USER MOD reduce.3.24.130724 H: found=0, std=0, add=1153, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1153 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 72 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 TYR OH : rot 165:sc= 0 USER MOD Set 2.1: A 65 LYS NZ :NH3+ -151:sc= 1.03 (180deg=0.055) USER MOD Set 2.2: A 100 GLN : amide:sc= -0.148 K(o=0.88,f=-11!) USER MOD Set 3.1: A 33 ASN : amide:sc= -0.266 K(o=-0.53,f=-1.6) USER MOD Set 3.2: A 59 ASN : amide:sc= -0.262 X(o=-0.53,f=-0.53) USER MOD Set 4.1: A 10 ASN : amide:sc= 0.269 K(o=0.29,f=-0.55) USER MOD Set 4.2: A 85 GLN : amide:sc= 0.016 X(o=0.29,f=-0.2) USER MOD Set 5.1: A 9 THR OG1 : rot 54:sc= 0.91 USER MOD Set 5.2: A 83 GLN : amide:sc= -0.708! X(o=0.2!,f=0.13) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0883 (180deg=-0.504) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -115:sc= 0.466 (180deg=0.373) USER MOD Single : A 8 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 11 ASN : amide:sc= -1.69! X(o=-1.7!,f=-1.5) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc=-0.00616 (180deg=-0.0837) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.625 X(o=-0.62,f=-0.46) USER MOD Single : A 25 GLN : amide:sc=-0.00283 X(o=-0.0028,f=-0.055) USER MOD Single : A 27 TYR OH : rot 150:sc= -1.61! USER MOD Single : A 28 GLN : amide:sc= 0.154 K(o=0.15,f=-2.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -106:sc= 0.634 (180deg=-0.212) USER MOD Single : A 42 MET CE :methyl -170:sc= -0.238 (180deg=-0.297) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= 0.356 (180deg=0.124) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.041) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 52:sc= 0.0416 USER MOD Single : A 61 LYS NZ :NH3+ -140:sc= -0.944 (180deg=-4.09!) USER MOD Single : A 62 GLN : amide:sc= -0.0666 X(o=-0.067,f=-0.067) USER MOD Single : A 67 MET CE :methyl -117:sc= -0.398 (180deg=-1.73!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -135:sc= 0.54 USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= 0.504 (180deg=-0.674) USER MOD Single : A 88 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= -0.0189 (180deg=-0.173) USER MOD Single : A 99 SER OG : rot 77:sc= 1.75 USER MOD Single : A 106 LYS NZ :NH3+ 176:sc= 0.597 (180deg=0.594) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -125:sc= -0.195 (180deg=-2.32!) USER MOD Single : A 122 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 169:sc= 0.164 (180deg=0.123) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HE2:sc= 0.153 K(o=0.15,f=-2.6) USER MOD Single : A 130 