOM 0 HG11 VAL A 18 6.550 5.104 7.733 1.00 60.31 H new ATOM 0 HG12 VAL A 18 4.887 4.895 8.334 1.00 60.31 H new ATOM 0 HG13 VAL A 18 5.182 5.127 6.594 1.00 60.31 H new ATOM 0 HG21 VAL A 18 7.338 7.321 6.962 1.00 62.13 H new ATOM 0 HG22 VAL A 18 6.008 7.453 5.786 1.00 62.13 H new ATOM 0 HG23 VAL A 18 6.251 8.730 7.002 1.00 62.13 H new ATOM 271 N ILE A 19 2.159 5.744 8.080 1.00 15.04 N ATOM 272 CA ILE A 19 1.242 4.977 8.934 1.00 13.44 C ATOM 273 C ILE A 19 1.587 3.478 8.970 1.00 24.34 C ATOM 274 O ILE A 19 1.176 2.767 9.886 1.00 42.21 O ATOM 275 CB ILE A 19 -0.231 5.139 8.479 1.00 11.14 C ATOM 276 CG1 ILE A 19 -0.426 4.585 7.057 1.00 11.31 C ATOM 277 CG2 ILE A 19 -0.654 6.607 8.554 1.00 32.32 C ATOM 278 CD1 ILE A 19 -1.866 4.592 6.586 1.00 41.23 C ATOM 0 H ILE A 19 2.073 5.544 7.084 1.00 15.04 H new ATOM 0 HA ILE A 19 1.362 5.387 9.937 1.00 13.44 H new ATOM 0 HB ILE A 19 -0.866 4.565 9.154 1.00 11.14 H new ATOM 0 HG12 ILE A 19 0.175 5.173 6.363 1.00 11.31 H new ATOM 0 HG13 ILE A 19 -0.047 3.564 7.021 1.00 11.31 H new ATOM 0 HG21 ILE A 19 -1.691 6.704 8.231 1.00 32.32 H new ATOM 0 HG22 ILE A 19 -0.559 6.961 9.580 1.00 32.32 H new ATOM 0 HG23 ILE A 19 -0.014 7.204 7.904 1.00 32.32 H new ATOM 0 HD11 ILE A 19 -1.920 4.187 5.576 1.00 41.23 H new ATOM 0 HD12 ILE A 19 -2.471 3.980 7.255 1.00 41.23 H new ATOM 0 HD13 ILE A 19 -2.244 5.614 6.588 1.00 41.23 H new ATOM 290 N ARG A 20 2.335 2.995 7.977 1.00 42.14 N ATOM 291 CA ARG A 20 2.690 1.571 7.918 1.00 52.54 C ATOM 292 C ARG A 20 3.946 1.326 7.066 1.00 24.42 C ATOM 293 O ARG A 20 4.185 2.019 6.081 1.00 24.24 O ATOM 294 CB ARG A 20 1.512 0.757 7.349 1.00 73.53 C ATOM 295 CG ARG A 20 1.705 -0.759 7.429 1.00 15.31 C ATOM 296 CD ARG A 20 1.674 -1.263 8.872 1.00 71.32 C ATOM 297 NE ARG A 20 0.367 -1.057 9.493 1.00 42.22 N ATOM 298 CZ ARG A 20 0.151 -1.026 10.779 1.00 20.31 C ATOM 299 NH1 ARG A 20 1.128 -1.167 11.621 1.00 55.31 N ATOM 300 NH2 ARG A 20 -1.049 -0.855 11.221 1.00 43.43 N ATOM 0 H ARG A 20 2.704 3.558 7.211 1.00 42.14 H new ATOM 0 HA ARG A 20 2.908 1.246 8.935 1.00 52.54 H new ATOM 0 HB2 ARG A 20 0.604 1.026 7.889 1.00 73.53 H new ATOM 0 HB3 ARG A 20 1.359 1.039 6.307 1.00 73.53 H new ATOM 0 HG2 ARG A 20 0.923 -1.255 6.854 1.00 15.31 H new ATOM 0 HG3 ARG A 20 2.657 -1.028 6.971 1.00 15.31 H new ATOM 0 HD2 ARG A 20 1.922 -2.324 8.891 1.00 71.32 H new ATOM 0 HD3 ARG A 20 2.438 -0.747 9.453 1.00 71.32 H new ATOM 0 HE ARG A 20 -0.435 -0.928 8.876 1.00 42.22 H new ATOM 0 HH11 ARG A 20 2.079 -1.304 11.280 1.00 55.31 H new ATOM 0 HH12 ARG A 20 0.945 -1.141 12.624 1.00 55.31 H new ATOM 0 HH21 ARG A 20 -1.823 -0.745 10.566 1.00 43.43 H new ATOM 0 HH22 ARG A 20 -1.224 -0.830 12.226 1.00 43.43 H new ATOM 314 N GLU A 21 4.749 0.339 7.467 1.00 10.21 N ATOM 315 CA GLU A 21 5.899 -0.118 6.669 1.00 74.43 C ATOM 316 C GLU A 21 6.003 -1.654 6.683 1.00 41.52 C ATOM 317 O GLU A 21 6.032 -2.273 7.745 1.00 72.54 O ATOM 318 CB GLU A 21 7.216 0.527 7.166 1.00 54.31 C ATOM 319 CG GLU A 21 7.216 0.976 8.629 1.00 30.21 C ATOM 320 CD GLU A 21 6.996 -0.155 9.623 1.00 14.13 C ATOM 321 OE1 GLU A 21 7.937 -0.945 9.855 1.00 25.15 O ATOM 322 OE2 GLU A 21 5.882 -0.248 10.188 1.00 14.51 O ATOM 0 H GLU A 21 4.627 -0.165 8.345 1.00 10.21 H new ATOM 0 HA GLU A 21 5.737 0.202 5.640 1.00 74.43 H new ATOM 0 HB2 GLU A 21 8.027 -0.187 7.023 1.00 54.31 H new ATOM 0 HB3 GLU A 21 7.437 1.390 6.539 1.00 54.31 H new ATOM 0 HG2 GLU A 21 8.167 1.460 8.850 1.00 30.21 H new ATOM 0 HG3 GLU A 21 6.437 1.725 8.768 1.00 30.21 H new ATOM 329 N ILE A 22 6.034 -2.269 5.499 1.00 14.01 N ATOM 330 CA ILE A 22 6.086 -3.738 5.390 1.00 60.13 C ATOM 331 C ILE A 22 7.249 -4.216 4.501 1.00 23.41 C ATOM 332 O ILE A 22 7.364 -3.807 3.346 1.00 13.14 O ATOM 333 CB ILE A 22 4.756 -4.295 4.816 1.00 14.43 C ATOM 334 CG1 ILE A 22 3.576 -3.909 5.725 1.00 24.42 C ATOM 335 CG2 ILE A 22 4.828 -5.816 4.639 1.00 42.51 C ATOM 336 CD1 ILE A 22 2.231 -4.346 5.192 1.00 2.12 C ATOM 0 H ILE A 22 6.024 -1.781 4.604 1.00 14.01 H new ATOM 0 HA ILE A 22 6.244 -4.117 6.400 1.00 60.13 H new ATOM 0 HB ILE A 22 4.597 -3.850 3.834 1.00 14.43 H new ATOM 0 HG12 ILE A 22 3.728 -4.351 6.710 1.00 24.42 H new ATOM 0 HG13 ILE A 22 3.570 -2.827 5.858 1.00 24.42 H new ATOM 0 HG21 ILE A 22 3.883 -6.180 4.235 1.00 42.51 H new ATOM 0 HG22 ILE A 22 5.636 -6.064 3.951 1.00 42.51 H new ATOM 0 HG23 ILE A 22 5.016 -6.286 5.604 1.00 42.51 H new ATOM 0 HD11 ILE A 22 1.448 -4.040 5.885 1.00 2.12 H new ATOM 0 HD12 ILE A 22 2.057 -3.884 4.220 1.00 2.12 H new ATOM 0 HD13 ILE A 22 2.217 -5.431 5.085 1.00 2.12 H new ATOM 348 N PRO A 23 8.127 -5.095 5.025 1.00 1.24 N ATOM 349 CA PRO A 23 9.225 -5.688 4.244 1.00 53.22 C ATOM 350 C PRO A 23 8.726 -6.753 3.250 1.00 51.43 C ATOM 351 O PRO A 23 8.173 -7.778 3.653 1.00 24.10 O ATOM 352 CB PRO A 23 10.136 -6.330 5.314 1.00 74.24 C ATOM 353 CG PRO A 23 9.592 -5.883 6.637 1.00 54.51 C ATOM 354 CD PRO A 23 8.138 -5.580 6.411 1.00 13.23 C ATOM 0 HA PRO A 23 9.733 -4.942 3.633 1.00 53.22 H new ATOM 0 HB2 PRO A 23 10.126 -7.417 5.235 1.00 74.24 H new ATOM 0 HB3 PRO A 23 11.171 -6.011 5.189 1.00 74.24 H new ATOM 0 HG2 PRO A 23 9.715 -6.660 7.391 1.00 54.51 H new ATOM 0 HG3 PRO A 23 10.122 -5.002 6.998 1.00 54.51 H new ATOM 0 HD2 PRO A 23 7.515 -6.465 6.536 1.00 13.23 H new ATOM 0 HD3 PRO A 23 7.767 -4.828 7.107 1.00 13.23 H new ATOM 362 N LEU A 24 8.917 -6.509 1.954 1.00 64.45 N ATOM 363 CA LEU A 24 8.492 -7.461 0.918 1.00 42.05 C ATOM 364 C LEU A 24 9.499 -8.613 0.777 1.00 73.53 C ATOM 365 O LEU A 24 9.123 -9.786 0.741 1.00 71.10 O ATOM 366 CB LEU A 24 8.327 -6.739 -0.427 1.00 1.04 C ATOM 367 CG LEU A 24 7.298 -5.593 -0.440 1.00 42.43 C ATOM 368 CD1 LEU A 24 7.244 -4.929 -1.814 1.00 43.42 C ATOM 369 CD2 LEU A 24 5.913 -6.100 -0.031 1.00 10.14 C ATOM 0 H LEU A 24 9.361 -5.665 1.593 1.00 64.45 H new ATOM 0 HA LEU A 24 7.533 -7.883 1.219 1.00 42.05 H new ATOM 0 HB2 LEU A 24 9.296 -6.338 -0.726 1.00 1.04 H new ATOM 0 HB3 LEU A 24 8.039 -7.472 -1.181 1.00 1.04 H new ATOM 0 HG LEU A 24 7.615 -4.846 0.288 1.00 42.43 H new ATOM 0 HD11 LEU A 24 6.511 -4.123 -1.800 1.00 43.42 H new ATOM 0 HD12 LEU A 24 8.225 -4.523 -2.061 1.00 43.42 H new ATOM 0 HD13 LEU A 24 6.958 -5.667 -2.564 1.00 43.42 H new ATOM 0 HD21 LEU A 24 5.203 -5.273 -0.048 1.00 10.14 H new ATOM 0 HD22 LEU A 24 5.587 -6.872 -0.729 1.00 10.14 H new ATOM 0 HD23 LEU A 24 5.961 -6.517 0.975 1.00 10.14 H new ATOM 381 N THR A 25 10.778 -8.261 0.705 1.00 5.55 N ATOM 382 CA THR A 25 11.860 -9.247 0.577 1.00 14.21 C ATOM 383 C THR A 25 11.875 -10.241 1.748 1.00 73.04 C ATOM 384 O THR A 25 12.080 -9.855 2.900 1.00 44.14 O ATOM 385 CB THR A 25 13.240 -8.552 0.505 1.00 50.44 C ATOM 386 OG1 THR A 25 13.278 -7.647 -0.612 1.00 31.44 O ATOM 387 CG2 THR A 25 14.368 -9.572 0.380 1.00 45.00 C ATOM 0 H THR A 25 11.099 -7.293 0.733 1.00 5.55 H new ATOM 0 HA THR A 25 11.669 -9.792 -0.348 1.00 14.21 H new ATOM 0 HB THR A 25 13.384 -7.995 1.431 1.00 50.44 H new ATOM 0 HG1 THR A 25 14.075 -7.828 -1.152 1.00 31.44 H new ATOM 0 HG21 THR A 25 15.325 -9.052 0.332 1.00 45.00 H new ATOM 0 HG22 THR A 25 14.358 -10.234 1.246 1.00 45.00 H new ATOM 0 HG23 THR A 25 14.228 -10.160 -0.527 1.00 45.00 H new ATOM 395 N GLY A 26 11.659 -11.519 1.448 1.00 14.40 N ATOM 396 CA GLY A 26 11.697 -12.557 2.478 1.00 72.44 C ATOM 397 C GLY A 26 10.378 -12.721 3.235 1.00 4.34 C ATOM 398 O GLY A 26 10.286 -13.523 4.168 1.00 3.33 O ATOM 0 H GLY A 26 11.457 -11.860 0.508 1.00 14.40 H new ATOM 0 HA2 GLY A 26 11.960 -13.508 2.014 1.00 72.44 H new ATOM 0 HA3 GLY A 26 12.488 -12.321 3.190 1.00 72.44 H new ATOM 402 N HIS A 27 9.355 -11.965 2.837 1.00 34.41 N ATOM 403 CA HIS A 27 8.040 -12.049 3.479 1.00 2.04 C ATOM 404 C HIS A 27 7.328 -13.369 3.132 1.00 20.42 C ATOM 405 O HIS A 27 7.216 -13.748 1.965 1.00 12.40 O ATOM 406 CB HIS A 27 7.165 -10.854 3.073 1.00 31.13 C ATOM 407 CG HIS A 27 5.754 -10.941 3.577 1.00 65.21 C ATOM 408 ND1 HIS A 27 4.690 -11.278 2.771 1.00 30.31 N ATOM 409 CD2 HIS A 27 5.236 -10.742 4.813 1.00 40.33 C ATOM 410 CE1 HIS A 27 3.582 -11.284 3.483 1.00 33.23 C ATOM 411 NE2 HIS A 27 3.882 -10.965 4.725 1.00 1.02 N ATOM 0 H HIS A 27 9.409 -11.289 2.075 1.00 34.41 H new ATOM 0 HA HIS A 27 8.197 -12.023 4.557 1.00 2.04 H new ATOM 0 HB2 HIS A 27 7.620 -9.938 3.449 1.00 31.13 H new ATOM 0 HB3 HIS A 27 7.149 -10.779 1.986 1.00 31.13 H new ATOM 0 HD1 HIS A 27 4.750 -11.490 1.775 1.00 30.31 H new ATOM 0 HD2 HIS A 27 5.784 -10.461 5.700 1.00 40.33 H new ATOM 0 HE1 HIS A 27 2.594 -11.512 3.111 1.00 33.23 H new ATOM 420 N LYS A 28 6.848 -14.063 4.159 1.00 22.11 N ATOM 421 CA LYS A 28 6.127 -15.328 3.978 1.00 22.15 C ATOM 422 C LYS A 28 4.603 -15.119 3.997 1.00 11.42 C ATOM 423 O LYS A 28 4.097 -14.220 4.672 1.00 44.12 O ATOM 424 CB LYS A 28 6.535 -16.327 5.075 1.00 43.04 C ATOM 425 CG LYS A 28 6.326 -15.805 6.496 1.00 51.04 C ATOM 426 CD LYS A 28 6.784 -16.802 7.566 1.00 34.13 C ATOM 427 CE LYS A 28 5.826 -17.985 7.723 1.00 51.42 C ATOM 428 NZ LYS A 28 5.810 -18.884 6.538 1.00 64.24 N ATOM 0 H LYS A 28 6.944 -13.773 5.132 1.00 22.11 H new ATOM 0 HA LYS A 28 6.396 -15.730 3.001 1.00 22.15 H new ATOM 0 HB2 LYS A 28 5.962 -17.245 4.948 1.00 43.04 H new ATOM 0 HB3 LYS A 28 7.586 -16.586 4.944 1.00 43.04 H new ATOM 0 HG2 LYS A 28 6.872 -14.870 6.619 1.00 51.04 H new ATOM 0 HG3 LYS A 28 5.270 -15.579 6.644 1.00 51.04 H new ATOM 0 HD2 LYS A 28 7.775 -17.175 7.308 1.00 34.13 H new ATOM 0 HD3 LYS A 28 6.876 -16.286 8.522 1.00 34.13 H new ATOM 0 HE2 LYS A 28 6.110 -18.560 8.604 1.00 51.42 H new ATOM 0 HE3 LYS A 28 4.819 -17.608 7.899 1.00 51.42 H new ATOM 0 HZ1 LYS A 28 5.729 -19.872 6.853 1.00 64.24 H new ATOM 0 HZ2 LYS A 28 4.999 -18.646 5.932 1.00 64.24 H new ATOM 0 HZ3 LYS A 28 6.691 -18.764 5.999 1.00 64.24 H new ATOM 442 N GLY A 29 3.887 -15.946 3.240 1.00 52.51 N ATOM 443 CA GLY A 29 2.428 -15.914 3.245 1.00 60.00 C ATOM 444 C GLY A 29 1.811 -14.703 2.548 1.00 51.31 C ATOM 445 O GLY A 29 2.476 -13.984 1.792 1.00 12.52 O ATOM 0 H GLY A 29 4.292 -16.645 2.617 1.00 52.51 H new ATOM 0 HA2 GLY A 29 2.057 -16.820 2.765 1.00 60.00 H new ATOM 0 HA3 GLY A 29 2.082 -15.936 4.278 1.00 60.00 H new ATOM 449 N ASN A 30 0.522 -14.487 2.808 1.00 44.22 N ATOM 450 CA ASN A 30 -0.230 -13.370 2.233 1.00 30.23 C ATOM 451 C ASN A 30 -0.751 -12.444 3.347 1.00 2.33 C ATOM 452 O ASN A 30 -1.423 -12.893 4.280 1.00 54.02 O ATOM 453 CB ASN A 30 -1.397 -13.911 1.397 1.00 43.12 C ATOM 454 CG ASN A 30 -2.170 -12.818 0.679 1.00 13.45 C ATOM 455 OD1 ASN A 30 -3.112 -12.247 1.215 1.00 3.53 O ATOM 456 ND2 ASN A 30 -1.785 -12.524 -0.545 1.00 22.35 N ATOM 0 H ASN A 30 -0.032 -15.082 3.424 1.00 44.22 H new ATOM 0 HA ASN A 30 0.431 -12.790 1.588 1.00 30.23 H new ATOM 0 HB2 ASN A 30 -1.013 -14.619 0.663 1.00 43.12 H new ATOM 0 HB3 ASN A 30 -2.077 -14.463 