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.018) USER MOD Single : A 131 HIS : no HD1:sc= -0.0023 X(o=-0.0023,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 134 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.781 9.105 5.722 1.00 30.21 N ATOM 2 CA MET A 1 -13.338 9.126 5.423 1.00 60.42 C ATOM 3 C MET A 1 -12.878 7.732 4.954 1.00 32.55 C ATOM 4 O MET A 1 -13.133 6.734 5.636 1.00 22.45 O ATOM 5 CB MET A 1 -12.547 9.590 6.677 1.00 13.25 C ATOM 6 CG MET A 1 -11.051 9.838 6.441 1.00 33.30 C ATOM 7 SD MET A 1 -10.195 10.452 7.912 1.00 32.22 S ATOM 8 CE MET A 1 -10.987 12.045 8.149 1.00 42.02 C ATOM 0 H1 MET A 1 -15.084 10.049 6.038 1.00 30.21 H new ATOM 0 H2 MET A 1 -15.309 8.840 4.866 1.00 30.21 H new ATOM 0 H3 MET A 1 -14.970 8.411 6.474 1.00 30.21 H new ATOM 0 HA MET A 1 -13.142 9.834 4.618 1.00 60.42 H new ATOM 0 HB2 MET A 1 -12.998 10.508 7.054 1.00 13.25 H new ATOM 0 HB3 MET A 1 -12.657 8.837 7.457 1.00 13.25 H new ATOM 0 HG2 MET A 1 -10.582 8.910 6.115 1.00 33.30 H new ATOM 0 HG3 MET A 1 -10.931 10.557 5.631 1.00 33.30 H new ATOM 0 HE1 MET A 1 -10.360 12.672 8.782 1.00 42.02 H new ATOM 0 HE2 MET A 1 -11.126 12.529 7.183 1.00 42.02 H new ATOM 0 HE3 MET A 1 -11.956 11.902 8.626 1.00 42.02 H new ATOM 20 N LYS A 2 -12.248 7.661 3.757 1.00 12.20 N ATOM 21 CA LYS A 2 -11.619 6.418 3.255 1.00 15.32 C ATOM 22 C LYS A 2 -10.095 6.537 3.369 1.00 34.13 C ATOM 23 O LYS A 2 -9.542 7.641 3.321 1.00 24.21 O ATOM 24 CB LYS A 2 -12.003 6.110 1.771 1.00 54.34 C ATOM 25 CG LYS A 2 -13.513 6.181 1.459 1.00 1.20 C ATOM 26 CD LYS A 2 -13.884 5.600 0.071 1.00 74.35 C ATOM 27 CE LYS A 2 -13.809 4.067 0.017 1.00 14.52 C ATOM 28 NZ LYS A 2 -14.771 3.423 0.958 1.00 44.03 N ATOM 0 H LYS A 2 -12.162 8.453 3.120 1.00 12.20 H new ATOM 0 HA LYS A 2 -11.989 5.595 3.867 1.00 15.32 H new ATOM 0 HB2 LYS A 2 -11.480 6.813 1.123 1.00 54.34 H new ATOM 0 HB3 LYS A 2 -11.642 5.113 1.517 1.00 54.34 H new ATOM 0 HG2 LYS A 2 -14.061 5.639 2.230 1.00 1.20 H new ATOM 0 HG3 LYS A 2 -13.838 7.220 1.508 1.00 1.20 H new ATOM 0 HD2 LYS A 2 -14.893 5.917 -0.190 1.00 74.35 H new ATOM 0 HD3 LYS A 2 -13.214 6.017 -0.681 1.00 74.35 H new ATOM 0 HE2 LYS A 2 -14.016 3.730 -0.999 1.00 14.52 H new ATOM 0 HE3 LYS A 2 -12.796 3.746 0.259 1.00 14.52 H new ATOM 0 HZ1 LYS A 2 -14.246 2.907 1.693 1.00 44.03 H new ATOM 0 HZ2 LYS A 2 -15.362 4.153 1.404 1.00 44.03 H new ATOM 0 HZ3 LYS A 2 -15.377 2.759 0.435 1.00 44.03 H new ATOM 42 N GLU A 3 -9.436 5.391 3.540 1.00 23.35 N ATOM 43 CA GLU A 3 -7.965 5.281 3.551 1.00 1.41 C ATOM 44 C GLU A 3 -7.532 4.273 2.498 1.00 53.42 C ATOM 45 O GLU A 3 -8.269 3.327 2.182 1.00 62.13 O ATOM 46 CB GLU A 3 -7.393 4.834 4.924 1.00 51.23 C ATOM 47 CG GLU A 3 -7.620 5.798 6.099 1.00 21.04 C ATOM 48 CD GLU A 3 -9.073 5.869 6.576 1.00 14.13 C ATOM 49 OE1 GLU A 3 -9.654 4.814 6.864 1.00 52.21 O ATOM 50 OE2 GLU A 3 -9.627 6.970 6.693 1.00 40.22 O ATOM 0 H GLU A 3 -9.909 4.498 3.677 1.00 23.35 H new ATOM 0 HA GLU A 3 -7.574 6.277 3.342 1.00 1.41 H new ATOM 0 HB2 GLU A 3 -7.833 3.870 5.181 1.00 51.23 H new ATOM 0 HB3 GLU A 3 -6.320 4.675 4.813 1.00 51.23 H new ATOM 0 HG2 GLU A 3 -6.989 5.492 6.934 1.00 21.04 H new ATOM 0 HG3 GLU A 3 -7.296 6.796 5.804 1.00 21.04 H new ATOM 57 N LEU A 4 -6.345 4.492 1.940 1.00 62.51 N ATOM 58 CA LEU A 4 -5.734 3.567 0.984 1.00 50.55 C ATOM 59 C LEU A 4 -4.311 3.257 1.450 1.00 20.50 C ATOM 60 O LEU A 4 -3.455 4.142 1.465 1.00 22.51 O ATOM 61 CB LEU A 4 -5.731 4.148 -0.461 1.00 10.53 C ATOM 62 CG LEU A 4 -7.065 4.066 -1.284 1.00 13.24 C ATOM 63 CD1 LEU A 4 -7.551 2.607 -1.423 1.00 24.33 C ATOM 64 CD2 LEU A 4 -8.180 4.987 -0.744 1.00 73.00 C ATOM 0 H LEU A 4 -5.777 5.316 2.137 1.00 62.51 H new ATOM 0 HA LEU A 4 -6.323 2.650 0.950 1.00 50.55 H new ATOM 0 HB2 LEU A 4 -5.439 5.196 -0.400 1.00 10.53 H new ATOM 0 HB3 LEU A 4 -4.955 3.633 -1.028 1.00 10.53 H new ATOM 0 HG LEU A 4 -6.827 4.442 -2.279 1.00 13.24 H new ATOM 0 HD11 LEU A 4 -8.477 2.585 -1.998 1.00 24.33 H new ATOM 0 HD12 LEU A 4 -6.791 2.018 -1.936 1.00 24.33 H new ATOM 0 HD13 LEU A 4 -7.729 2.187 -0.433 1.00 24.33 H new ATOM 0 HD21 LEU A 4 -9.072 4.879 -1.361 1.00 73.00 H new ATOM 0 HD22 LEU A 4 -8.414 4.711 0.284 1.00 73.00 H new ATOM 0 HD23 LEU A 4 -7.842 6.023 -0.773 1.00 73.00 H new ATOM 76 N ILE A 5 -4.087 2.000 1.854 1.00 5.31 N ATOM 77 CA ILE A 5 -2.759 1.490 2.222 1.00 23.25 C ATOM 78 C ILE A 5 -2.170 0.742 1.018 1.00 4.02 C ATOM 79 O ILE A 5 -2.786 -0.185 0.499 1.00 33.33 O ATOM 80 CB ILE A 5 -2.822 0.552 3.489 1.00 14.32 C ATOM 81 CG1 ILE A 5 -1.441 -0.116 3.794 1.00 42.23 C ATOM 82 CG2 ILE A 5 -3.937 -0.501 3.360 1.00 31.34 C ATOM 83 CD1 ILE A 5 -1.426 -1.038 5.012 1.00 20.22 C ATOM 0 H ILE A 5 -4.827 1.303 1.935 1.00 5.31 H new ATOM 0 HA ILE A 5 -2.118 2.331 2.487 1.00 23.25 H new ATOM 0 HB ILE A 5 -3.066 1.188 4.340 1.00 14.32 H new ATOM 0 HG12 ILE A 5 -1.130 -0.688 2.920 1.00 42.23 H new ATOM 0 HG13 ILE A 5 -0.699 0.669 3.942 1.00 42.23 H new ATOM 0 HG21 ILE A 5 -3.950 -1.128 4.251 1.00 31.34 H new ATOM 0 HG22 ILE A 5 -4.900 -0.001 3.255 1.00 31.34 H new ATOM 0 HG23 ILE A 5 -3.752 -1.121 2.483 1.00 31.34 H new ATOM 0 HD11 ILE A 5 -0.427 -1.453 5.142 1.00 20.22 H new ATOM 0 HD12 ILE A 5 -1.702 -0.471 5.901 1.00 20.22 H new ATOM 0 HD13 ILE