2.046 1.00 43.12 H new ATOM 0 HD21 ASN A 30 -2.275 -11.803 -1.074 1.00 22.35 H new ATOM 0 HD22 ASN A 30 -0.997 -13.017 -0.964 1.00 22.35 H new ATOM 463 N GLU A 31 -0.437 -11.156 3.249 1.00 22.03 N ATOM 464 CA GLU A 31 -0.804 -10.182 4.284 1.00 20.33 C ATOM 465 C GLU A 31 -1.741 -9.095 3.729 1.00 32.20 C ATOM 466 O GLU A 31 -1.400 -8.399 2.775 1.00 12.10 O ATOM 467 CB GLU A 31 0.465 -9.538 4.862 1.00 5.24 C ATOM 468 CG GLU A 31 0.210 -8.607 6.046 1.00 23.40 C ATOM 469 CD GLU A 31 -0.483 -9.310 7.207 1.00 2.40 C ATOM 470 OE1 GLU A 31 0.107 -10.248 7.782 1.00 24.23 O ATOM 471 OE2 GLU A 31 -1.618 -8.928 7.553 1.00 51.32 O ATOM 0 H GLU A 31 0.073 -10.756 2.461 1.00 22.03 H new ATOM 0 HA GLU A 31 -1.339 -10.711 5.073 1.00 20.33 H new ATOM 0 HB2 GLU A 31 1.149 -10.327 5.175 1.00 5.24 H new ATOM 0 HB3 GLU A 31 0.966 -8.976 4.073 1.00 5.24 H new ATOM 0 HG2 GLU A 31 1.159 -8.195 6.390 1.00 23.40 H new ATOM 0 HG3 GLU A 31 -0.402 -7.767 5.717 1.00 23.40 H new ATOM 478 N GLN A 32 -2.920 -8.952 4.332 1.00 75.23 N ATOM 479 CA GLN A 32 -3.901 -7.953 3.892 1.00 14.32 C ATOM 480 C GLN A 32 -4.232 -6.954 5.013 1.00 42.33 C ATOM 481 O GLN A 32 -4.368 -7.332 6.180 1.00 54.11 O ATOM 482 CB GLN A 32 -5.182 -8.653 3.407 1.00 1.13 C ATOM 483 CG GLN A 32 -4.965 -9.543 2.186 1.00 74.44 C ATOM 484 CD GLN A 32 -6.210 -10.301 1.760 1.00 14.45 C ATOM 485 OE1 GLN A 32 -7.333 -9.844 1.946 1.00 72.21 O ATOM 486 NE2 GLN A 32 -6.019 -11.466 1.177 1.00 74.44 N ATOM 0 H GLN A 32 -3.222 -9.514 5.128 1.00 75.23 H new ATOM 0 HA GLN A 32 -3.462 -7.391 3.067 1.00 14.32 H new ATOM 0 HB2 GLN A 32 -5.586 -9.257 4.219 1.00 1.13 H new ATOM 0 HB3 GLN A 32 -5.931 -7.898 3.168 1.00 1.13 H new ATOM 0 HG2 GLN A 32 -4.621 -8.928 1.354 1.00 74.44 H new ATOM 0 HG3 GLN A 32 -4.171 -10.257 2.403 1.00 74.44 H new ATOM 0 HE21 GLN A 32 -5.072 -11.817 1.037 1.00 74.44 H new ATOM 0 HE22 GLN A 32 -6.818 -12.017 0.865 1.00 74.44 H new ATOM 495 N PHE A 33 -4.354 -5.675 4.650 1.00 31.44 N ATOM 496 CA PHE A 33 -4.679 -4.614 5.612 1.00 2.15 C ATOM 497 C PHE A 33 -5.463 -3.475 4.940 1.00 54.22 C ATOM 498 O PHE A 33 -5.210 -3.124 3.782 1.00 11.44 O ATOM 499 CB PHE A 33 -3.398 -4.074 6.276 1.00 31.32 C ATOM 500 CG PHE A 33 -2.412 -3.439 5.324 1.00 51.41 C ATOM 501 CD1 PHE A 33 -1.569 -4.224 4.548 1.00 71.11 C ATOM 502 CD2 PHE A 33 -2.319 -2.056 5.214 1.00 42.13 C ATOM 503 CE1 PHE A 33 -0.658 -3.645 3.686 1.00 23.42 C ATOM 504 CE2 PHE A 33 -1.409 -1.476 4.352 1.00 5.22 C ATOM 505 CZ PHE A 33 -0.577 -2.269 3.589 1.00 44.45 C ATOM 0 H PHE A 33 -4.232 -5.346 3.692 1.00 31.44 H new ATOM 0 HA PHE A 33 -5.314 -5.046 6.386 1.00 2.15 H new ATOM 0 HB2 PHE A 33 -3.678 -3.339 7.030 1.00 31.32 H new ATOM 0 HB3 PHE A 33 -2.903 -4.893 6.798 1.00 31.32 H new ATOM 0 HD1 PHE A 33 -1.626 -5.300 4.619 1.00 71.11 H new ATOM 0 HD2 PHE A 33 -2.966 -1.428 5.809 1.00 42.13 H new ATOM 0 HE1 PHE A 33 -0.009 -4.268 3.088 1.00 23.42 H new ATOM 0 HE2 PHE A 33 -1.349 -0.400 4.275 1.00 5.22 H new ATOM 0 HZ PHE A 33 0.136 -1.815 2.917 1.00 44.45 H new ATOM 515 N THR A 34 -6.415 -2.905 5.671 1.00 31.32 N ATOM 516 CA THR A 34 -7.307 -1.874 5.125 1.00 74.35 C ATOM 517 C THR A 34 -6.896 -0.462 5.559 1.00 62.50 C ATOM 518 O THR A 34 -7.041 -0.085 6.723 1.00 15.11 O ATOM 519 CB THR A 34 -8.775 -2.118 5.556 1.00 41.11 C ATOM 520 OG1 THR A 34 -9.190 -3.432 5.159 1.00 65.15 O ATOM 521 CG2 THR A 34 -9.716 -1.084 4.942 1.00 64.43 C ATOM 0 H THR A 34 -6.594 -3.137 6.648 1.00 31.32 H new ATOM 0 HA THR A 34 -7.223 -1.945 4.041 1.00 74.35 H new ATOM 0 HB THR A 34 -8.822 -2.025 6.641 1.00 41.11 H new ATOM 0 HG1 THR A 34 -10.118 -3.580 5.436 1.00 65.15 H new ATOM 0 HG21 THR A 34 -10.738 -1.285 5.265 1.00 64.43 H new ATOM 0 HG22 THR A 34 -9.422 -0.086 5.267 1.00 64.43 H new ATOM 0 HG23 THR A 34 -9.661 -1.142 3.855 1.00 64.43 H new ATOM 529 N ILE A 35 -6.397 0.325 4.613 1.00 53.43 N ATOM 530 CA ILE A 35 -6.061 1.727 4.864 1.00 60.24 C ATOM 531 C ILE A 35 -7.331 2.591 4.814 1.00 24.42 C ATOM 532 O ILE A 35 -7.739 3.056 3.748 1.00 72.03 O ATOM 533 CB ILE A 35 -5.047 2.263 3.823 1.00 12.14 C ATOM 534 CG1 ILE A 35 -3.847 1.312 3.695 1.00 14.41 C ATOM 535 CG2 ILE A 35 -4.582 3.672 4.200 1.00 50.21 C ATOM 536 CD1 ILE A 35 -2.923 1.657 2.545 1.00 74.10 C ATOM 0 H ILE A 35 -6.214 0.016 3.658 1.00 53.43 H new ATOM 0 HA ILE A 35 -5.608 1.783 5.854 1.00 60.24 H new ATOM 0 HB ILE A 35 -5.546 2.315 2.855 1.00 12.14 H new ATOM 0 HG12 ILE A 35 -3.279 1.329 4.625 1.00 14.41 H new ATOM 0 HG13 ILE A 35 -4.213 0.294 3.564 1.00 14.41 H new ATOM 0 HG21 ILE A 35 -3.870 4.031 3.457 1.00 50.21 H new ATOM 0 HG22 ILE A 35 -5.441 4.342 4.233 1.00 50.21 H new ATOM 0 HG23 ILE A 35 -4.103 3.647 5.179 1.00 50.21 H new ATOM 0 HD11 ILE A 35 -2.098 0.945 2.514 1.00 74.10 H new ATOM 0 HD12 ILE A 35 -3.477 1.612 1.607 1.00 74.10 H new ATOM 0 HD13 ILE A 35 -2.528 2.663 2.685 1.00 74.10 H new ATOM 548 N LYS A 36 -7.976 2.769 5.962 1.00 12.43 N ATOM 549 CA LYS A 36 -9.211 3.558 6.034 1.00 42.14 C ATOM 550 C LYS A 36 -8.931 5.065 5.902 1.00 1.01 C ATOM 551 O LYS A 36 -8.076 5.614 6.602 1.00 65.20 O ATOM 552 CB LYS A 36 -9.955 3.277 7.348 1.00 74.15 C ATOM 553 CG LYS A 36 -10.357 1.815 7.534 1.00 74.12 C ATOM 554 CD LYS A 36 -11.164 1.615 8.814 1.00 43.42 C ATOM 555 CE LYS A 36 -11.535 0.153 9.034 1.00 32.45 C ATOM 556 NZ LYS A 36 -12.372 -0.026 10.250 1.00 44.10 N ATOM 0 H LYS A 36 -7.670 2.381 6.854 1.00 12.43 H new ATOM 0 HA LYS A 36 -9.839 3.257 5.195 1.00 42.14 H new ATOM 0 HB2 LYS A 36 -9.323 3.578 8.183 1.00 74.15 H new ATOM 0 HB3 LYS A 36 -10.851 3.897 7.386 1.00 74.15 H new ATOM 0 HG2 LYS A 36 -10.945 1.486 6.677 1.00 74.12 H new ATOM 0 HG3 LYS A 36 -9.463 1.192 7.565 1.00 74.12 H new ATOM 0 HD2 LYS A 36 -10.587 1.975 9.666 1.00 43.42 H new ATOM 0 HD3 LYS A 36 -12.072 2.216 8.767 1.00 43.42 H new ATOM 0 HE2 LYS A 36 -12.074 -0.220 8.163 1.00 32.45 H new ATOM 0 HE3 LYS A 36 -10.627 -0.443 9.127 1.00 32.45 H new ATOM 0 HZ1 LYS A 36 -12.604 -1.033 10.366 1.00 44.10 H new ATOM 0 HZ2 LYS A 36 -11.848 0.307 11.084 1.00 44.10 H new ATOM 0 HZ3 LYS A 36 -13.250 0.522 10.151 1.00 44.10 H new ATOM 570 N GLY A 37 -9.645 5.720 4.988 1.00 2.23 N ATOM 571 CA GLY A 37 -9.537 7.167 4.829 1.00 71.44 C ATOM 572 C GLY A 37 -10.750 7.902 5.395 1.00 21.32 C ATOM 573 O GLY A 37 -11.311 7.494 6.411 1.00 13.35 O ATOM 0 H GLY A 37 -10.302 5.272 4.349 1.00 2.23 H new ATOM 0 HA2 GLY A 37 -8.635 7.519 5.329 1.00 71.44 H new ATOM 0 HA3 GLY A 37 -9.430 7.408 3.771 1.00 71.44 H new ATOM 577 N LYS A 38 -11.162 8.984 4.738 1.00 24.32 N ATOM 578 CA LYS A 38 -12.317 9.763 5.195 1.00 22.44 C ATOM 579 C LYS A 38 -13.633 9.186 4.635 1.00 20.15 C ATOM 580 O LYS A 38 -13.795 9.042 3.419 1.00 2.42 O ATOM 581 CB LYS A 38 -12.154 11.232 4.777 1.00 70.54 C ATOM 582 CG LYS A 38 -13.207 12.175 5.358 1.00 72.15 C ATOM 583 CD LYS A 38 -12.863 13.636 5.071 1.00 12.32 C ATOM 584 CE LYS A 38 -13.844 14.598 5.728 1.00 71.10 C ATOM 585 NZ LYS A 38 -13.416 16.014 5.563 1.00 4.53 N ATOM 0 H LYS A 38 -10.718 9.342 3.892 1.00 24.32 H new ATOM 0 HA LYS A 38 -12.364 9.705 6.282 1.00 22.44 H new ATOM 0 HB2 LYS A 38 -11.167 11.577 5.084 1.00 70.54 H new ATOM 0 HB3 LYS A 38 -12.189 11.294 3.689 1.00 70.54 H new ATOM 0 HG2 LYS A 38 -14.183 11.939 4.934 1.00 72.15 H new ATOM 0 HG3 LYS A 38 -13.281 12.021 6.435 1.00 72.15 H new ATOM 0 HD2 LYS A 38 -11.855 13.847 5.429 1.00 12.32 H new ATOM 0 HD3 LYS A 38 -12.860 13.802 3.994 1.00 12.32 H new ATOM 0 HE2 LYS A 38 -14.834 14.463 5.292 1.00 71.10 H new ATOM 0 HE3 LYS A 38 -13.929 14.364 6.789 1.00 71.10 H new ATOM 0 HZ1 LYS A 38 -14.107 16.641 6.022 1.00 4.53 H new ATOM 0 HZ2 LYS A 38 -12.482 16.148 6.001 1.00 4.53 H new ATOM 0 HZ3 LYS A 38 -13.360 16.244 4.550 1.00 4.53 H new ATOM 599 N GLY A 39 -14.560 8.846 5.529 1.00 41.44 N ATOM 600 CA GLY A 39 -15.860 8.319 5.115 1.00 33.33 C ATOM 601 C GLY A 39 -15.815 6.853 4.681 1.00 10.14 C ATOM 602 O GLY A 39 -15.172 6.024 5.329 1.00 60.02 O ATOM 0 H GLY A 39 -14.437 8.925 6.538 1.00 41.44 H new ATOM 0 HA2 GLY A 39 -16.565 8.424 5.940 1.00 33.33 H new ATOM 0 HA3 GLY A 39 -16.242 8.922 4.291 1.00 33.33 H new ATOM 606 N ALA A 40 -16.505 6.537 3.586 1.00 13.15 N ATOM 607 CA ALA A 40 -16.537 5.168 3.047 1.00 62.22 C ATOM 608 C ALA A 40 -15.332 4.883 2.135 1.00 71.44 C ATOM 609 O ALA A 40 -15.234 3.819 1.526 1.00 45.55 O ATOM 610 CB ALA A 40 -17.839 4.943 2.287 1.00 15.32 C ATOM 0 H ALA A 40 -17.053 7.210 3.049 1.00 13.15 H new ATOM 0 HA ALA A 40 -16.480 4.476 3.887 1.00 62.22 H new ATOM 0 HB1 ALA A 40 -17.858 3.928 1.890 1.00 15.32 H new ATOM 0 HB2 ALA A 40 -18.683 5.084 2.962 1.00 15.32 H new ATOM 0 HB3 ALA A 40 -17.908 5.655 1.465 1.00 15.32 H new ATOM 616 N GLN A 41 -14.418 5.843 2.052 1.00 2.13 N ATOM 617 CA GLN A 41 -13.222 5.711 1.217 1.00 3.31 C ATOM 618 C GLN A 41 -12.107 4.934 1.941 1.00 73.31 C ATOM 619 O GLN A 41 -11.620 5.357 2.990 1.00 21.03 O ATOM 620 CB GLN A 41 -12.728 7.104 0.816 1.00 41.23 C ATOM 621 CG GLN A 41 -13.695 7.853 -0.097 1.00 52.25 C ATOM 622 CD GLN A 41 -13.272 9.290 -0.375 1.00 23.05 C ATOM 623 OE1 GLN A 41 -13.509 9.819 -1.456 1.00 21.00 O ATOM 624 NE2 GLN A 41 -12.668 9.942 0.599 1.00 43.15 N ATOM 0 H GLN A 41 -14.480 6.728 2.555 1.00 2.13 H new ATOM 0 HA GLN A 41 -13.486 5.143 0.325 1.00 3.31 H new ATOM 0 HB2 GLN A 41 -12.560 7.694 1.717 1.00 41.23 H new ATOM 0 HB3 GLN A 41 -11.766 7.009 0.313 1.00 41.23 H new ATOM 0 HG2 GLN A 41 -13.780 7.317 -1.042 1.00 52.25 H new ATOM 0 HG3 GLN A 41 -14.685 7.855 0.358 1.00 52.25 H new ATOM 0 HE21 GLN A 41 -12.484 9.476 1.487 1.00 43.15 H new ATOM 0 HE22 GLN A 41 -12.385 10.913 0.464 1.00 43.15 H new ATOM 633 N TYR A 42 -11.701 3.799 1.368 1.00 71.10 N ATOM 634 CA TYR A 42 -10.670 2.943 1.973 1.00 53.33 C ATOM 635 C TYR A 42 -9.801 2.262 0.902 1.00 60.35 C ATOM 636 O TYR A 42 -10.240 2.073 -0.231 1.00 61.13 O ATOM 637 CB TYR A 42 -11.329 1.869 2.858 1.00 52.45 C ATOM 638 CG TYR A 42 -12.171 0.867 2.079 1.00 70.10 C ATOM 639 CD1 TYR A 42 -13.457 1.185 1.657 1.00 71.14 C ATOM 640 CD2 TYR A 42 -11.669 -0.391 1.754 1.00 13.51 C ATOM 641 CE1 TYR A 42 -14.218 0.283 0.937 1.00 33.24 C ATOM 642 CE2 TYR A 42 -12.425 -1.300 1.036 1.00 33.15 C ATOM 643 CZ TYR A 42 -13.698 -0.956 0.629 1.00 64.43 C ATOM 644 OH TYR A 42 -14.454 -1.855 -0.094 1.00 72.52 O ATOM 0 H TYR A 42 -12.069 3.448 0.484 1.00 71.10 H new ATOM 0 HA TYR A 42 -10.027 3.579 2.581 1.00 53.33 H new ATOM 0 HB2 TYR A 42 -10.552 1.332 3.402 1.00 52.45 H new ATOM 0 HB3 TYR A 42 -11.958 2.359 3.601 1.00 52.45 H new ATOM 0 HD1 TYR A 42 -13.869 2.154 1.896 1.00 71.14 H new ATOM 0 HD2 TYR A 42 -10.672 -0.661 2.068 1.00 13.51 H new ATOM 0 HE1 TYR A 42 -15.215 0.548 0.617 1.00 33.24 H new ATOM 0 HE2 TYR A 42 -12.022 -2.273 0.795 1.00 33.15 H new ATOM 0 HH TYR A 42 -13.942 -2.680 -0.227 1.00 72.52 H new ATOM 654 N ASN A 43 -8.573 1.901 1.277 1.00 13.21 N ATOM 655 CA ASN A 43 -7.679 1.121 0.407 1.00 21.21 C ATOM 656 C ASN A 43 -7.398 -0.266 1.007 1.00 54.32 C ATOM 657 O ASN A 43 -6.703 -0.383 2.013 1.00 52.14 O ATOM 658 CB ASN A 43 -6.342 1.851 0.197 1.00 34.41 C ATOM 659 CG ASN A 43 -6.471 3.080 -0.670 1.00 64.33 C ATOM 660 OD1 ASN A 43 -6.675 4.189 -0.182 1.00 31.04 O ATOM 661 ND2 ASN A 43 -6.357 2.894 -1.968 1.00 42.51 N ATOM 0 H ASN A 43 -8.169 2.136 2.183 1.00 13.21 H new ATOM 0 HA ASN A 43 -8.184 1.005 -0.552 1.00 21.21 H new ATOM 0 HB2 ASN A 43 -5.935 2.138 1.167 1.00 34.41 H new ATOM 0 HB3 ASN A 43 -5.627 1.165 -0.258 1.00 34.41 H new ATOM 0 HD21 ASN A 43 -6.438 3.686 -2.606 1.00 42.51 H new ATOM 0 HD22 ASN A 43 -6.188 1.958 -2.336 1.00 42.51 H new ATOM 668 N LEU A 44 -7.932 -1.310 0.390 1.00 4.30 N ATOM 669 CA LEU A 44 -7.671 -2.684 0.836 1.00 53.34 C ATOM 670 C LEU A 44 -6.425 -3.251 0.133 1.00 71.54 C ATOM 671 O LEU A 44 -6.459 -3.565 -1.059 1.00 23.25 O ATOM 672 CB LEU A 44 -8.892 -3.582 0.574 1.00 13.33 C ATOM 673 CG LEU A 44 -8.734 -5.054 0.995 1.00 63.41 C ATOM 674 CD1 LEU A 44 -8.416 -5.169 2.486 1.00 2.33 C ATOM 675 CD2 LEU A 44 -9.992 -5.848 0.648 1.00 23.21 C ATOM 0 H LEU A 44 -8.548 -1.239 -0.420 1.00 4.30 H new ATOM 0 HA LEU A 44 -7.484 -2.665 1.910 1.00 53.34 H new ATOM 0 HB2 LEU A 44 -9.750 -3.162 1.100 1.00 13.33 H new ATOM 0 HB3 LEU A 44 -9.123 -3.550 -0.491 1.00 13.33 H new ATOM 0 HG LEU A 44 -7.895 -5.476 0.441 1.00 63.41 H new ATOM 0 HD11 LEU A 44 -8.310 -6.220 2.755 1.00 2.33 H new ATOM 0 HD12 LEU A 44 -7.486 -4.643 2.701 1.00 2.33 H new ATOM 0 HD13 LEU A 44 -9.226 -4.726 3.066 1.00 2.33 H new ATOM 0 HD21 LEU A 44 -9.862 -6.886 0.953 1.00 23.21 H new ATOM 0 HD22 LEU A 44 -10.848 -5.421 1.171 1.00 23.21 H new ATOM 0 HD23 LEU A 44 -10.165 -5.804 -0.427 1.00 23.21 H new ATOM 687 N MET A 45 -5.330 -3.372 0.876 1.00 33.53 N ATOM 688 CA MET A 45 -4.044 -3.810 0.315 1.00 1.14 C ATOM 689 C MET A 45 -3.829 -5.322 0.491 1.00 55.30 C ATOM 690 O MET A 45 -4.257 -5.910 1.486 1.00 3.14 O ATOM 691 CB MET A 45 -2.902 -3.044 0.986 1.00 64.12 C ATOM 692 CG MET A 45 -3.047 -1.530 0.903 1.00 61.44 C ATOM 693 SD MET A 45 -3.001 -0.908 -0.790 1.00 44.01 S ATOM 694 CE MET A 45 -1.324 -1.320 -1.264 1.00 75.14 C ATOM 0 H MET A 45 -5.302 -3.173 1.876 1.00 33.53 H new ATOM 0 HA MET A 45 -4.057 -3.598 -0.754 1.00 1.14 H new ATOM 0 HB2 MET A 45 -2.846 -3.338 2.034 1.00 64.12 H new ATOM 0 HB3 MET A 45 -1.959 -3.336 0.523 1.00 64.12 H new ATOM 0 HG2 MET A 45 -3.988 -1.235 1.367 1.00 61.44 H new ATOM 0 HG3 MET A 45 -2.248 -1.062 1.478 1.00 61.44 H new ATOM 0 HE1 MET A 45 -1.045 -0.747 -2.148 1.00 75.14 H new ATOM 0 HE2 MET A 45 -0.645 -1.079 -0.446 1.00 75.14 H new ATOM 0 HE3 MET A 45 -1.260 -2.385 -1.487 1.00 75.14 H new ATOM 704 N GLU A 46 -3.146 -5.934 -0.476 1.00 34.14 N ATOM 705 CA GLU A 46 -2.845 -7.372 -0.442 1.00 34.04 C ATOM 706 C GLU A 46 -1.370 -7.644 -0.789 1.00 1.45 C ATOM 707 O GLU A 46 -0.890 -7.278 -1.864 1.00 65.22 O ATOM 708 CB GLU A 46 -3.763 -8.128 -1.417 1.00 74.31 C ATOM 709 CG GLU A 46 -3.477 -9.626 -1.502 1.00 35.12 C ATOM 710 CD GLU A 46 -4.448 -10.367 -2.411 1.00 4.11 C ATOM 711 OE1 GLU A 46 -4.407 -10.152 -3.638 1.00 52.15 O ATOM 712 OE2 GLU A 46 -5.249 -11.181 -1.905 1.00 32.34 O ATOM 0 H GLU A 46 -2.786 -5.454 -1.301 1.00 34.14 H new ATOM 0 HA GLU A 46 -3.025 -7.729 0.572 1.00 34.04 H new ATOM 0 HB2 GLU A 46 -4.799 -7.983 -1.111 1.00 74.31 H new ATOM 0 HB3 GLU A 46 -3.659 -7.691 -2.410 1.00 74.31 H new ATOM 0 HG2 GLU A 46 -2.461 -9.776 -1.866 1.00 35.12 H new ATOM 0 HG3 GLU A 46 -3.524 -10.056 -0.502 1.00 35.12 H new ATOM 719 N VAL A 47 -0.658 -8.285 0.136 1.00 3.31 N ATOM 720 CA VAL A 47 0.750 -8.644 -0.059 1.00 34.22 C ATOM 721 C VAL A 47 0.901 -10.160 -0.231 1.00 2.53 C ATOM 722 O VAL A 47 0.656 -10.921 0.702 1.00 50.43 O ATOM 723 CB VAL A 47 1.618 -8.200 1.148 1.00 13.23 C ATOM 724 CG1 VAL A 47 3.098 -8.490 0.894 1.00 31.05 C ATOM 725 CG2 VAL A 47 1.400 -6.723 1.467 1.00 71.45 C ATOM 0 H VAL A 47 -1.037 -8.570 1.039 1.00 3.31 H new ATOM 0 HA VAL A 47 1.090 -8.129 -0.957 1.00 34.22 H new ATOM 0 HB VAL A 47 1.305 -8.780 2.016 1.00 13.23 H new ATOM 0 HG11 VAL A 47 3.685 -8.169 1.755 1.00 31.05 H new ATOM 0 HG12 VAL A 47 3.238 -9.560 0.738 1.00 31.05 H new ATOM 0 HG13 VAL A 47 3.428 -7.948 0.008 1.00 31.05 H new ATOM 0 HG21 VAL A 47 2.021 -6.439 2.317 1.00 71.45 H new ATOM 0 HG22 VAL A 47 1.672 -6.120 0.601 1.00 71.45 H new ATOM 0 HG23 VAL A 47 0.351 -6.554 1.711 1.00 71.45 H new ATOM 735 N ASP A 48 1.323 -10.596 -1.411 1.00 54.22 N ATOM 736 CA ASP A 48 1.491 -12.026 -1.695 1.00 53.54 C ATOM 737 C ASP A 48 2.980 -12.389 -1.792 1.00 4.33 C ATOM 738 O ASP A 48 3.643 -12.091 -2.785 1.00 0.11 O ATOM 739 CB ASP A 48 0.761 -12.390 -2.996 1.00 12.10 C ATOM 740 CG ASP A 48 0.768 -13.882 -3.271 1.00 43.33 C ATOM 741 OD1 ASP A 48 0.130 -14.629 -2.499 1.00 43.42 O ATOM 742 OD2 ASP A 48 1.397 -14.316 -4.260 1.00 41.55 O ATOM 0 H ASP A 48 1.557 -9.983 -2.192 1.00 54.22 H new ATOM 0 HA ASP A 48 1.057 -12.599 -0.875 1.00 53.54 H new ATOM 0 HB2 ASP A 48 -0.270 -12.039 -2.940 1.00 12.10 H new ATOM 0 HB3 ASP A 48 1.231 -11.868 -3.830 1.00 12.10 H new ATOM 747 N GLY A 49 3.507 -13.024 -0.749 1.00 61.52 N ATOM 748 CA GLY A 49 4.931 -13.330 -0.705 1.00 70.41 C ATOM 749 C GLY A 49 5.804 -12.074 -0.696 1.00 21.23 C ATOM 750 O GLY A 49 5.892 -11.386 0.318 1.00 34.11 O ATOM 0 H GLY A 49 2.977 -13.333 0.066 1.00 61.52 H new ATOM 0 HA2 GLY A 49 5.144 -13.922 0.185 1.00 70.41 H new ATOM 0 HA3 GLY A 49 5.193 -13.944 -1.567 1.00 70.41 H new ATOM 754 N GLU A 50 6.421 -11.761 -1.837 1.00 65.13 N ATOM 755 CA GLU A 50 7.335 -10.610 -1.942 1.00 13.21 C ATOM 756 C GLU A 50 6.778 -9.512 -2.872 1.00 32.05 C ATOM 757 O GLU A 50 7.515 -8.642 -3.333 1.00 32.44 O ATOM 758 CB GLU A 50 8.710 -11.083 -2.450 1.00 75.24 C ATOM 759 CG GLU A 50 9.327 -12.194 -1.602 1.00 51.03 C ATOM 760 CD GLU A 50 10.696 -12.633 -2.100 1.00 30.51 C ATOM 761 OE1 GLU A 50 10.772 -13.233 -3.200 1.00 11.54 O ATOM 762 OE2 GLU A 50 11.702 -12.389 -1.398 1.00 63.20 O ATOM 0 H GLU A 50 6.308 -12.285 -2.704 1.00 65.13 H new ATOM 0 HA GLU A 50 7.437 -10.175 -0.948 1.00 13.21 H new ATOM 0 HB2 GLU A 50 8.607 -11.436 -3.476 1.00 75.24 H new ATOM 0 HB3 GLU A 50 9.392 -10.233 -2.472 1.00 75.24 H new ATOM 0 HG2 GLU A 50 9.415 -11.850 -0.571 1.00 51.03 H new ATOM 0 HG3 GLU A 50 8.656 -13.053 -1.596 1.00 51.03 H new ATOM 769 N ARG A 51 5.470 -9.547 -3.126 1.00 34.15 N ATOM 770 CA ARG A 51 4.814 -8.569 -4.012 1.00 51.01 C ATOM 771 C ARG A 51 3.530 -8.007 -3.370 1.00 65.55 C ATOM 772 O ARG A 51 2.857 -8.697 -2.604 1.00 21.52 O ATOM 773 CB ARG A 51 4.494 -9.228 -5.365 1.00 23.31 C ATOM 774 CG ARG A 51 3.720 -10.532 -5.224 1.00 22.22 C ATOM 775 CD ARG A 51 3.477 -11.229 -6.557 1.00 75.15 C ATOM 776 NE ARG A 51 2.809 -12.513 -6.364 1.00 52.24 N ATOM 777 CZ ARG A 51 2.526 -13.349 -7.321 1.00 23.14 C ATOM 778 NH1 ARG A 51 2.809 -13.069 -8.553 1.00 1.40 N ATOM 779 NH2 ARG A 51 1.949 -14.470 -7.033 1.00 63.24 N ATOM 0 H ARG A 51 4.837 -10.243 -2.732 1.00 34.15 H new ATOM 0 HA ARG A 51 5.497 -7.735 -4.171 1.00 51.01 H new ATOM 0 HB2 ARG A 51 3.916 -8.533 -5.974 1.00 23.31 H new ATOM 0 HB3 ARG A 51 5.425 -9.420 -5.898 1.00 23.31 H new ATOM 0 HG2 ARG A 51 4.269 -11.204 -4.564 1.00 22.22 H new ATOM 0 HG3 ARG A 51 2.761 -10.329 -4.747 1.00 22.22 H new ATOM 0 HD2 ARG A 51 2.869 -10.592 -7.199 1.00 75.15 H new ATOM 0 HD3 ARG A 51 4.427 -11.383 -7.069 1.00 75.15 H new ATOM 0 HE ARG A 51 2.546 -12.773 -5.413 1.00 52.24 H new ATOM 0 HH11 ARG A 51 3.260 -12.184 -8.784 1.00 1.40 H new ATOM 0 HH12 ARG A 51 2.581 -13.734 -9.292 1.00 1.40 H new ATOM 0 HH21 ARG A 51 1.720 -14.692 -6.064 1.00 63.24 H new ATOM 0 HH22 ARG A 51 1.723 -15.132 -7.775 1.00 63.24 H new ATOM 793 N ILE A 52 3.192 -6.758 -3.690 1.00 54.30 N ATOM 794 CA ILE A 52 2.023 -6.087 -3.093 1.00 74.13 C ATOM 795 C ILE A 52 1.154 -5.375 -4.149 1.00 45.03 C ATOM 796 O ILE A 52 1.660 -4.861 -5.146 1.00 61.00 O ATOM 797 CB ILE A 52 2.473 -5.061 -2.015 1.00 4.40 C ATOM 798 CG1 ILE A 52 1.257 -4.366 -1.374 1.00 74.44 C ATOM 799 CG2 ILE A 52 3.437 -4.033 -2.611 1.00 64.14 C ATOM 800 CD1 ILE A 52 1.613 -3.382 -0.274 1.00 75.34 C ATOM 0 H ILE A 52 3.707 -6.185 -4.359 1.00 54.30 H new ATOM 0 HA ILE A 52 1.417 -6.866 -2.630 1.00 74.13 H new ATOM 0 HB ILE A 52 3.000 -5.605 -1.232 1.00 4.40 H new ATOM 0 HG12 ILE A 52 0.701 -3.841 -2.151 1.00 74.44 H new ATOM 0 HG13 ILE A 52 0.592 -5.126 -0.965 1.00 74.44 H new ATOM 0 HG21 ILE A 52 3.738 -3.326 -1.838 1.00 64.14 H new ATOM 0 HG22 ILE A 52 4.318 -4.543 -2.999 1.00 64.14 H new ATOM 0 HG23 ILE A 52 2.942 -3.497 -3.421 1.00 64.14 H new ATOM 0 HD11 ILE A 52 0.702 -2.936 0.125 1.00 75.34 H new ATOM 0 HD12 ILE A 52 2.141 -3.904 0.524 1.00 75.34 H new ATOM 0 HD13 ILE A 52 2.252 -2.598 -0.680 1.00 75.34 H new ATOM 812 N ARG A 53 -0.159 -5.361 -3.917 1.00 12.45 N ATOM 813 CA ARG A 53 -1.113 -4.654 -4.787 1.00 44.44 C ATOM 814 C ARG A 53 -2.305 -4.124 -3.975 1.00 1.32 C ATOM 815 O ARG A 53 -2.479 -4.477 -2.807 1.00 43.34 O ATOM 816 CB ARG A 53 -1.655 -5.584 -5.884 1.00 25.24 C ATOM 817 CG ARG A 53 -2.545 -6.698 -5.336 1.00 74.41 C ATOM 818 CD ARG A 53 -3.428 -7.322 -6.411 1.00 54.51 C ATOM 819 NE ARG A 53 -4.271 -8.381 -5.859 1.00 14.43 N ATOM 820 CZ ARG A 53 -5.464 -8.687 -6.291 1.00 1.13 C ATOM 821 NH1 ARG A 53 -6.000 -8.055 -7.286 1.00 54.41 N ATOM 822 NH2 ARG A 53 -6.120 -9.635 -5.714 1.00 71.23 N ATOM 0 H ARG A 53 -0.594 -5.835 -3.126 1.00 12.45 H new ATOM 0 HA ARG A 53 -0.574 -3.823 -5.242 1.00 44.44 H new ATOM 0 HB2 ARG A 53 -2.222 -4.995 -6.605 1.00 25.24 H new ATOM 0 HB3 ARG A 53 -0.818 -6.027 -6.423 1.00 25.24 H new ATOM 0 HG2 ARG A 53 -1.920 -7.471 -4.890 1.00 74.41 H new ATOM 0 HG3 ARG A 53 -3.174 -6.298 -4.541 1.00 74.41 H new ATOM 0 HD2 ARG A 53 -4.055 -6.552 -6.861 1.00 54.51 H new ATOM 0 HD3 ARG A 53 -2.803 -7.729 -7.206 1.00 54.51 H new ATOM 0 HE ARG A 53 -3.899 -8.921 -5.078 1.00 14.43 H new ATOM 0 HH11 ARG A 53 -5.489 -7.303 -7.747 1.00 54.41 H new ATOM 0 HH12 ARG A 53 -6.934 -8.310 -7.608 1.00 54.41 H new ATOM 0 HH21 ARG A 53 -5.706 -10.137 -4.929 1.00 71.23 H new ATOM 0 HH22 ARG A 53 -7.053 -9.883 -6.043 1.00 71.23 H new ATOM 836 N ILE A 54 -3.127 -3.281 -4.596 1.00 71.13 N ATOM 837 CA ILE A 54 -4.413 -2.901 -4.002 1.00 21.21 C ATOM 838 C ILE A 54 -5.493 -3.931 -4.369 1.00 13.40 C ATOM 839 O ILE A 54 -5.923 -4.018 -5.520 1.00 62.15 O ATOM 840 CB ILE A 54 -4.877 -1.488 -4.443 1.00 33.04 C ATOM 841 CG1 ILE A 54 -3.869 -0.425 -3.980 1.00 14.14 C ATOM 842 CG2 ILE A 54 -6.278 -1.180 -3.900 1.00 61.35 C ATOM 843 CD1 ILE A 54 -4.315 0.999 -4.234 1.00 62.34 C ATOM 0 H ILE A 54 -2.932 -2.851 -5.500 1.00 71.13 H new ATOM 0 HA ILE A 54 -4.268 -2.880 -2.922 1.00 21.21 H new ATOM 0 HB ILE A 54 -4.925 -1.467 -5.532 1.00 33.04 H new ATOM 0 HG12 ILE A 54 -3.686 -0.553 -2.913 1.00 14.14 H new ATOM 0 HG13 ILE A 54 -2.920 -0.594 -4.488 1.00 14.14 H new ATOM 0 HG21 ILE A 54 -6.582 -0.184 -4.222 1.00 61.35 H new ATOM 0 HG22 ILE A 54 -6.986 -1.916 -4.281 1.00 61.35 H new ATOM 0 HG23 ILE A 54 -6.263 -1.220 -2.811 1.00 61.35 H new ATOM 0 HD11 ILE A 54 -3.549 1.689 -3.879 1.00 62.34 H new ATOM 0 HD12 ILE A 54 -4.469 1.147 -5.303 1.00 62.34 H new ATOM 0 HD13 ILE A 54 -5.248 1.188 -3.703 1.00 62.34 H new ATOM 855 N LYS A 55 -5.912 -4.714 -3.383 1.00 4.23 N ATOM 856 CA LYS A 55 -6.909 -5.770 -3.585 1.00 4.13 C ATOM 857 C LYS A 55 -8.289 -5.180 -3.914 1.00 15.21 C ATOM 858 O LYS A 55 -8.977 -5.634 -4.829 1.00 64.03 O ATOM 859 CB LYS A 55 -6.995 -6.637 -2.322 1.00 54.32 C ATOM 860 CG LYS A 55 -7.867 -7.878 -2.470 1.00 13.11 C ATOM 861 CD LYS A 55 -7.977 -8.639 -1.151 1.00 21.33 C ATOM 862 CE LYS A 55 -8.721 -9.959 -1.315 1.00 11.43 C ATOM 863 NZ LYS A 55 -8.004 -10.888 -2.223 1.00 54.13 N ATOM 0 H LYS A 55 -5.575 -4.640 -2.423 1.00 4.23 H new ATOM 0 HA LYS A 55 -6.598 -6.381 -4.432 1.00 4.13 H new ATOM 0 HB2 LYS A 55 -5.989 -6.946 -2.039 1.00 54.32 H new ATOM 0 HB3 LYS A 55 -7.384 -6.030 -1.505 1.00 54.32 H new ATOM 0 HG2 LYS A 55 -8.862 -7.588 -2.809 1.00 13.11 H new ATOM 0 HG3 LYS A 55 -7.447 -8.531 -3.235 1.00 13.11 H new ATOM 0 HD2 LYS A 55 -6.978 -8.832 -0.759 1.00 21.33 H new ATOM 0 HD3 LYS A 55 -8.493 -8.020 -0.417 1.00 21.33 H new ATOM 0 HE2 LYS A 55 -8.846 -10.429 -0.340 1.00 11.43 H new ATOM 0 HE3 LYS A 55 -9.720 -9.767 -1.707 1.00 11.43 H new ATOM 0 HZ1 LYS A 55 -8.269 -11.868 -1.997 1.00 54.13 H new ATOM 0 HZ2 LYS A 55 -8.261 -10.678 -3.208 1.00 54.13 H new ATOM 0 HZ3 LYS A 55 -6.978 -10.770 -2.101 1.00 54.13 H new ATOM 877 N GLU A 56 -8.686 -4.166 -3.153 1.00 33.33 N ATOM 878 CA GLU A 56 -9.965 -3.476 -3.357 1.00 42.51 C ATOM 879 C GLU A 56 -9.869 -2.026 -2.862 1.00 75.21 C ATOM 880 O GLU A 56 -9.019 -1.710 -2.036 1.00 44.14 O ATOM 881 CB GLU A 56 -11.091 -4.227 -2.625 1.00 50.34 C ATOM 882 CG GLU A 56 -12.489 -3.697 -2.922 1.00 5.44 C ATOM 883 CD GLU A 56 -12.836 -3.756 -4.401 1.00 41.03 C ATOM 884 OE1 GLU A 56 -13.032 -4.872 -4.927 1.00 14.25 O ATOM 885 OE2 GLU A 56 -12.899 -2.687 -5.050 1.00 53.15 O ATOM 0 H GLU A 56 -8.136 -3.796 -2.378 1.00 33.33 H new ATOM 0 HA GLU A 56 -10.195 -3.460 -4.422 1.00 42.51 H new ATOM 0 HB2 GLU A 56 -11.048 -5.281 -2.899 1.00 50.34 H new ATOM 0 HB3 GLU A 56 -10.913 -4.170 -1.551 1.00 50.34 H new ATOM 0 HG2 GLU A 56 -13.220 -4.276 -2.358 1.00 5.44 H new ATOM 0 HG3 GLU A 56 -12.563 -2.666 -2.576 1.00 5.44 H new ATOM 892 N ASP A 57 -10.735 -1.148 -3.357 1.00 74.33 N ATOM 893 CA ASP A 57 -10.651 0.277 -3.019 1.00 63.22 C ATOM 894 C ASP A 57 -11.977 1.012 -3.290 1.00 32.25 C ATOM 895 O ASP A 57 -12.887 0.470 -3.923 1.00 5.22 O ATOM 896 CB ASP A 57 -9.491 0.908 -3.814 1.00 60.21 C ATOM 897 CG ASP A 57 -9.469 2.420 -3.760 1.00 40.31 C ATOM 898 OD1 ASP A 57 -8.952 2.976 -2.781 1.00 52.43 O ATOM 899 OD2 ASP A 57 -9.987 3.051 -4.695 1.00 45.13 O ATOM 0 H ASP A 57 -11.498 -1.390 -3.989 1.00 74.33 H new ATOM 0 HA ASP A 57 -10.459 0.375 -1.951 1.00 63.22 H new ATOM 0 HB2 ASP A 57 -8.547 0.526 -3.427 1.00 60.21 H new ATOM 0 HB3 ASP A 57 -9.561 0.591 -4.855 1.00 60.21 H new ATOM 904 N ASN A 58 -12.084 2.243 -2.782 1.00 12.05 N ATOM 905 CA ASN A 58 -13.268 3.085 -2.996 1.00 34.00 C ATOM 906 C ASN A 58 -12.862 4.499 -3.469 1.00 14.13 C ATOM 907 O ASN A 58 -12.936 5.472 -2.710 1.00 70.44 O ATOM 908 CB ASN A 58 -14.095 3.163 -1.698 1.00 64.13 C ATOM 909 CG ASN A 58 -15.467 3.803 -1.889 1.00 53.11 C ATOM 910 OD1 ASN A 58 -15.672 4.622 -2.777 1.00 43.13 O ATOM 911 ND2 ASN A 58 -16.415 3.447 -1.045 1.00 24.33 N ATOM 0 H ASN A 58 -11.359 2.683 -2.215 1.00 12.05 H new ATOM 0 HA ASN A 58 -13.879 2.635 -3.779 1.00 34.00 H new ATOM 0 HB2 ASN A 58 -14.224 2.157 -1.298 1.00 64.13 H new ATOM 0 HB3 ASN A 58 -13.537 3.733 -0.955 1.00 64.13 H new ATOM 0 HD21 ASN A 58 -17.346 3.856 -1.122 1.00 24.33 H new ATOM 0 HD22 ASN A 58 -16.217 2.763 -0.315 1.00 24.33 H new ATOM 918 N SER A 59 -12.378 4.601 -4.707 1.00 70.35 N ATOM 919 CA SER A 59 -12.044 5.906 -5.313 1.00 51.35 C ATOM 920 C SER A 59 -12.689 6.073 -6.698 1.00 41.55 C ATOM 921 O SER A 59 -13.015 5.088 -7.366 1.00 34.34 O ATOM 922 CB SER A 59 -10.521 6.069 -5.444 1.00 54.32 C ATOM 923 OG SER A 59 -9.983 5.159 -6.389 1.00 51.25 O ATOM 0 H SER A 59 -12.206 3.801 -5.316 1.00 70.35 H new ATOM 0 HA SER A 59 -12.441 6.675 -4.650 1.00 51.35 H new ATOM 0 HB2 SER A 59 -10.287 7.090 -5.746 1.00 54.32 H new ATOM 0 HB3 SER A 59 -10.051 5.908 -4.474 1.00 54.32 H new ATOM 0 HG SER A 59 -9.010 5.265 -6.428 1.00 51.25 H new ATOM 929 N PRO A 60 -12.899 7.330 -7.144 1.00 0.32 N ATOM 930 CA PRO A 60 -13.420 7.615 -8.495 1.00 24.32 C ATOM 931 C PRO A 60 -12.344 7.490 -9.591 1.00 33.13 C ATOM 932 O PRO A 60 -12.659 7.398 -10.780 1.00 12.33 O ATOM 933 CB PRO A 60 -13.896 9.065 -8.370 1.00 63.35 C ATOM 934 CG PRO A 60 -12.980 9.668 -7.358 1.00 4.32 C ATOM 935 CD PRO A 60 -12.668 8.570 -6.369 1.00 11.14 C ATOM 0 HA PRO A 60 -14.196 6.910 -8.794 1.00 24.32 H new ATOM 0 HB2 PRO A 60 -13.834 9.588 -9.324 1.00 63.35 H new ATOM 0 HB3 PRO A 60 -14.935 9.116 -8.046 1.00 63.35 H new ATOM 0 HG2 PRO A 60 -12.069 10.039 -7.829 1.00 4.32 H new ATOM 0 HG3 PRO A 60 -13.451 10.517 -6.862 1.00 4.32 H new ATOM 0 HD2 PRO A 60 -11.641 8.633 -6.010 1.00 11.14 H new ATOM 0 HD3 PRO A 60 -13.315 8.623 -5.494 1.00 11.14 H new ATOM 943 N ASP A 61 -11.079 7.501 -9.186 1.00 51.11 N ATOM 944 CA ASP A 61 -9.957 7.399 -10.123 1.00 1.11 C ATOM 945 C ASP A 61 -9.509 5.939 -10.327 1.00 4.22 C ATOM 946 O ASP A 61 -9.316 5.489 -11.461 1.00 4.43 O ATOM 947 CB ASP A 61 -8.789 8.249 -9.611 1.00 52.43 C ATOM 948 CG ASP A 61 -8.386 7.868 -8.196 1.00 10.44 C ATOM 949 OD1 ASP A 61 -9.058 8.323 -7.247 1.00 54.15 O ATOM 950 OD2 ASP A 61 -7.423 7.091 -8.034 1.00 55.32 O ATOM 0 H ASP A 61 -10.800 7.580 -8.208 1.00 51.11 H new ATOM 0 HA ASP A 61 -10.288 7.772 -11.092 1.00 1.11 H new ATOM 0 HB2 ASP A 61 -7.934 8.129 -10.276 1.00 52.43 H new ATOM 0 HB3 ASP A 61 -9.068 9.302 -9.637 1.00 52.43 H new ATOM 955 N GLN A 62 -9.348 5.208 -9.219 1.00 34.42 N ATOM 956 CA GLN A 62 -8.919 3.802 -9.248 1.00 2.12 C ATOM 957 C GLN A 62 -7.476 3.651 -9.773 1.00 40.41 C ATOM 958 O GLN A 62 -7.065 2.559 -10.171 1.00 34.11 O ATOM 959 CB GLN A 62 -9.890 2.953 -10.093 1.00 20.42 C ATOM 960 CG GLN A 62 -11.305 2.867 -9.522 1.00 50.41 C ATOM 961 CD GLN A 62 -11.364 2.115 -8.201 1.00 51.20 C ATOM 962 OE1 GLN A 62 -11.552 0.900 -8.169 1.00 2.13 O ATOM 963 NE2 GLN A 62 -11.200 2.820 -7.103 1.00 71.01 N ATOM 0 H GLN A 62 -9.510 5.571 -8.280 1.00 34.42 H new ATOM 0 HA GLN A 62 -8.935 3.438 -8.221 1.00 2.12 H new ATOM 0 HB2 GLN A 62 -9.941 3.371 -11.098 1.00 20.42 H new ATOM 0 HB3 GLN A 62 -9.486 1.945 -10.187 1.00 20.42 H new ATOM 0 HG2 GLN A 62 -11.696 3.874 -9.379 1.00 50.41 H new ATOM 0 HG3 GLN A 62 -11.954 2.373 -10.245 1.00 50.41 H new ATOM 0 HE21 GLN A 62 -11.046 3.827 -7.161 1.00 71.01 H new ATOM 0 HE22 GLN A 62 -11.227 2.360 -6.193 1.00 71.01 H new ATOM 972 N VAL A 63 -6.699 4.738 -9.734 1.00 4.03 N ATOM 973 CA VAL A 63 -5.308 4.720 -10.216 1.00 64.10 C ATOM 974 C VAL A 63 -4.495 3.620 -9.518 1.00 54.33 C ATOM 975 O VAL A 63 -3.786 2.844 -10.163 1.00 14.55 O ATOM 976 CB VAL A 63 -4.610 6.089 -9.998 1.00 24.10 C ATOM 977 CG1 VAL A 63 -3.142 6.039 -10.425 1.00 23.31 C ATOM 978 CG2 VAL A 63 -5.344 7.193 -10.753 1.00 22.21 C ATOM 0 H VAL A 63 -7.006 5.642 -9.375 1.00 4.03 H new ATOM 0 HA VAL A 63 -5.348 4.514 -11.286 1.00 64.10 H new ATOM 0 HB VAL A 63 -4.644 6.312 -8.932 1.00 24.10 H new ATOM 0 HG11 VAL A 63 -2.682 7.013 -10.260 1.00 23.31 H new ATOM 0 HG12 VAL A 63 -2.618 5.285 -9.837 1.00 23.31 H new ATOM 0 HG13 VAL A 63 -3.079 5.783 -11.483 1.00 23.31 H new ATOM 0 HG21 VAL A 63 -4.839 8.145 -10.587 1.00 22.21 H new ATOM 0 HG22 VAL A 63 -5.347 6.965 -11.819 1.00 22.21 H new ATOM 0 HG23 VAL A 63 -6.371 7.259 -10.393 1.00 22.21 H new ATOM 988 N GLY A 64 -4.618 3.548 -8.194 1.00 51.34 N ATOM 989 CA GLY A 64 -3.949 2.498 -7.432 1.00 3.31 C ATOM 990 C GLY A 64 -4.346 1.091 -7.888 1.00 4.43 C ATOM 991 O GLY A 64 -3.510 0.188 -7.945 1.00 11.44 O ATOM 0 H GLY A 64 -5.169 4.197 -7.632 1.00 51.34 H new ATOM 0 HA2 GLY A 64 -2.870 2.616 -7.529 1.00 3.31 H new ATOM 0 HA3 GLY A 64 -4.188 2.614 -6.375 1.00 3.31 H new ATOM 995 N VAL A 65 -5.623 0.914 -8.224 1.00 32.23 N ATOM 996 CA VAL A 65 -6.133 -0.372 -8.722 1.00 2.31 C ATOM 997 C VAL A 65 -5.523 -0.722 -10.093 1.00 14.34 C ATOM 998 O VAL A 65 -5.349 -1.897 -10.433 1.00 2.43 O ATOM 999 CB VAL A 65 -7.682 -0.344 -8.827 1.00 12.32 C ATOM 1000 CG1 VAL A 65 -8.232 -1.682 -9.320 1.00 53.42 C ATOM 1001 CG2 VAL A 65 -8.306 0.034 -7.483 1.00 62.11 C ATOM 0 H VAL A 65 -6.330 1.646 -8.161 1.00 32.23 H new ATOM 0 HA VAL A 65 -5.839 -1.141 -8.007 1.00 2.31 H new ATOM 0 HB VAL A 65 -7.952 0.416 -9.560 1.00 12.32 H new ATOM 0 HG11 VAL A 65 -9.319 -1.628 -9.382 1.00 53.42 H new ATOM 0 HG12 VAL A 65 -7.823 -1.903 -10.306 1.00 53.42 H new ATOM 0 HG13 VAL A 65 -7.947 -2.471 -8.624 1.00 53.42 H new ATOM 0 HG21 VAL A 65 -9.392 0.048 -7.577 1.00 62.11 H new ATOM 0 HG22 VAL A 65 -8.017 -0.698 -6.729 1.00 62.11 H new ATOM 0 HG23 VAL A 65 -7.955 1.022 -7.184 1.00 62.11 H new ATOM 1011 N LYS A 66 -5.200 0.309 -10.873 1.00 34.32 N ATOM 1012 CA LYS A 66 -4.565 0.131 -12.186 1.00 73.42 C ATOM 1013 C LYS A 66 -3.083 -0.273 -12.071 1.00 51.52 C ATOM 1014 O LYS A 66 -2.562 -0.979 -12.938 1.00 12.13 O ATOM 1015 CB LYS A 66 -4.687 1.422 -13.015 1.00 3.30 C ATOM 1016 CG LYS A 66 -5.957 1.510 -13.859 1.00 30.24 C ATOM 1017 CD LYS A 66 -7.231 1.376 -13.032 1.00 4.22 C ATOM 1018 CE LYS A 66 -8.475 1.486 -13.906 1.00 63.11 C ATOM 1019 NZ LYS A 66 -8.466 0.499 -15.023 1.00 52.51 N ATOM 0 H LYS A 66 -5.367 1.283 -10.620 1.00 34.32 H new ATOM 0 HA LYS A 66 -5.090 -0.682 -12.687 1.00 73.42 H new ATOM 0 HB2 LYS A 66 -4.653 2.277 -12.340 1.00 3.30 H new ATOM 0 HB3 LYS A 66 -3.821 1.500 -13.673 1.00 3.30 H new ATOM 0 HG2 LYS A 66 -5.971 2.464 -14.386 1.00 30.24 H new ATOM 0 HG3 LYS A 66 -5.938 0.727 -14.617 1.00 30.24 H new ATOM 0 HD2 LYS A 66 -7.232 0.417 -12.515 1.00 4.22 H new ATOM 0 HD3 LYS A 66 -7.253 2.151 -12.266 1.00 4.22 H new ATOM 0 HE2 LYS A 66 -9.363 1.331 -13.293 1.00 63.11 H new ATOM 0 HE3 LYS A 66 -8.542 2.494 -14.315 1.00 63.11 H new ATOM 0 HZ1 LYS A 66 -9.419 0.430 -15.433 1.00 52.51 H new ATOM 0 HZ2 LYS A 66 -7.796 0.810 -15.755 1.00 52.51 H new ATOM 0 HZ3 LYS A 66 -8.176 -0.432 -14.661 1.00 52.51 H new ATOM 1033 N MET A 67 -2.410 0.182 -11.013 1.00 12.42 N ATOM 1034 CA MET A 67 -0.976 -0.099 -10.824 1.00 30.11 C ATOM 1035 C MET A 67 -0.658 -1.607 -10.873 1.00 75.12 C ATOM 1036 O MET A 67 0.233 -2.039 -11.607 1.00 54.42 O ATOM 1037 CB MET A 67 -0.492 0.491 -9.492 1.00 44.12 C ATOM 1038 CG MET A 67 -0.540 2.013 -9.437 1.00 14.41 C ATOM 1039 SD MET A 67 0.528 2.790 -10.669 1.00 42.25 S ATOM 1040 CE MET A 67 0.356 4.520 -10.228 1.00 14.11 C ATOM 0 H MET A 67 -2.829 0.745 -10.273 1.00 12.42 H new ATOM 0 HA MET A 67 -0.447 0.373 -11.652 1.00 30.11 H new ATOM 0 HB2 MET A 67 -1.103 0.089 -8.684 1.00 44.12 H new ATOM 0 HB3 MET A 67 0.532 0.163 -9.311 1.00 44.12 H new ATOM 0 HG2 MET A 67 -1.567 2.346 -9.591 1.00 14.41 H new ATOM 0 HG3 MET A 67 -0.242 2.346 -8.443 1.00 14.41 H new ATOM 0 HE1 MET A 67 1.267 5.056 -10.496 1.00 14.11 H new ATOM 0 HE2 MET A 67 -0.489 4.950 -10.765 1.00 14.11 H new ATOM 0 HE3 MET A 67 0.186 4.607 -9.155 1.00 14.11 H new ATOM 1050 N GLY A 68 -1.390 -2.403 -10.101 1.00 23.54 N ATOM 1051 CA GLY A 68 -1.173 -3.847 -10.093 1.00 1.34 C ATOM 1052 C GLY A 68 -0.132 -4.302 -9.075 1.00 44.42 C ATOM 1053 O GLY A 68 0.032 -3.683 -8.022 1.00 42.21 O ATOM 0 H GLY A 68 -2.131 -2.079 -9.479 1.00 23.54 H new ATOM 0 HA2 GLY A 68 -2.118 -4.347 -9.882 1.00 1.34 H new ATOM 0 HA3 GLY A 68 -0.860 -4.165 -11.088 1.00 1.34 H new ATOM 1057 N TRP A 69 0.568 -5.393 -9.386 1.00 62.43 N ATOM 1058 CA TRP A 69 1.573 -5.959 -8.475 1.00 35.11 C ATOM 1059 C TRP A 69 2.916 -5.215 -8.561 1.00 55.34 C ATOM 1060 O TRP A 69 3.547 -5.151 -9.621 1.00 20.04 O ATOM 1061 CB TRP A 69 1.799 -7.446 -8.774 1.00 32.11 C ATOM 1062 CG TRP A 69 0.593 -8.307 -8.523 1.00 2.33 C ATOM 1063 CD1 TRP A 69 -0.333 -8.704 -9.441 1.00 15.15 C ATOM 1064 CD2 TRP A 69 0.184 -8.876 -7.273 1.00 24.12 C ATOM 1065 NE1 TRP A 69 -1.283 -9.494 -8.844 1.00 52.43 N ATOM 1066 CE2 TRP A 69 -0.989 -9.614 -7.512 1.00 64.52 C ATOM 1067 CE3 TRP A 69 0.701 -8.839 -5.975 1.00 50.12 C ATOM 1068 CZ2 TRP A 69 -1.658 -10.304 -6.503 1.00 20.45 C ATOM 1069 CZ3 TRP A 69 0.037 -9.522 -4.973 1.00 24.30 C ATOM 1070 CH2 TRP A 69 -1.130 -10.248 -5.244 1.00 65.32 C ATOM 0 H TRP A 69 0.460 -5.905 -10.261 1.00 62.43 H new ATOM 0 HA TRP A 69 1.182 -5.842 -7.464 1.00 35.11 H new ATOM 0 HB2 TRP A 69 2.101 -7.555 -9.816 1.00 32.11 H new ATOM 0 HB3 TRP A 69 2.626 -7.808 -8.163 1.00 32.11 H new ATOM 0 HD1 TRP A 69 -0.321 -8.436 -10.487 1.00 15.15 H new ATOM 0 HE1 TRP A 69 -2.079 -9.922 -9.316 1.00 52.43 H new ATOM 0 HE3 TRP A 69 1.603 -8.287 -5.759 1.00 50.12 H new ATOM 0 HZ2 TRP A 69 -2.560 -10.862 -6.708 1.00 20.45 H new ATOM 0 HZ3 TRP A 69 0.424 -9.495 -3.965 1.00 24.30 H new ATOM 0 HH2 TRP A 69 -1.623 -10.775 -4.440 1.00 65.32 H new ATOM 1081 N LYS A 70 3.338 -4.660 -7.429 1.00 71.43 N ATOM 1082 CA LYS A 70 4.635 -3.986 -7.302 1.00 54.43 C ATOM 1083 C LYS A 70 5.525 -4.731 -6.289 1.00 23.31 C ATOM 1084 O LYS A 70 5.009 -5.351 -5.358 1.00 34.35 O ATOM 1085 CB LYS A 70 4.414 -2.535 -6.850 1.00 33.44 C ATOM 1086 CG LYS A 70 3.526 -1.723 -7.790 1.00 52.41 C ATOM 1087 CD LYS A 70 4.108 -1.660 -9.202 1.00 63.25 C ATOM 1088 CE LYS A 70 3.238 -0.841 -10.144 1.00 51.44 C ATOM 1089 NZ LYS A 70 3.802 -0.800 -11.516 1.00 44.15 N ATOM 0 H LYS A 70 2.791 -4.663 -6.568 1.00 71.43 H new ATOM 0 HA LYS A 70 5.138 -3.988 -8.269 1.00 54.43 H new ATOM 0 HB2 LYS A 70 3.967 -2.538 -5.856 1.00 33.44 H new ATOM 0 HB3 LYS A 70 5.381 -2.041 -6.762 1.00 33.44 H new ATOM 0 HG2 LYS A 70 2.531 -2.167 -7.826 1.00 52.41 H new ATOM 0 HG3 LYS A 70 3.410 -0.712 -7.399 1.00 52.41 H new ATOM 0 HD2 LYS A 70 5.107 -1.226 -9.163 1.00 63.25 H new ATOM 0 HD3 LYS A 70 4.215 -2.671 -9.595 1.00 63.25 H new ATOM 0 HE2 LYS A 70 2.235 -1.267 -10.175 1.00 51.44 H new ATOM 0 HE3 LYS A 70 3.141 0.174 -9.760 1.00 51.44 H new ATOM 0 HZ1 LYS A 70 3.182 -0.233 -12.129 1.00 44.15 H new ATOM 0 HZ2 LYS A 70 4.749 -0.371 -11.489 1.00 44.15 H new ATOM 0 HZ3 LYS A 70 3.871 -1.767 -11.892 1.00 44.15 H new ATOM 1103 N SER A 71 6.851 -4.678 -6.458 1.00 42.32 N ATOM 1104 CA SER A 71 7.748 -5.452 -5.574 1.00 72.44 C ATOM 1105 C SER A 71 9.222 -5.011 -5.624 1.00 63.24 C ATOM 1106 O SER A 71 10.083 -5.693 -5.064 1.00 31.14 O ATOM 1107 CB SER A 71 7.667 -6.945 -5.926 1.00 31.25 C ATOM 1108 OG SER A 71 8.123 -7.194 -7.251 1.00 33.34 O ATOM 0 H SER A 71 7.322 -4.126 -7.175 1.00 42.32 H new ATOM 0 HA SER A 71 7.397 -5.261 -4.560 1.00 72.44 H new ATOM 0 HB2 SER A 71 8.267 -7.519 -5.220 1.00 31.25 H new ATOM 0 HB3 SER A 71 6.638 -7.289 -5.824 1.00 31.25 H new ATOM 0 HG SER A 71 8.060 -8.153 -7.444 1.00 33.34 H new ATOM 1114 N LYS A 72 9.531 -3.888 -6.274 1.00 23.31 N ATOM 1115 CA LYS A 72 10.927 -3.428 -6.375 1.00 71.40 C ATOM 1116 C LYS A 72 11.078 -1.936 -6.041 1.00 63.23 C ATOM 1117 O LYS A 72 10.127 -1.159 -6.141 1.00 72.01 O ATOM 1118 CB LYS A 72 11.487 -3.715 -7.779 1.00 32.34 C ATOM 1119 CG LYS A 72 11.618 -5.204 -8.102 1.00 41.34 C ATOM 1120 CD LYS A 72 12.581 -5.913 -7.145 1.00 61.14 C ATOM 1121 CE LYS A 72 12.577 -7.423 -7.356 1.00 2.52 C ATOM 1122 NZ LYS A 72 13.506 -8.123 -6.430 1.00 21.03 N ATOM 0 H LYS A 72 8.849 -3.285 -6.734 1.00 23.31 H new ATOM 0 HA LYS A 72 11.500 -3.986 -5.635 1.00 71.40 H new ATOM 0 HB2 LYS A 72 10.838 -3.248 -8.520 1.00 32.34 H new ATOM 0 HB3 LYS A 72 12.466 -3.246 -7.872 1.00 32.34 H new ATOM 0 HG2 LYS A 72 10.637 -5.676 -8.045 1.00 41.34 H new ATOM 0 HG3 LYS A 72 11.970 -5.324 -9.126 1.00 41.34 H new ATOM 0 HD2 LYS A 72 13.590 -5.528 -7.293 1.00 61.14 H new ATOM 0 HD3 LYS A 72 12.302 -5.689 -6.116 1.00 61.14 H new ATOM 0 HE2 LYS A 72 11.567 -7.805 -7.212 1.00 2.52 H new ATOM 0 HE3 LYS A 72 12.858 -7.645 -8.386 1.00 2.52 H new ATOM 0 HZ1 LYS A 72 13.160 -9.088 -6.255 1.00 21.03 H new ATOM 0 HZ2 LYS A 72 14.454 -8.167 -6.856 1.00 21.03 H new ATOM 0 HZ3 LYS A 72 13.555 -7.605 -5.530 1.00 21.03 H new ATOM 1136 N ALA A 73 12.293 -1.549 -5.647 1.00 74.03 N ATOM 1137 CA ALA A 73 12.587 -0.162 -5.265 1.00 70.34 C ATOM 1138 C ALA A 73 12.312 0.813 -6.419 1.00 11.23 C ATOM 1139 O ALA A 73 13.000 0.797 -7.443 1.00 53.44 O ATOM 1140 CB ALA A 73 14.032 -0.035 -4.794 1.00 73.13 C ATOM 0 H ALA A 73 13.094 -2.178 -5.583 1.00 74.03 H new ATOM 0 HA ALA A 73 11.922 0.103 -4.443 1.00 70.34 H new ATOM 0 HB1 ALA A 73 14.234 0.999 -4.515 1.00 73.13 H new ATOM 0 HB2 ALA A 73 14.192 -0.682 -3.931 1.00 73.13 H new ATOM 0 HB3 ALA A 73 14.704 -0.331 -5.599 1.00 73.13 H new ATOM 1146 N GLY A 74 11.304 1.660 -6.244 1.00 52.30 N ATOM 1147 CA GLY A 74 10.900 2.589 -7.295 1.00 3.43 C ATOM 1148 C GLY A 74 9.400 2.550 -7.558 1.00 13.24 C ATOM 1149 O GLY A 74 8.809 3.531 -8.018 1.00 1.35 O ATOM 0 H GLY A 74 10.753 1.723 -5.388 1.00 52.30 H new ATOM 0 HA2 GLY A 74 11.191 3.601 -7.013 1.00 3.43 H new ATOM 0 HA3 GLY A 74 11.434 2.348 -8.214 1.00 3.43 H new ATOM 1153 N ASP A 75 8.782 1.409 -7.268 1.00 52.22 N ATOM 1154 CA ASP A 75 7.338 1.250 -7.428 1.00 23.00 C ATOM 1155 C ASP A 75 6.570 2.089 -6.390 1.00 65.01 C ATOM 1156 O ASP A 75 6.810 1.979 -5.187 1.00 20.11 O ATOM 1157 CB ASP A 75 6.952 -0.227 -7.294 1.00 71.31 C ATOM 1158 CG ASP A 75 7.565 -1.115 -8.368 1.00 41.44 C ATOM 1159 OD1 ASP A 75 7.698 -0.655 -9.523 1.00 0.14 O ATOM 1160 OD2 ASP A 75 7.903 -2.279 -8.060 1.00 23.22 O ATOM 0 H ASP A 75 9.259 0.578 -6.920 1.00 52.22 H new ATOM 0 HA ASP A 75 7.067 1.604 -8.423 1.00 23.00 H new ATOM 0 HB2 ASP A 75 7.263 -0.588 -6.314 1.00 71.31 H new ATOM 0 HB3 ASP A 75 5.866 -0.316 -7.336 1.00 71.31 H new ATOM 1165 N THR A 76 5.647 2.929 -6.857 1.00 12.32 N ATOM 1166 CA THR A 76 4.863 3.801 -5.962 1.00 62.12 C ATOM 1167 C THR A 76 3.362 3.741 -6.275 1.00 72.41 C ATOM 1168 O THR A 76 2.962 3.603 -7.429 1.00 43.24 O ATOM 1169 CB THR A 76 5.332 5.278 -6.037 1.00 22.22 C ATOM 1170 OG1 THR A 76 5.292 5.752 -7.392 1.00 42.20 O ATOM 1171 CG2 THR A 76 6.748 5.438 -5.484 1.00 23.41 C ATOM 0 H THR A 76 5.419 3.029 -7.846 1.00 12.32 H new ATOM 0 HA THR A 76 5.033 3.423 -4.954 1.00 62.12 H new ATOM 0 HB THR A 76 4.650 5.870 -5.427 1.00 22.22 H new ATOM 0 HG1 THR A 76 5.589 6.685 -7.421 1.00 42.20 H new ATOM 0 HG21 THR A 76 7.048 6.484 -5.550 1.00 23.41 H new ATOM 0 HG22 THR A 76 6.770 5.119 -4.442 1.00 23.41 H new ATOM 0 HG23 THR A 76 7.437 4.825 -6.065 1.00 23.41 H new ATOM 1179 N ILE A 77 2.535 3.846 -5.234 1.00 24.04 N ATOM 1180 CA ILE A 77 1.074 3.824 -5.379 1.00 21.33 C ATOM 1181 C ILE A 77 0.469 5.180 -4.974 1.00 64.24 C ATOM 1182 O ILE A 77 0.772 5.710 -3.905 1.00 44.51 O ATOM 1183 CB ILE A 77 0.439 2.711 -4.500 1.00 13.15 C ATOM 1184 CG1 ILE A 77 1.113 1.351 -4.763 1.00 5.14 C ATOM 1185 CG2 ILE A 77 -1.069 2.623 -4.744 1.00 31.41 C ATOM 1186 CD1 ILE A 77 0.962 0.847 -6.185 1.00 53.24 C ATOM 0 H ILE A 77 2.854 3.948 -4.271 1.00 24.04 H new ATOM 0 HA ILE A 77 0.856 3.621 -6.427 1.00 21.33 H new ATOM 0 HB ILE A 77 0.602 2.973 -3.454 1.00 13.15 H new ATOM 0 HG12 ILE A 77 2.174 1.433 -4.529 1.00 5.14 H new ATOM 0 HG13 ILE A 77 0.693 0.612 -4.081 1.00 5.14 H new ATOM 0 HG21 ILE A 77 -1.494 1.838 -4.119 1.00 31.41 H new ATOM 0 HG22 ILE A 77 -1.534 3.577 -4.495 1.00 31.41 H new ATOM 0 HG23 ILE A 77 -1.255 2.392 -5.793 1.00 31.41 H new ATOM 0 HD11 ILE A 77 1.465 -0.115 -6.285 1.00 53.24 H new ATOM 0 HD12 ILE A 77 -0.096 0.730 -6.419 1.00 53.24 H new ATOM 0 HD13 ILE A 77 1.409 1.563 -6.874 1.00 53.24 H new ATOM 1198 N VAL A 78 -0.387 5.738 -5.829 1.00 42.14 N ATOM 1199 CA VAL A 78 -0.985 7.060 -5.583 1.00 3.25 C ATOM 1200 C VAL A 78 -2.503 6.971 -5.335 1.00 70.11 C ATOM 1201 O VAL A 78 -3.256 6.509 -6.196 1.00 70.32 O ATOM 1202 CB VAL A 78 -0.725 8.014 -6.780 1.00 53.14 C ATOM 1203 CG1 VAL A 78 -1.298 9.404 -6.507 1.00 73.40 C ATOM 1204 CG2 VAL A 78 0.770 8.093 -7.091 1.00 22.43 C ATOM 0 H VAL A 78 -0.685 5.299 -6.700 1.00 42.14 H new ATOM 0 HA VAL A 78 -0.510 7.455 -4.685 1.00 3.25 H new ATOM 0 HB VAL A 78 -1.235 7.608 -7.654 1.00 53.14 H new ATOM 0 HG11 VAL A 78 -1.102 10.052 -7.361 1.00 73.40 H new ATOM 0 HG12 VAL A 78 -2.374 9.329 -6.347 1.00 73.40 H new ATOM 0 HG13 VAL A 78 -0.827 9.823 -5.618 1.00 73.40 H new ATOM 0 HG21 VAL A 78 0.931 8.766 -7.933 1.00 22.43 H new ATOM 0 HG22 VAL A 78 1.304 8.469 -6.218 1.00 22.43 H new ATOM 0 HG23 VAL A 78 1.142 7.100 -7.344 1.00 22.43 H new ATOM 1214 N CYS A 79 -2.943 7.392 -4.146 1.00 62.32 N ATOM 1215 CA CYS A 79 -4.380 7.492 -3.832 1.00 21.44 C ATOM 1216 C CYS A 79 -4.752 8.924 -3.412 1.00 74.12 C ATOM 1217 O CYS A 79 -4.844 9.237 -2.221 1.00 74.01 O ATOM 1218 CB CYS A 79 -4.763 6.492 -2.732 1.00 12.54 C ATOM 1219 SG CYS A 79 -4.486 4.762 -3.184 1.00 2.43 S ATOM 0 H CYS A 79 -2.328 7.670 -3.381 1.00 62.32 H new ATOM 0 HA CYS A 79 -4.941 7.246 -4.734 1.00 21.44 H new ATOM 0 HB2 CYS A 79 -4.190 6.719 -1.833 1.00 12.54 H new ATOM 0 HB3 CYS A 79 -5.815 6.628 -2.482 1.00 12.54 H new ATOM 0 HG CYS A 79 -4.008 4.118 -2.161 1.00 2.43 H new ATOM 1225 N LEU A 80 -4.971 9.787 -4.406 1.00 15.10 N ATOM 1226 CA LEU A 80 -5.199 11.225 -4.179 1.00 24.32 C