A 5 -2.139 -1.849 4.863 1.00 20.22 H new ATOM 95 N LEU A 6 -1.000 1.179 0.555 1.00 44.14 N ATOM 96 CA LEU A 6 -0.309 0.567 -0.586 1.00 75.30 C ATOM 97 C LEU A 6 0.879 -0.243 -0.052 1.00 34.53 C ATOM 98 O LEU A 6 1.739 0.309 0.627 1.00 12.31 O ATOM 99 CB LEU A 6 0.161 1.650 -1.595 1.00 14.33 C ATOM 100 CG LEU A 6 -0.955 2.454 -2.355 1.00 1.35 C ATOM 101 CD1 LEU A 6 -1.706 3.447 -1.439 1.00 50.24 C ATOM 102 CD2 LEU A 6 -0.367 3.172 -3.584 1.00 3.14 C ATOM 0 H LEU A 6 -0.500 1.970 0.960 1.00 44.14 H new ATOM 0 HA LEU A 6 -0.991 -0.093 -1.122 1.00 75.30 H new ATOM 0 HB2 LEU A 6 0.786 2.364 -1.058 1.00 14.33 H new ATOM 0 HB3 LEU A 6 0.795 1.167 -2.338 1.00 14.33 H new ATOM 0 HG LEU A 6 -1.693 1.727 -2.694 1.00 1.35 H new ATOM 0 HD11 LEU A 6 -2.465 3.974 -2.018 1.00 50.24 H new ATOM 0 HD12 LEU A 6 -2.184 2.901 -0.626 1.00 50.24 H new ATOM 0 HD13 LEU A 6 -0.999 4.167 -1.026 1.00 50.24 H new ATOM 0 HD21 LEU A 6 -1.156 3.723 -4.096 1.00 3.14 H new ATOM 0 HD22 LEU A 6 0.410 3.866 -3.263 1.00 3.14 H new ATOM 0 HD23 LEU A 6 0.062 2.436 -4.264 1.00 3.14 H new ATOM 114 N ILE A 7 0.901 -1.553 -0.342 1.00 33.45 N ATOM 115 CA ILE A 7 1.979 -2.460 0.085 1.00 12.13 C ATOM 116 C ILE A 7 2.958 -2.655 -1.086 1.00 3.13 C ATOM 117 O ILE A 7 2.539 -2.784 -2.226 1.00 33.43 O ATOM 118 CB ILE A 7 1.434 -3.872 0.581 1.00 32.23 C ATOM 119 CG1 ILE A 7 0.670 -3.772 1.951 1.00 41.15 C ATOM 120 CG2 ILE A 7 2.572 -4.915 0.692 1.00 1.35 C ATOM 121 CD1 ILE A 7 -0.653 -3.043 1.903 1.00 73.23 C ATOM 0 H ILE A 7 0.169 -2.015 -0.881 1.00 33.45 H new ATOM 0 HA ILE A 7 2.483 -2.003 0.936 1.00 12.13 H new ATOM 0 HB ILE A 7 0.724 -4.203 -0.177 1.00 32.23 H new ATOM 0 HG12 ILE A 7 0.496 -4.781 2.325 1.00 41.15 H new ATOM 0 HG13 ILE A 7 1.316 -3.271 2.672 1.00 41.15 H new ATOM 0 HG21 ILE A 7 2.162 -5.866 1.033 1.00 1.35 H new ATOM 0 HG22 ILE A 7 3.038 -5.050 -0.284 1.00 1.35 H new ATOM 0 HG23 ILE A 7 3.318 -4.565 1.405 1.00 1.35 H new ATOM 0 HD11 ILE A 7 -1.098 -3.030 2.898 1.00 73.23 H new ATOM 0 HD12 ILE A 7 -0.492 -2.020 1.564 1.00 73.23 H new ATOM 0 HD13 ILE A 7 -1.324 -3.553 1.212 1.00 73.23 H new ATOM 133 N ASN A 8 4.256 -2.651 -0.776 1.00 55.42 N ATOM 134 CA ASN A 8 5.327 -2.999 -1.709 1.00 41.10 C ATOM 135 C ASN A 8 6.155 -4.098 -1.054 1.00 30.10 C ATOM 136 O ASN A 8 6.520 -3.980 0.118 1.00 41.44 O ATOM 137 CB ASN A 8 6.207 -1.771 -2.016 1.00 22.12 C ATOM 138 CG ASN A 8 7.267 -2.007 -3.100 1.00 75.43 C ATOM 139 OD1 ASN A 8 6.920 -2.760 -4.144 1.00 64.03 O flip ATOM 140 ND2 ASN A 8 8.374 -1.466 -3.027 1.00 53.33 N flip ATOM 0 H ASN A 8 4.598 -2.400 0.152 1.00 55.42 H new ATOM 0 HA ASN A 8 