ATOM 1227 C LEU A 80 -6.396 11.522 -3.240 1.00 3.02 C ATOM 1228 O LEU A 80 -6.215 12.137 -2.188 1.00 35.23 O ATOM 1229 CB LEU A 80 -5.377 11.948 -5.526 1.00 2.21 C ATOM 1230 CG LEU A 80 -4.112 12.037 -6.398 1.00 60.14 C ATOM 1231 CD1 LEU A 80 -4.424 12.705 -7.734 1.00 34.32 C ATOM 1232 CD2 LEU A 80 -3.006 12.792 -5.662 1.00 54.54 C ATOM 0 H LEU A 80 -4.996 9.515 -5.389 1.00 15.10 H new ATOM 0 HA LEU A 80 -4.314 11.605 -3.668 1.00 24.32 H new ATOM 0 HB2 LEU A 80 -6.154 11.437 -6.094 1.00 2.21 H new ATOM 0 HB3 LEU A 80 -5.736 12.959 -5.332 1.00 2.21 H new ATOM 0 HG LEU A 80 -3.761 11.024 -6.598 1.00 60.14 H new ATOM 0 HD11 LEU A 80 -3.516 12.758 -8.335 1.00 34.32 H new ATOM 0 HD12 LEU A 80 -5.177 12.123 -8.265 1.00 34.32 H new ATOM 0 HD13 LEU A 80 -4.802 13.712 -7.558 1.00 34.32 H new ATOM 0 HD21 LEU A 80 -2.119 12.845 -6.294 1.00 54.54 H new ATOM 0 HD22 LEU A 80 -3.347 13.801 -5.429 1.00 54.54 H new ATOM 0 HD23 LEU A 80 -2.762 12.269 -4.737 1.00 54.54 H new ATOM 1244 N PRO A 81 -7.631 11.074 -3.576 1.00 51.32 N ATOM 1245 CA PRO A 81 -8.828 11.415 -2.780 1.00 61.41 C ATOM 1246 C PRO A 81 -8.862 10.711 -1.412 1.00 2.31 C ATOM 1247 O PRO A 81 -9.782 10.909 -0.619 1.00 45.13 O ATOM 1248 CB PRO A 81 -9.988 10.945 -3.670 1.00 51.13 C ATOM 1249 CG PRO A 81 -9.408 9.842 -4.491 1.00 20.41 C ATOM 1250 CD PRO A 81 -7.962 10.195 -4.718 1.00 24.24 C ATOM 0 HA PRO A 81 -8.863 12.477 -2.535 1.00 61.41 H new ATOM 0 HB2 PRO A 81 -10.829 10.594 -3.072 1.00 51.13 H new ATOM 0 HB3 PRO A 81 -10.359 11.755 -4.299 1.00 51.13 H new ATOM 0 HG2 PRO A 81 -9.498 8.886 -3.975 1.00 20.41 H new ATOM 0 HG3 PRO A 81 -9.937 9.744 -5.439 1.00 20.41 H new ATOM 0 HD2 PRO A 81 -7.331 9.306 -4.735 1.00 24.24 H new ATOM 0 HD3 PRO A 81 -7.819 10.705 -5.670 1.00 24.24 H new ATOM 1258 N HIS A 82 -7.859 9.874 -1.149 1.00 12.34 N ATOM 1259 CA HIS A 82 -7.743 9.173 0.137 1.00 52.41 C ATOM 1260 C HIS A 82 -6.564 9.713 0.963 1.00 52.24 C ATOM 1261 O HIS A 82 -6.342 9.278 2.093 1.00 63.41 O ATOM 1262 CB HIS A 82 -7.576 7.664 -0.096 1.00 43.10 C ATOM 1263 CG HIS A 82 -8.751 7.014 -0.766 1.00 44.20 C ATOM 1264 ND1 HIS A 82 -8.819 5.661 -1.012 1.00 12.31 N ATOM 1265 CD2 HIS A 82 -9.914 7.529 -1.234 1.00 4.55 C ATOM 1266 CE1 HIS A 82 -9.961 5.373 -1.594 1.00 73.25 C ATOM 1267 NE2 HIS A 82 -10.644 6.486 -1.741 1.00 63.22 N ATOM 0 H HIS A 82 -7.111 9.662 -1.809 1.00 12.34 H new ATOM 0 HA HIS A 82 -8.659 9.350 0.700 1.00 52.41 H new ATOM 0 HB2 HIS A 82 -6.687 7.497 -0.704 1.00 43.10 H new ATOM 0 HB3 HIS A 82 -7.403 7.176 0.863 1.00 43.10 H new ATOM 0 HD1 HIS A 82 -8.092 4.984 -0.778 1.00 12.31 H new ATOM 0 HD2 HIS A 82 -10.210 8.567 -1.212 1.00 4.55 H new ATOM 0 HE1 HIS A 82 -10.284 4.389 -1.900 1.00 73.25 H new ATOM 1276 N LYS A 83 -5.819 10.665 0.388 1.00 34.11 N ATOM 1277 CA LYS A 83 -4.646 11.262 1.051 1.00 25.25 C ATOM 1278 C LYS A 83 -3.577 10.203 1.382 1.00 43.41 C ATOM 1279 O LYS A 83 -2.804 10.357 2.334 1.00 14.42 O ATOM 1280 CB LYS A 83 -5.077 12.010 2.324 1.00 40.14 C ATOM 1281 CG LYS A 83 -6.025 13.180 2.058 1.00 4.41 C ATOM 1282 CD LYS A 83 -6.483 13.846 3.355 1.00 43.22 C ATOM 1283 CE LYS A 83 -7.399 15.038 3.091 1.00 72.35 C ATOM 1284 NZ LYS A 83 -6.717 16.095 2.297 1.00 42.05 N ATOM 0 H LYS A 83 -6.007 11.042 -0.541 1.00 34.11 H new ATOM 0 HA LYS A 83 -4.198 11.972 0.356 1.00 25.25 H new ATOM 0 HB2 LYS A 83 -5.563 11.307 3.001 1.00 40.14 H new ATOM 0 HB3 LYS A 83 -4.189 12.382 2.834 1.00 40.14 H new ATOM 0 HG2 LYS A 83 -5.526 13.916 1.428 1.00 4.41 H new ATOM 0 HG3 LYS A 83 -6.895 12.825 1.505 1.00 4.41 H new ATOM 0 HD2 LYS A 83 -7.006 13.116 3.973 1.00 43.22 H new ATOM 0 HD3 LYS A 83 -5.612 14.176 3.921 1.00 43.22 H new ATOM 0 HE2 LYS A 83 -8.289 14.701 2.559 1.00 72.35 H new ATOM 0 HE3 LYS A 83 -7.734 15.456 4.040 1.00 72.35 H new ATOM 0 HZ1 LYS A 83 -7.281 16.968 2.325 1.00 42.05 H new ATOM 0 HZ2 LYS A 83 -5.776 16.278 2.699 1.00 42.05 H new ATOM 0 HZ3 LYS A 83 -6.617 15.779 1.311 1.00 42.05 H new ATOM 1298 N VAL A 84 -3.520 9.148 0.565 1.00 1.34 N ATOM 1299 CA VAL A 84 -2.584 8.036 0.777 1.00 73.22 C ATOM 1300 C VAL A 84 -1.555 7.931 -0.360 1.00 52.14 C ATOM 1301 O VAL A 84 -1.902 7.997 -1.541 1.00 3.50 O ATOM 1302 CB VAL A 84 -3.333 6.681 0.900 1.00 4.12 C ATOM 1303 CG1 VAL A 84 -2.356 5.528 1.134 1.00 33.42 C ATOM 1304 CG2 VAL A 84 -4.376 6.735 2.014 1.00 40.42 C ATOM 0 H VAL A 84 -4.115 9.039 -0.256 1.00 1.34 H new ATOM 0 HA VAL A 84 -2.062 8.249 1.710 1.00 73.22 H new ATOM 0 HB VAL A 84 -3.848 6.500 -0.044 1.00 4.12 H new ATOM 0 HG11 VAL A 84 -2.910 4.593 1.216 1.00 33.42 H new ATOM 0 HG12 VAL A 84 -1.660 5.465 0.298 1.00 33.42 H new ATOM 0 HG13 VAL A 84 -1.801 5.703 2.056 1.00 33.42 H new ATOM 0 HG21 VAL A 84 -4.887 5.775 2.081 1.00 40.42 H new ATOM 0 HG22 VAL A 84 -3.884 6.951 2.963 1.00 40.42 H new ATOM 0 HG23 VAL A 84 -5.102 7.518 1.795 1.00 40.42 H new ATOM 1314 N PHE A 85 -0.291 7.762 0.012 1.00 72.21 N ATOM 1315 CA PHE A 85 0.793 7.549 -0.951 1.00 41.01 C ATOM 1316 C PHE A 85 1.727 6.432 -0.461 1.00 35.42 C ATOM 1317 O PHE A 85 2.152 6.426 0.694 1.00 30.12 O ATOM 1318 CB PHE A 85 1.585 8.849 -1.163 1.00 3.11 C ATOM 1319 CG PHE A 85 2.726 8.711 -2.143 1.00 10.04 C ATOM 1320 CD1 PHE A 85 2.488 8.701 -3.511 1.00 60.43 C ATOM 1321 CD2 PHE A 85 4.036 8.582 -1.697 1.00 15.44 C ATOM 1322 CE1 PHE A 85 3.530 8.571 -4.411 1.00 11.33 C ATOM 1323 CE2 PHE A 85 5.080 8.451 -2.593 1.00 31.10 C ATOM 1324 CZ PHE A 85 4.826 8.445 -3.950 1.00 23.21 C ATOM 0 H PHE A 85 0.015 7.768 0.985 1.00 72.21 H new ATOM 0 HA PHE A 85 0.357 7.249 -1.904 1.00 41.01 H new ATOM 0 HB2 PHE A 85 0.906 9.625 -1.517 1.00 3.11 H new ATOM 0 HB3 PHE A 85 1.980 9.184 -0.204 1.00 3.11 H new ATOM 0 HD1 PHE A 85 1.476 8.796 -3.877 1.00 60.43 H new ATOM 0 HD2 PHE A 85 4.241 8.584 -0.637 1.00 15.44 H new ATOM 0 HE1 PHE A 85 3.331 8.568 -5.472 1.00 11.33 H new ATOM 0 HE2 PHE A 85 6.093 8.353 -2.232 1.00 31.10 H new ATOM 0 HZ PHE A 85 5.641 8.342 -4.651 1.00 23.21 H new ATOM 1334 N VAL A 86 2.038 5.488 -1.344 1.00 64.04 N ATOM 1335 CA VAL A 86 2.908 4.357 -1.001 1.00 54.41 C ATOM 1336 C VAL A 86 4.179 4.356 -1.863 1.00 22.01 C ATOM 1337 O VAL A 86 4.114 4.577 -3.071 1.00 5.41 O ATOM 1338 CB VAL A 86 2.169 3.004 -1.192 1.00 11.23 C ATOM 1339 CG1 VAL A 86 3.049 1.832 -0.757 1.00 21.43 C ATOM 1340 CG2 VAL A 86 0.839 2.998 -0.436 1.00 71.04 C ATOM 0 H VAL A 86 1.701 5.480 -2.307 1.00 64.04 H new ATOM 0 HA VAL A 86 3.183 4.472 0.047 1.00 54.41 H new ATOM 0 HB VAL A 86 1.955 2.886 -2.254 1.00 11.23 H new ATOM 0 HG11 VAL A 86 2.507 0.897 -0.901 1.00 21.43 H new ATOM 0 HG12 VAL A 86 3.960 1.819 -1.355 1.00 21.43 H new ATOM 0 HG13 VAL A 86 3.308 1.943 0.296 1.00 21.43 H new ATOM 0 HG21 VAL A 86 0.340 2.040 -0.585 1.00 71.04 H new ATOM 0 HG22 VAL A 86 1.024 3.149 0.627 1.00 71.04 H new ATOM 0 HG23 VAL A 86 0.204 3.800 -0.811 1.00 71.04 H new ATOM 1350 N GLU A 87 5.329 4.108 -1.241 1.00 10.03 N ATOM 1351 CA GLU A 87 6.603 4.025 -1.971 1.00 53.51 C ATOM 1352 C GLU A 87 7.412 2.787 -1.549 1.00 24.42 C ATOM 1353 O GLU A 87 7.673 2.568 -0.364 1.00 32.01 O ATOM 1354 CB GLU A 87 7.435 5.304 -1.753 1.00 3.14 C ATOM 1355 CG GLU A 87 7.822 5.560 -0.300 1.00 3.42 C ATOM 1356 CD GLU A 87 8.695 6.795 -0.120 1.00 21.11 C ATOM 1357 OE1 GLU A 87 9.939 6.673 -0.197 1.00 0.42 O ATOM 1358 OE2 GLU A 87 8.146 7.890 0.116 1.00 2.43 O ATOM 0 H GLU A 87 5.411 3.960 -0.235 1.00 10.03 H new ATOM 0 HA GLU A 87 6.371 3.930 -3.032 1.00 53.51 H new ATOM 0 HB2 GLU A 87 8.343 5.240 -2.353 1.00 3.14 H new ATOM 0 HB3 GLU A 87 6.869 6.159 -2.122 1.00 3.14 H new ATOM 0 HG2 GLU A 87 6.916 5.673 0.296 1.00 3.42 H new ATOM 0 HG3 GLU A 87 8.351 4.689 0.087 1.00 3.42 H new ATOM 1365 N ILE A 88 7.787 1.964 -2.523 1.00 5.25 N ATOM 1366 CA ILE A 88 8.650 0.809 -2.266 1.00 74.31 C ATOM 1367 C ILE A 88 10.128 1.205 -2.407 1.00 60.33 C ATOM 1368 O ILE A 88 10.577 1.598 -3.485 1.00 42.44 O ATOM 1369 CB ILE A 88 8.330 -0.369 -3.223 1.00 44.32 C ATOM 1370 CG1 ILE A 88 6.854 -0.780 -3.084 1.00 43.15 C ATOM 1371 CG2 ILE A 88 9.252 -1.557 -2.941 1.00 1.14 C ATOM 1372 CD1 ILE A 88 6.446 -1.928 -3.984 1.00 12.43 C ATOM 0 H ILE A 88 7.509 2.073 -3.498 1.00 5.25 H new ATOM 0 HA ILE A 88 8.458 0.478 -1.245 1.00 74.31 H new ATOM 0 HB ILE A 88 8.503 -0.042 -4.248 1.00 44.32 H new ATOM 0 HG12 ILE A 88 6.661 -1.058 -2.048 1.00 43.15 H new ATOM 0 HG13 ILE A 88 6.225 0.082 -3.305 1.00 43.15 H new ATOM 0 HG21 ILE A 88 9.012 -2.373 -3.622 1.00 1.14 H new ATOM 0 HG22 ILE A 88 10.289 -1.255 -3.087 1.00 1.14 H new ATOM 0 HG23 ILE A 88 9.112 -1.890 -1.912 1.00 1.14 H new ATOM 0 HD11 ILE A 88 5.392 -2.157 -3.826 1.00 12.43 H new ATOM 0 HD12 ILE A 88 6.605 -1.648 -5.025 1.00 12.43 H new ATOM 0 HD13 ILE A 88 7.047 -2.806 -3.749 1.00 12.43 H new ATOM 1384 N LYS A 89 10.872 1.104 -1.313 1.00 5.42 N ATOM 1385 CA LYS A 89 12.266 1.549 -1.272 1.00 64.12 C ATOM 1386 C LYS A 89 13.174 0.477 -0.653 1.00 2.01 C ATOM 1387 O LYS A 89 12.753 -0.274 0.224 1.00 52.33 O ATOM 1388 CB LYS A 89 12.347 2.858 -0.472 1.00 4.42 C ATOM 1389 CG LYS A 89 11.826 2.735 0.961 1.00 44.51 C ATOM 1390 CD LYS A 89 11.328 4.071 1.509 1.00 31.33 C ATOM 1391 CE LYS A 89 12.412 5.137 1.533 1.00 22.12 C ATOM 1392 NZ LYS A 89 11.860 6.476 1.881 1.00 63.44 N ATOM 0 H LYS A 89 10.533 0.715 -0.433 1.00 5.42 H new ATOM 0 HA LYS A 89 12.616 1.720 -2.290 1.00 64.12 H new ATOM 0 HB2 LYS A 89 13.384 3.194 -0.445 1.00 4.42 H new ATOM 0 HB3 LYS A 89 11.776 3.627 -0.992 1.00 4.42 H new ATOM 0 HG2 LYS A 89 11.015 2.007 0.990 1.00 44.51 H new ATOM 0 HG3 LYS A 89 12.620 2.354 1.603 1.00 44.51 H new ATOM 0 HD2 LYS A 89 10.494 4.420 0.900 1.00 31.33 H new ATOM 0 HD3 LYS A 89 10.946 3.925 2.519 1.00 31.33 H new ATOM 0 HE2 LYS A 89 13.179 4.860 2.257 1.00 22.12 H new ATOM 0 HE3 LYS A 89 12.897 5.185 0.558 1.00 22.12 H new ATOM 0 HZ1 LYS A 89 12.637 7.163 1.954 1.00 63.44 H new ATOM 0 HZ2 LYS A 89 11.196 6.781 1.141 1.00 63.44 H new ATOM 0 HZ3 LYS A 89 11.361 6.420 2.792 1.00 63.44 H new ATOM 1406 N SER A 90 14.416 0.404 -1.114 1.00 60.44 N ATOM 1407 CA SER A 90 15.360 -0.611 -0.622 1.00 12.12 C ATOM 1408 C SER A 90 15.953 -0.236 0.742 1.00 0.42 C ATOM 1409 O SER A 90 16.181 0.940 1.032 1.00 52.34 O ATOM 1410 CB SER A 90 16.501 -0.825 -1.625 1.00 55.50 C ATOM 1411 OG SER A 90 17.427 -1.798 -1.156 1.00 43.33 O ATOM 0 H SER A 90 14.799 1.028 -1.824 1.00 60.44 H new ATOM 0 HA SER A 90 14.793 -1.535 -0.507 1.00 12.12 H new ATOM 0 HB2 SER A 90 16.090 -1.143 -2.583 1.00 55.50 H new ATOM 0 HB3 SER A 90 17.018 0.119 -1.797 1.00 55.50 H new ATOM 0 HG SER A 90 16.945 -2.503 -0.676 1.00 43.33 H new ATOM 1417 N THR A 91 16.202 -1.247 1.575 1.00 13.33 N ATOM 1418 CA THR A 91 16.874 -1.049 2.870 1.00 64.24 C ATOM 1419 C THR A 91 18.396 -1.087 2.705 1.00 71.54 C ATOM 1420 O THR A 91 19.144 -0.828 3.645 