4.911 -3.341 -2.657 1.00 41.10 H new ATOM 0 HB2 ASN A 8 5.564 -0.947 -2.326 1.00 22.12 H new ATOM 0 HB3 ASN A 8 6.706 -1.458 -1.099 1.00 22.12 H new ATOM 0 HD21 ASN A 8 8.610 -0.896 -2.215 1.00 53.33 H new ATOM 0 HD22 ASN A 8 9.052 -1.589 -3.779 1.00 53.33 H new ATOM 147 N THR A 9 6.395 -5.187 -1.781 1.00 10.12 N ATOM 148 CA THR A 9 7.108 -6.353 -1.250 1.00 61.14 C ATOM 149 C THR A 9 7.943 -7.034 -2.344 1.00 32.32 C ATOM 150 O THR A 9 7.553 -7.053 -3.519 1.00 4.43 O ATOM 151 CB THR A 9 6.109 -7.351 -0.560 1.00 54.42 C ATOM 152 OG1 THR A 9 6.725 -8.630 -0.330 1.00 43.25 O ATOM 153 CG2 THR A 9 4.815 -7.525 -1.362 1.00 21.33 C ATOM 0 H THR A 9 6.103 -5.289 -2.753 1.00 10.12 H new ATOM 0 HA THR A 9 7.805 -6.012 -0.484 1.00 61.14 H new ATOM 0 HB THR A 9 5.846 -6.910 0.402 1.00 54.42 H new ATOM 0 HG1 THR A 9 7.559 -8.506 0.169 1.00 43.25 H new ATOM 0 HG21 THR A 9 4.157 -8.224 -0.845 1.00 21.33 H new ATOM 0 HG22 THR A 9 4.315 -6.561 -1.460 1.00 21.33 H new ATOM 0 HG23 THR A 9 5.050 -7.914 -2.353 1.00 21.33 H new ATOM 161 N ASN A 10 9.106 -7.560 -1.933 1.00 55.22 N ATOM 162 CA ASN A 10 10.025 -8.319 -2.801 1.00 44.21 C ATOM 163 C ASN A 10 9.576 -9.788 -2.922 1.00 70.43 C ATOM 164 O ASN A 10 9.837 -10.454 -3.928 1.00 64.05 O ATOM 165 CB ASN A 10 11.456 -8.246 -2.207 1.00 24.21 C ATOM 166 CG ASN A 10 12.542 -8.875 -3.092 1.00 45.32 C ATOM 167 OD1 ASN A 10 12.824 -10.069 -3.000 1.00 74.13 O ATOM 168 ND2 ASN A 10 13.173 -8.074 -3.937 1.00 54.35 N ATOM 0 H ASN A 10 9.442 -7.470 -0.974 1.00 55.22 H new ATOM 0 HA ASN A 10 10.016 -7.881 -3.799 1.00 44.21 H new ATOM 0 HB2 ASN A 10 11.710 -7.201 -2.029 1.00 24.21 H new ATOM 0 HB3 ASN A 10 11.460 -8.745 -1.238 1.00 24.21 H new ATOM 0 HD21 ASN A 10 13.914 -8.443 -4.533 1.00 54.35 H new ATOM 0 HD22 ASN A 10 12.918 -7.088 -3.992 1.00 54.35 H new ATOM 175 N ASN A 11 8.878 -10.269 -1.885 1.00 44.34 N ATOM 176 CA ASN A 11 8.535 -11.692 -1.722 1.00 61.33 C ATOM 177 C ASN A 11 7.075 -11.959 -2.139 1.00 24.35 C ATOM 178 O ASN A 11 6.139 -11.415 -1.540 1.00 1.23 O ATOM 179 CB ASN A 11 8.784 -12.105 -0.248 1.00 25.12 C ATOM 180 CG ASN A 11 8.510 -13.586 0.043 1.00 55.13 C ATOM 181 OD1 ASN A 11 8.647 -14.449 -0.819 1.00 22.35 O ATOM 182 ND2 ASN A 11 8.137 -13.890 1.271 1.00 23.33 N ATOM 0 H ASN A 11 8.532 -9.679 -1.129 1.00 44.34 H new ATOM 0 HA ASN A 11 9.168 -12.295 -2.373 1.00 61.33 H new ATOM 0 HB2 ASN A 11 9.819 -11.880 0.011 1.00 25.12 H new ATOM 0 HB3 ASN A 11 8.154 -11.496 0.400 1.00 25.12 H new ATOM 0 HD21 ASN A 11 7.955 -14.861 1.523 1.00 23.33 H new ATOM 0 HD22 ASN A 11 8.031 -13.154 1.969 1.00 23.33 H new ATOM 189 N