1.00 31.33 O ATOM 1421 CB THR A 91 16.479 -2.140 3.897 1.00 64.31 C ATOM 1422 OG1 THR A 91 17.024 -3.413 3.507 1.00 12.42 O ATOM 1423 CG2 THR A 91 14.965 -2.262 4.019 1.00 71.23 C ATOM 0 H THR A 91 15.950 -2.216 1.380 1.00 13.33 H new ATOM 0 HA THR A 91 16.555 -0.073 3.237 1.00 64.24 H new ATOM 0 HB THR A 91 16.886 -1.845 4.864 1.00 64.31 H new ATOM 0 HG1 THR A 91 16.769 -4.093 4.165 1.00 12.42 H new ATOM 0 HG21 THR A 91 14.720 -3.035 4.747 1.00 71.23 H new ATOM 0 HG22 THR A 91 14.549 -1.310 4.347 1.00 71.23 H new ATOM 0 HG23 THR A 91 14.542 -2.528 3.050 1.00 71.23 H new ATOM 1431 N GLN A 92 18.841 -1.433 1.500 1.00 15.25 N ATOM 1432 CA GLN A 92 20.267 -1.544 1.191 1.00 64.12 C ATOM 1433 C GLN A 92 20.792 -0.256 0.536 1.00 15.23 C ATOM 1434 O GLN A 92 20.052 0.717 0.371 1.00 64.32 O ATOM 1435 CB GLN A 92 20.489 -2.754 0.273 1.00 3.23 C ATOM 1436 CG GLN A 92 20.028 -4.075 0.889 1.00 63.32 C ATOM 1437 CD GLN A 92 19.997 -5.220 -0.109 1.00 0.04 C ATOM 1438 OE1 GLN A 92 19.782 -5.017 -1.297 1.00 72.44 O ATOM 1439 NE2 GLN A 92 20.187 -6.432 0.368 1.00 23.15 N ATOM 0 H GLN A 92 18.228 -1.644 0.712 1.00 15.25 H new ATOM 0 HA GLN A 92 20.823 -1.687 2.117 1.00 64.12 H new ATOM 0 HB2 GLN A 92 19.956 -2.593 -0.664 1.00 3.23 H new ATOM 0 HB3 GLN A 92 21.549 -2.826 0.028 1.00 3.23 H new ATOM 0 HG2 GLN A 92 20.693 -4.337 1.712 1.00 63.32 H new ATOM 0 HG3 GLN A 92 19.032 -3.943 1.313 1.00 63.32 H new ATOM 0 HE21 GLN A 92 20.364 -6.566 1.364 1.00 23.15 H new ATOM 0 HE22 GLN A 92 20.157 -7.237 -0.258 1.00 23.15 H new ATOM 1448 N LYS A 93 22.069 -0.252 0.164 1.00 44.23 N ATOM 1449 CA LYS A 93 22.699 0.938 -0.421 1.00 30.43 C ATOM 1450 C LYS A 93 22.305 1.150 -1.897 1.00 31.22 C ATOM 1451 O LYS A 93 21.893 0.212 -2.590 1.00 71.54 O ATOM 1452 CB LYS A 93 24.234 0.859 -0.264 1.00 70.42 C ATOM 1453 CG LYS A 93 24.873 -0.458 -0.722 1.00 53.13 C ATOM 1454 CD LYS A 93 24.884 -0.620 -2.240 1.00 75.41 C ATOM 1455 CE LYS A 93 25.537 -1.930 -2.662 1.00 55.04 C ATOM 1456 NZ LYS A 93 26.959 -2.008 -2.229 1.00 12.21 N ATOM 0 H LYS A 93 22.691 -1.056 0.255 1.00 44.23 H new ATOM 0 HA LYS A 93 22.329 1.805 0.126 1.00 30.43 H new ATOM 0 HB2 LYS A 93 24.683 1.677 -0.828 1.00 70.42 H new ATOM 0 HB3 LYS A 93 24.484 1.020 0.785 1.00 70.42 H new ATOM 0 HG2 LYS A 93 25.896 -0.508 -0.350 1.00 53.13 H new ATOM 0 HG3 LYS A 93 24.331 -1.292 -0.277 1.00 53.13 H new ATOM 0 HD2 LYS A 93 23.862 -0.585 -2.617 1.00 75.41 H new ATOM 0 HD3 LYS A 93 25.419 0.215 -2.691 1.00 75.41 H new ATOM 0 HE2 LYS A 93 24.982 -2.766 -2.236 1.00 55.04 H new ATOM 0 HE3 LYS A 93 25.482 -2.030 -3.746 1.00 55.04 H new ATOM 0 HZ1 LYS A 93 27.427 -2.799 -2.715 1.00 12.21 H new ATOM 0 HZ2 LYS A 93 27.444 -1.119 -2.467 1.00 12.21 H new ATOM 0 HZ3 LYS A 93 27.001 -2.160 -1.201 1.00 12.21 H new ATOM 1470 N ASP A 94 22.430 2.397 -2.356 1.00 31.13 N ATOM 1471 CA ASP A 94 22.189 2.758 -3.761 1.00 1.33 C ATOM 1472 C ASP A 94 22.553 4.234 -4.007 1.00 23.11 C ATOM 1473 O ASP A 94 22.500 5.057 -3.089 1.00 45.44 O ATOM 1474 CB ASP A 94 20.727 2.490 -4.149 1.00 10.12 C ATOM 1475 CG ASP A 94 20.464 2.702 -5.632 1.00 42.04 C ATOM 1476 OD1 ASP A 94 21.359 2.388 -6.446 1.00 63.10 O ATOM 1477 OD2 ASP A 94 19.370 3.189 -5.987 1.00 75.14 O ATOM 0 H ASP A 94 22.700 3.186 -1.768 1.00 31.13 H new ATOM 0 HA ASP A 94 22.826 2.136 -4.389 1.00 1.33 H new ATOM 0 HB2 ASP A 94 20.466 1.466 -3.881 1.00 10.12 H new ATOM 0 HB3 ASP A 94 20.076 3.146 -3.571 1.00 10.12 H new ATOM 1482 N SER A 95 22.913 4.568 -5.247 1.00 2.32 N ATOM 1483 CA SER A 95 23.380 5.924 -5.582 1.00 42.01 C ATOM 1484 C SER A 95 22.209 6.921 -5.686 1.00 61.32 C ATOM 1485 O SER A 95 21.856 7.382 -6.776 1.00 61.35 O ATOM 1486 CB SER A 95 24.183 5.906 -6.892 1.00 30.41 C ATOM 1487 OG SER A 95 24.714 7.189 -7.189 1.00 15.40 O ATOM 0 H SER A 95 22.892 3.924 -6.038 1.00 2.32 H new ATOM 0 HA SER A 95 24.028 6.258 -4.772 1.00 42.01 H new ATOM 0 HB2 SER A 95 24.995 5.183 -6.813 1.00 30.41 H new ATOM 0 HB3 SER A 95 23.542 5.577 -7.710 1.00 30.41 H new ATOM 0 HG SER A 95 25.221 7.147 -8.027 1.00 15.40 H new ATOM 1493 N LYS A 96 21.603 7.234 -4.538 1.00 14.54 N ATOM 1494 CA LYS A 96 20.465 8.165 -4.466 1.00 41.52 C ATOM 1495 C LYS A 96 20.072 8.448 -3.006 1.00 73.03 C ATOM 1496 O LYS A 96 20.689 7.925 -2.078 1.00 11.42 O ATOM 1497 CB LYS A 96 19.261 7.602 -5.256 1.00 12.41 C ATOM 1498 CG LYS A 96 18.885 6.153 -4.909 1.00 21.52 C ATOM 1499 CD LYS A 96 18.074 6.041 -3.618 1.00 64.21 C ATOM 1500 CE LYS A 96 17.859 4.586 -3.209 1.00 13.35 C ATOM 1501 NZ LYS A 96 17.248 3.779 -4.298 1.00 53.13 N ATOM 0 H LYS A 96 21.883 6.853 -3.634 1.00 14.54 H new ATOM 0 HA LYS A 96 20.768 9.109 -4.918 1.00 41.52 H new ATOM 0 HB2 LYS A 96 18.396 8.240 -5.076 1.00 12.41 H new ATOM 0 HB3 LYS A 96 19.484 7.660 -6.321 1.00 12.41 H new ATOM 0 HG2 LYS A 96 18.311 5.725 -5.731 1.00 21.52 H new ATOM 0 HG3 LYS A 96 19.795 5.560 -4.813 1.00 21.52 H new ATOM 0 HD2 LYS A 96 18.590 6.571 -2.817 1.00 64.21 H new ATOM 0 HD3 LYS A 96 17.108 6.528 -3.752 1.00 64.21 H new ATOM 0 HE2 LYS A 96 18.815 4.145 -2.926 1.00 13.35 H new ATOM 0 HE3 LYS A 96 17.217 4.549 -2.329 1.00 13.35 H new ATOM 0 HZ1 LYS A 96 16.889 2.884 -3.908 1.00 53.13 H new ATOM 0 HZ2 LYS A 96 16.462 4.310 -4.725 1.00 53.13 H new ATOM 0 HZ3 LYS A 96 17.964 3.577 -5.024 1.00 53.13 H new ATOM 1515 N ASP A 97 19.051 9.279 -2.808 1.00 63.45 N ATOM 1516 CA ASP A 97 18.528 9.559 -1.466 1.00 72.01 C ATOM 1517 C ASP A 97 17.171 8.855 -1.241 1.00 21.43 C ATOM 1518 O ASP A 97 16.269 8.955 -2.076 1.00 10.21 O ATOM 1519 CB ASP A 97 18.377 11.069 -1.260 1.00 65.24 C ATOM 1520 CG ASP A 97 19.678 11.810 -1.497 1.00 10.22 C ATOM 1521 OD1 ASP A 97 20.536 11.830 -0.587 1.00 24.51 O ATOM 1522 OD2 ASP A 97 19.854 12.369 -2.598 1.00 32.33 O ATOM 0 H ASP A 97 18.567 9.772 -3.558 1.00 63.45 H new ATOM 0 HA ASP A 97 19.240 9.169 -0.738 1.00 72.01 H new ATOM 0 HB2 ASP A 97 17.614 11.452 -1.937 1.00 65.24 H new ATOM 0 HB3 ASP A 97 18.030 11.263 -0.245 1.00 65.24 H new ATOM 1527 N PRO A 98 17.013 8.125 -0.116 1.00 61.34 N ATOM 1528 CA PRO A 98 15.770 7.381 0.188 1.00 23.40 C ATOM 1529 C PRO A 98 14.526 8.284 0.291 1.00 30.01 C ATOM 1530 O PRO A 98 13.420 7.881 -0.077 1.00 34.34 O ATOM 1531 CB PRO A 98 16.070 6.719 1.546 1.00 21.13 C ATOM 1532 CG PRO A 98 17.558 6.710 1.652 1.00 20.15 C ATOM 1533 CD PRO A 98 18.026 7.950 0.941 1.00 10.42 C ATOM 0 HA PRO A 98 15.527 6.676 -0.607 1.00 23.40 H new ATOM 0 HB2 PRO A 98 15.620 7.279 2.366 1.00 21.13 H new ATOM 0 HB3 PRO A 98 15.665 5.708 1.590 1.00 21.13 H new ATOM 0 HG2 PRO A 98 17.876 6.713 2.695 1.00 20.15 H new ATOM 0 HG3 PRO A 98 17.977 5.814 1.194 1.00 20.15 H new ATOM 0 HD2 PRO A 98 18.064 8.809 1.610 1.00 10.42 H new ATOM 0 HD3 PRO A 98 19.026 7.825 0.526 1.00 10.42 H new ATOM 1541 N ASP A 99 14.717 9.497 0.805 1.00 5.05 N ATOM 1542 CA ASP A 99 13.625 10.465 0.970 1.00 12.43 C ATOM 1543 C ASP A 99 14.024 11.833 0.379 1.00 73.33 C ATOM 1544 O ASP A 99 15.179 12.248 0.476 1.00 64.11 O ATOM 1545 CB ASP A 99 13.259 10.596 2.457 1.00 70.32 C ATOM 1546 CG ASP A 99 12.676 9.308 3.031 1.00 74.33 C ATOM 1547 OD1 ASP A 99 13.435 8.337 3.241 1.00 4.25 O ATOM 1548 OD2 ASP A 99 11.451 9.249 3.260 1.00 1.24 O ATOM 0 H ASP A 99 15.625 9.839 1.118 1.00 5.05 H new ATOM 0 HA ASP A 99 12.749 10.106 0.429 1.00 12.43 H new ATOM 0 HB2 ASP A 99 14.148 10.873 3.024 1.00 70.32 H new ATOM 0 HB3 ASP A 99 12.538 11.404 2.581 1.00 70.32 H new ATOM 1553 N THR A 100 13.061 12.527 -0.234 1.00 22.41 N ATOM 1554 CA THR A 100 13.351 13.767 -0.986 1.00 53.21 C ATOM 1555 C THR A 100 12.836 15.035 -0.287 1.00 33.13 C ATOM 1556 O THR A 100 13.085 16.148 -0.757 1.00 53.05 O ATOM 1557 CB THR A 100 12.741 13.709 -2.412 1.00 21.14 C ATOM 1558 OG1 THR A 100 13.009 14.927 -3.127 1.00 63.04 O ATOM 1559 CG2 THR A 100 11.232 13.473 -2.356 1.00 54.43 C ATOM 0 H THR A 100 12.077 12.259 -0.229 1.00 22.41 H new ATOM 0 HA THR A 100 14.438 13.827 -1.038 1.00 53.21 H new ATOM 0 HB THR A 100 13.207 12.874 -2.936 1.00 21.14 H new ATOM 0 HG1 THR A 100 13.276 15.626 -2.494 1.00 63.04 H new ATOM 0 HG21 THR A 100 10.832 13.437 -3.369 1.00 54.43 H new ATOM 0 HG22 THR A 100 11.030 12.528 -1.852 1.00 54.43 H new ATOM 0 HG23 THR A 100 10.757 14.286 -1.807 1.00 54.43 H new ATOM 1567 N ASP A 101 12.131 14.879 0.828 1.00 32.21 N ATOM 1568 CA ASP A 101 11.511 16.018 1.511 1.00 70.05 C ATOM 1569 C ASP A 101 12.545 16.804 2.337 1.00 54.32 C ATOM 1570 O ASP A 101 13.453 16.226 2.938 1.00 0.35 O ATOM 1571 CB ASP A 101 10.359 15.535 2.399 1.00 3.30 C ATOM 1572 CG ASP A 101 10.826 14.634 3.529 1.00 44.41 C ATOM 1573 OD1 ASP A 101 11.434 13.578 3.241 1.00 74.44 O ATOM 1574 OD2 ASP A 101 10.602 14.987 4.711 1.00 11.12 O ATOM 0 H ASP A 101 11.972 13.979 1.281 1.00 32.21 H new ATOM 0 HA ASP A 101 11.112 16.694 0.755 1.00 70.05 H new ATOM 0 HB2 ASP A 101 9.843 16.399 2.818 1.00 3.30 H new ATOM 0 HB3 ASP A 101 9.635 14.997 1.787 1.00 3.30 H new ATOM 1579 N LEU A 102 12.406 18.125 2.354 1.00 61.42 N ATOM 1580 CA LEU A 102 13.345 18.994 3.069 1.00 2.43 C ATOM 1581 C LEU A 102 12.728 19.561 4.357 1.00 73.15 C ATOM 1582 O LEU A 102 11.894 20.472 4.320 1.00 34.43 O ATOM 1583 CB LEU A 102 13.801 20.136 2.151 1.00 65.01 C ATOM 1584 CG LEU A 102 14.789 21.140 2.774 1.00 10.54 C ATOM 1585 CD1 LEU A 102 16.075 20.442 3.210 1.00 62.42 C ATOM 1586 CD2 LEU A 102 15.093 22.269 1.790 1.00 34.05 C ATOM 0 H LEU A 102 11.652 18.622 1.881 1.00 61.42 H new ATOM 0 HA LEU A 102 14.207 18.392 3.356 1.00 2.43 H new ATOM 0 HB2 LEU A 102 14.263 19.702 1.264 1.00 65.01 H new ATOM 0 HB3 LEU A 102 12.919 20.682 1.816 1.00 65.01 H new ATOM 0 HG LEU A 102 14.324 21.570 3.661 1.00 10.54 H new ATOM 0 HD11 LEU A 102 16.756 21.173 3.647 1.00 62.42 H new ATOM 0 HD12 LEU A 102 15.841 19.677 3.950 1.00 62.42 H new ATOM 0 HD13 LEU A 102 16.548 19.977 2.345 1.00 62.42 H new ATOM 0 HD21 LEU A 102 15.793 22.970 2.245 1.00 34.05 H new ATOM 0 HD22 LEU A 102 15.534 21.853 0.884 1.00 34.05 H new ATOM 0 HD23 LEU A 102 14.170 22.790 1.538 1.00 34.05 H new ATOM 1598 N ILE A 103 13.134 19.010 5.495 1.00 22.12 N ATOM 1599 CA ILE A 103 12.706 19.525 6.796 1.00 42.11 C ATOM 1600 C ILE A 103 13.633 20.665 7.252 1.00 25.54 C ATOM 1601 O ILE A 103 14.737 20.431 7.752 1.00 21.32 O ATOM 1602 CB ILE A 103 12.673 18.403 7.864 1.00 31.04 C ATOM 1603 CG1 ILE A 103 11.719 17.278 7.425 1.00 72.34 C ATOM 1604 CG2 ILE A 103 12.258 18.965 9.227 1.00 41.24 C ATOM 1605 CD1 ILE A 103 11.619 16.133 8.411 1.00 42.42 C ATOM 0 H ILE A 103 13.760 18.206 5.546 1.00 22.12 H new ATOM 0 HA ILE A 103 11.694 19.913 6.684 1.00 42.11 H new ATOM 0 HB ILE A 103 13.676 17.988 7.962 1.00 31.04 H new ATOM 0 HG12 ILE A 103 10.725 17.698 7.271 1.00 72.34 H new ATOM 0 HG13 ILE A 103 12.053 16.888 6.464 1.00 72.34 H new ATOM 0 HG21 ILE A 103 12.241 18.161 9.962 1.00 41.24 H new ATOM 0 HG22 ILE A 103 12.972 19.727 9.539 1.00 41.24 H new ATOM 0 HG23 ILE A 103 11.265 19.408 9.151 1.00 41.24 H new ATOM 0 HD11 ILE A 103 10.928 15.382 8.028 1.00 42.42 H new ATOM 0 HD12 ILE A 103 12.603 15.684 8.548 1.00 42.42 H new ATOM 0 HD13 ILE A 103 11.255 16.507 9.368 1.00 42.42 H new ATOM 1617 N VAL A 104 13.179 21.899 7.048 1.00 51.23 N ATOM 1618 CA VAL A 104 13.968 23.090 7.379 1.00 2.11 C ATOM 1619 C VAL A 104 14.275 23.171 8.889 1.00 14.24 C ATOM 1620 O VAL A 104 13.376 23.023 9.717 1.00 22.41 O ATOM 1621 CB VAL A 104 13.231 24.378 6.924 1.00 61.32 C ATOM 1622 CG1 VAL A 104 14.066 25.626 7.216 1.00 13.10 C ATOM 1623 CG2 VAL A 104 12.878 24.290 5.438 1.00 4.51 C ATOM 0 H VAL A 104 12.262 22.104 6.652 1.00 51.23 H new ATOM 0 HA VAL A 104 14.914 23.008 6.844 1.00 2.11 H new ATOM 0 HB VAL A 104 12.306 24.462 7.495 1.00 61.32 H new ATOM 0 HG11 VAL A 104 13.524 26.512 6.886 1.00 13.10 H new ATOM 0 HG12 VAL A 104 14.256 25.694 8.287 1.00 13.10 H new ATOM 0 HG13 VAL A 104 15.015 25.562 6.683 1.00 13.10 H new ATOM 0 HG21 VAL A 104 12.362 25.200 5.132 1.00 4.51 H new ATOM 0 HG22 VAL A 104 13.791 24.177 4.853 1.00 4.51 H new ATOM 0 HG23 VAL A 104 12.230 23.430 5.268 1.00 4.51 H new ATOM 1633 N PRO A 105 15.558 23.391 9.263 1.00 24.41 N ATOM 1634 CA PRO A 105 15.971 23.512 10.677 1.00 73.22 C ATOM 1635 C PRO A 105 15.128 24.527 11.472 1.00 23.34 C ATOM 1636 O PRO A 105 14.818 25.616 10.980 1.00 64.10 O ATOM 1637 CB PRO A 105 17.428 23.985 10.577 1.00 25.45 C ATOM 1638 CG PRO A 105 17.899 23.457 9.264 1.00 34.53 C ATOM 1639 CD PRO A 105 16.707 23.524 8.343 1.00 41.33 C ATOM 0 HA PRO A 105 15.841 22.572 11.214 1.00 73.22 H new ATOM 0 HB2 PRO A 105 17.497 25.072 10.616 1.00 25.45 H new ATOM 0 HB3 PRO A 105 18.029 23.598 11.400 1.00 25.45 H new ATOM 0 HG2 PRO A 105 18.726 24.052 8.877 1.00 34.53 H new ATOM 0 HG3 PRO A 105 18.261 22.433 9.361 1.00 34.53 H new ATOM 0 HD2 PRO A 105 16.676 24.465 7.794 1.00 41.33 H new ATOM 0 HD3 PRO A 105 16.725 22.724 7.603 1.00 41.33 H new ATOM 1647 N ASN A 106 14.776 24.157 12.705 1.00 14.35 N ATOM 1648 CA ASN A 106 13.941 24.991 13.578 1.00 15.13 C ATOM 1649 C ASN A 106 12.533 25.192 12.989 1.00 61.40 C ATOM 1650 O ASN A 106 12.133 26.304 12.627 1.00 72.32 O ATOM 1651 CB ASN A 106 14.621 26.338 13.874 1.00 2.02 C ATOM 1652 CG ASN A 106 15.902 26.170 14.675 1.00 45.42 C ATOM 1653 OD1 ASN A 106 16.575 25.146 14.595 1.00 3.32 O ATOM 1654 ND2 ASN A 106 16.262 27.176 15.446 1.00 41.30 N ATOM 0 H ASN A 106 15.060 23.273 13.128 1.00 14.35 H new ATOM 0 HA ASN A 106 13.825 24.462 14.524 1.00 15.13 H new ATOM 0 HB2 ASN A 106 14.845 26.844 12.935 1.00 2.02 H new ATOM 0 HB3 ASN A 106 13.931 26.978 14.424 1.00 2.02 H new ATOM 0 HD21 ASN A 106 17.119 27.116 15.996 1.00 41.30 H new ATOM 0 HD22 ASN A 106 15.684 28.015 15.493 1.00 41.30 H new ATOM 1661 N LEU A 107 11.803 24.086 12.877 1.00 33.51 N ATOM 1662 CA LEU A 107 10.406 24.094 12.440 1.00 12.03 C ATOM 1663 C LEU A 107 9.544 23.420 13.521 1.00 34.12 C ATOM 1664 O LEU A 107 9.375 22.198 13.528 1.00 60.30 O ATOM 1665 CB LEU A 107 10.277 23.371 11.078 1.00 52.00 C ATOM 1666 CG LEU A 107 8.983 23.633 10.272 1.00 21.23 C ATOM 1667 CD1 LEU A 107 9.138 23.131 8.838 1.00 11.32 C ATOM 1668 CD2 LEU A 107 7.767 22.973 10.925 1.00 72.14 C ATOM 0 H LEU A 107 12.163 23.155 13.087 1.00 33.51 H new ATOM 0 HA LEU A 107 10.057 25.118 12.304 1.00 12.03 H new ATOM 0 HB2 LEU A 107 11.127 23.657 10.459 1.00 52.00 H new ATOM 0 HB3 LEU A 107 10.357 22.298 11.253 1.00 52.00 H new ATOM 0 HG LEU A 107 8.817 24.710 10.262 1.00 21.23 H new ATOM 0 HD11 LEU A 107 8.219 23.323 8.284 1.00 11.32 H new ATOM 0 HD12 LEU A 107 9.967 23.652 8.358 1.00 11.32 H new ATOM 0 HD13 LEU A 107 9.339 22.060 8.847 1.00 11.32 H new ATOM 0 HD21 LEU A 107 6.878 23.180 10.330 1.00 72.14 H new ATOM 0 HD22 LEU A 107 7.924 21.896 10.981 1.00 72.14 H new ATOM 0 HD23 LEU A 107 7.632 23.373 11.930 1.00 72.14 H new ATOM 1680 N GLU A 108 9.029 24.221 14.451 1.00 63.13 N ATOM 1681 CA GLU A 108 8.315 23.696 15.618 1.00 72.42 C ATOM 1682 C GLU A 108 6.876 23.286 15.279 1.00 63.24 C ATOM 1683 O GLU A 108 5.930 24.046 15.485 1.00 60.44 O ATOM 1684 CB GLU A 108 8.327 24.724 16.764 1.00 62.03 C ATOM 1685 CG GLU A 108 9.675 24.859 17.477 1.00 31.03 C ATOM 1686 CD GLU A 108 10.822 25.236 16.548 1.00 0.00 C ATOM 1687 OE1 GLU A 108 10.960 26.431 16.220 1.00 73.02 O ATOM 1688 OE2 GLU A 108 11.597 24.336 16.152 1.00 11.40 O ATOM 0 H GLU A 108 9.092 25.239 14.421 1.00 63.13 H new ATOM 0 HA GLU A 108 8.840 22.797 15.941 1.00 72.42 H new ATOM 0 HB2 GLU A 108 8.041 25.698 16.366 1.00 62.03 H new ATOM 0 HB3 GLU A 108 7.569 24.444 17.495 1.00 62.03 H new ATOM 0 HG2 GLU A 108 9.589 25.614 18.259 1.00 31.03 H new ATOM 0 HG3 GLU A 108 9.912 23.916 17.969 1.00 31.03 H new ATOM 1695 N HIS A 109 6.722 22.080 14.743 1.00 51.01 N ATOM 1696 CA HIS A 109 5.401 21.511 14.478 1.00 12.12 C ATOM 1697 C HIS A 109 4.912 20.713 15.699 1.00 44.53 C ATOM 1698 O HIS A 109 5.241 19.538 15.857 1.00 74.32 O ATOM 1699 CB HIS A 109 5.460 20.616 13.228 1.00 24.35 C ATOM 1700 CG HIS A 109 4.144 20.007 12.842 1.00 4.02 C ATOM 1701 ND1 HIS A 109 3.255 20.614 11.981 1.00 42.12 N ATOM 1702 CD2 HIS A 109 3.574 18.829 13.190 1.00 2.04 C ATOM 1703 CE1 HIS A 109 2.201 19.843 11.821 1.00 31.14 C ATOM 1704 NE2 HIS A 109 2.368 18.752 12.541 1.00 31.01 N ATOM 0 H HIS A 109 7.499 21.473 14.482 1.00 51.01 H new ATOM 0 HA HIS A 109 4.693 22.319 14.294 1.00 12.12 H new ATOM 0 HB2 HIS A 109 5.834 21.205 12.391 1.00 24.35 H new ATOM 0 HB3 HIS A 109 6.180 19.816 13.402 1.00 24.35 H new ATOM 0 HD2 HIS A 109 3.991 18.088 13.855 1.00 2.04 H new ATOM 0 HE1 HIS A 109 1.343 20.067 11.204 1.00 31.14 H new ATOM 0 HE2 HIS A 109 1.708 17.977 12.605 1.00 31.01 H new ATOM 1713 N HIS A 110 4.147 21.364 16.577 1.00 3.42 N ATOM 1714 CA HIS A 110 3.667 20.724 17.810 1.00 55.43 C ATOM 1715 C HIS A 110 2.151 20.907 18.007 1.00 2.30 C ATOM 1716 O HIS A 110 1.361 20.046 17.612 1.00 34.15 O ATOM 1717 CB HIS A 110 4.421 21.270 19.033 1.00 13.34 C ATOM 1718 CG HIS A 110 5.902 21.050 18.989 1.00 72.04 C ATOM 1719 ND1 HIS A 110 6.815 22.078 18.910 1.00 21.01 N ATOM 1720 CD2 HIS A 110 6.632 19.909 19.027 1.00 34.41 C ATOM 1721 CE1 HIS A 110 8.036 21.585 18.902 1.00 33.33 C ATOM 1722 NE2 HIS A 110 7.953 20.275 18.972 1.00 12.03 N ATOM 0 H HIS A 110 3.845 22.331 16.461 1.00 3.42 H new ATOM 0 HA HIS A 110 3.864 19.656 17.711 1.00 55.43 H new ATOM 0 HB2 HIS A 110 4.226 22.339 19.119 1.00 13.34 H new ATOM 0 HB3 HIS A 110 4.022 20.800 19.932 1.00 13.34 H new ATOM 0 HD2 HIS A 110 6.247 18.902 19.089 1.00 34.41 H new ATOM 0 HE1 HIS A 110 8.949 22.159 18.847 1.00 33.33 H new ATOM 0 HE2 HIS A 110 8.745 19.633 18.984 1.00 12.03 H new ATOM 1731 N HIS A 111 1.761 22.035 18.605 1.00 53.14 N ATOM 1732 CA HIS A 111 0.367 22.286 18.996 1.00 20.11 C ATOM 1733 C HIS A 111 -0.157 21.228 19.990 1.00 61.44 C ATOM 1734 O HIS A 111 -0.828 20.267 19.611 1.00 62.44 O ATOM 1735 CB HIS A 111 -0.558 22.389 17.771 1.00 15.32 C ATOM 1736 CG HIS A 111 -0.385 23.662 16.993 1.00 42.54 C ATOM 1737 ND1 HIS A 111 -0.179 23.703 15.630 1.00 25.14 N ATOM 1738 CD2 HIS A 111 -0.426 24.955 17.400 1.00 55.25 C ATOM 1739 CE1 HIS A 111 -0.100 24.958 15.235 1.00 33.43 C ATOM 1740 NE2 HIS A 111 -0.247 25.737 16.286 1.00 3.24 N ATOM 0 H HIS A 111 2.398 22.799 18.832 1.00 53.14 H new ATOM 0 HA HIS A 111 0.357 23.249 19.506 1.00 20.11 H new ATOM 0 HB2 HIS A 111 -0.370 21.542 17.112 1.00 15.32 H new ATOM 0 HB3 HIS A 111 -1.594 22.312 18.101 1.00 15.32 H new ATOM 0 HD2 HIS A 111 -0.572 25.304 18.411 1.00 55.25 H new ATOM 0 HE1 HIS A 111 0.059 25.291 14.220 1.00 33.43 H new ATOM 0 HE2 HIS A 111 -0.231 26.757 16.274 1.00 3.24 H new ATOM 1749 N HIS A 112 0.187 21.409 21.264 1.00 70.14 N ATOM 1750 CA HIS A 112 -0.304 20.554 22.352 1.00 45.22 C ATOM 1751 C HIS A 112 -0.994 21.408 23.424 1.00 54.22 C ATOM 1752 O HIS A 112 -0.351 22.225 24.089 1.00 63.35 O ATOM 1753 CB HIS A 112 0.849 19.757 22.977 1.00 11.34 C ATOM 1754 CG HIS A 112 1.356 18.638 22.120 1.00 0.40 C ATOM 1755 ND1 HIS A 112 1.194 17.310 22.447 1.00 5.21 N ATOM 1756 CD2 HIS A 112 2.024 18.650 20.941 1.00 51.33 C ATOM 1757 CE1 HIS A 112 1.741 16.558 21.515 1.00 22.34 C ATOM 1758 NE2 HIS A 112 2.250 17.343 20.589 1.00 72.20 N ATOM 0 H HIS A 112 0.814 22.151 21.575 1.00 70.14 H new ATOM 0 HA HIS A 112 -1.026 19.851 21.938 1.00 45.22 H new ATOM 0 HB2 HIS A 112 1.673 20.438 23.191 1.00 11.34 H new ATOM 0 HB3 HIS A 112 0.518 19.348 23.931 1.00 11.34 H new ATOM 0 HD2 HIS A 112 2.323 19.525 20.383 1.00 51.33 H new ATOM 0 HE1 HIS A 112 1.768 15.478 21.511 1.00 22.34 H new ATOM 0 HE2 HIS A 112 2.734 17.031 19.747 1.00 72.20 H new ATOM 1767 N HIS A 113 -2.298 21.212 23.594 1.00 23.11 N ATOM 1768 CA HIS A 113 -3.088 22.030 24.519 1.00 73.02 C ATOM 1769 C HIS A 113 -2.784 21.706 25.993 1.00 53.41 C ATOM 1770 O HIS A 113 -3.479 20.908 26.631 1.00 31.15 O ATOM 1771 CB HIS A 113 -4.585 21.869 24.224 1.00 13.03 C ATOM 1772 CG HIS A 113 -4.973 22.360 22.861 1.00 44.44 C ATOM 1773 ND1 HIS A 113 -5.102 21.531 21.769 1.00 3.21 N ATOM 1774 CD2 HIS A 113 -5.257 23.608 22.415 1.00 72.34 C ATOM 1775 CE1 HIS A 113 -5.446 22.243 20.715 1.00 33.44 C ATOM 1776 NE2 HIS A 113 -5.546 23.503 21.078 1.00 35.40 N ATOM 0 H HIS A 113 -2.833 20.495 23.105 1.00 23.11 H new ATOM 0 HA HIS A 113 -2.803 23.070 24.359 1.00 73.02 H new ATOM 0 HB2 HIS A 113 -4.856 20.817 24.315 1.00 13.03 H new ATOM 0 HB3 HIS A 113 -5.158 22.412 24.976 1.00 13.03 H new ATOM 0 HD2 HIS A 113 -5.256 24.515 23.002 1.00 72.34 H new ATOM 0 HE1 HIS A 113 -5.617 21.857 19.721 1.00 33.44 H new ATOM 0 HE2 HIS A 113 -5.798 24.278 20.464 1.00 35.40 H new ATOM 1785 N HIS A 114 -1.718 22.316 26.511 1.00 75.03 N ATOM 1786 CA HIS A 114 -1.353 22.218 27.932 1.00 72.54 C ATOM 1787 C HIS A 114 -0.304 23.282 28.307 1.00 1.05 C ATOM 1788 O HIS A 114 0.870 23.137 27.901 1.00 36.46 O ATOM 1789 CB HIS A 114 -0.817 20.818 28.278 1.00 52.31 C ATOM 1790 CG HIS A 114 -0.467 20.668 29.732 1.00 50.00 C ATOM 1791 ND1 HIS A 114 -1.413 20.462 30.710 1.00 21.31 N ATOM 1792 CD2 HIS A 114 0.726 20.733 30.376 1.00 11.54 C ATOM 1793 CE1 HIS A 114 -0.826 20.410 31.888 1.00 43.04 C ATOM 1794 NE2 HIS A 114 0.471 20.572 31.716 1.00 31.10 N ATOM 1795 OXT HIS A 114 -0.653 24.250 29.016 1.00 36.46 O ATOM 0 H HIS A 114 -1.081 22.893 25.961 1.00 75.03 H new ATOM 0 HA HIS A 114 -2.260 22.395 28.510 1.00 72.54 H new ATOM 0 HB2 HIS A 114 -1.565 20.072 28.011 1.00 52.31 H new ATOM 0 HB3 HIS A 114 0.067 20.613 27.674 1.00 52.31 H new ATOM 0 HD2 HIS A 114 1.694 20.883 29.921 1.00 11.54 H new ATOM 0 HE1 HIS A 114 -1.323 20.260 32.835 1.00 43.04 H new ATOM 0 HE2 HIS A 114 1.171 20.577 32.458 1.00 31.10 H new TER 1804 HIS A 114