ASP A 12 6.903 -12.824 -3.161 1.00 41.24 N ATOM 190 CA ASP A 12 5.579 -13.246 -3.672 1.00 43.15 C ATOM 191 C ASP A 12 4.837 -14.117 -2.654 1.00 53.13 C ATOM 192 O ASP A 12 3.605 -14.063 -2.561 1.00 50.14 O ATOM 193 CB ASP A 12 5.711 -14.009 -5.012 1.00 35.41 C ATOM 194 CG ASP A 12 6.203 -13.111 -6.157 1.00 53.14 C ATOM 195 OD1 ASP A 12 5.395 -12.312 -6.681 1.00 42.32 O ATOM 196 OD2 ASP A 12 7.384 -13.198 -6.541 1.00 10.31 O ATOM 0 H ASP A 12 7.683 -13.253 -3.659 1.00 41.24 H new ATOM 0 HA ASP A 12 5.000 -12.338 -3.840 1.00 43.15 H new ATOM 0 HB2 ASP A 12 6.403 -14.842 -4.885 1.00 35.41 H new ATOM 0 HB3 ASP A 12 4.744 -14.436 -5.280 1.00 35.41 H new ATOM 201 N GLU A 13 5.610 -14.916 -1.895 1.00 62.23 N ATOM 202 CA GLU A 13 5.087 -15.763 -0.810 1.00 32.21 C ATOM 203 C GLU A 13 4.477 -14.884 0.292 1.00 72.34 C ATOM 204 O GLU A 13 3.454 -15.241 0.883 1.00 44.11 O ATOM 205 CB GLU A 13 6.212 -16.650 -0.228 1.00 53.33 C ATOM 206 CG GLU A 13 6.937 -17.524 -1.271 1.00 3.24 C ATOM 207 CD GLU A 13 8.071 -18.344 -0.650 1.00 34.01 C ATOM 208 OE1 GLU A 13 9.127 -17.759 -0.333 1.00 53.41 O ATOM 209 OE2 GLU A 13 7.901 -19.565 -0.444 1.00 33.51 O ATOM 0 H GLU A 13 6.620 -14.992 -2.019 1.00 62.23 H new ATOM 0 HA GLU A 13 4.311 -16.413 -1.214 1.00 32.21 H new ATOM 0 HB2 GLU A 13 6.944 -16.010 0.265 1.00 53.33 H new ATOM 0 HB3 GLU A 13 5.787 -17.298 0.539 1.00 53.33 H new ATOM 0 HG2 GLU A 13 6.219 -18.197 -1.741 1.00 3.24 H new ATOM 0 HG3 GLU A 13 7.340 -16.888 -2.059 1.00 3.24 H new ATOM 216 N LEU A 14 5.108 -13.706 0.522 1.00 32.02 N ATOM 217 CA LEU A 14 4.627 -12.727 1.496 1.00 41.32 C ATOM 218 C LEU A 14 3.332 -12.073 0.996 1.00 14.04 C ATOM 219 O LEU A 14 2.419 -11.912 1.786 1.00 51.24 O ATOM 220 CB LEU A 14 5.687 -11.642 1.806 1.00 41.13 C ATOM 221 CG LEU A 14 5.288 -10.610 2.911 1.00 53.12 C ATOM 222 CD1 LEU A 14 4.967 -11.306 4.252 1.00 62.40 C ATOM 223 CD2 LEU A 14 6.361 -9.520 3.072 1.00 11.54 C ATOM 0 H LEU A 14 5.958 -13.421 0.035 1.00 32.02 H new ATOM 0 HA LEU A 14 4.428 -13.263 2.424 1.00 41.32 H new ATOM 0 HB2 LEU A 14 6.610 -12.136 2.111 1.00 41.13 H new ATOM 0 HB3 LEU A 14 5.905 -11.098 0.887 1.00 41.13 H new ATOM 0 HG LEU A 14 4.373 -10.116 2.584 1.00 53.12 H new ATOM 0 HD11 LEU A 14 4.694 -10.556 4.995 1.00 62.40 H new ATOM 0 HD12 LEU A 14 4.137 -11.998 4.113 1.00 62.40 H new ATOM 0 HD13 LEU A 14 5.843 -11.855 4.596 1.00 62.40 H new ATOM 0 HD21 LEU A 14 6.054 -8.818 3.848 1.00 11.54 H new ATOM 0 HD22 LEU A 14 7.308 -9.980 3.354 1.00 11.54 H new ATOM 0 HD23 LEU A 14 6.483 -8.987 2.129 1.00 11.54 H new ATOM 235 N ILE A 15 3.265 -11.740 -0.328 1.00 32.43 N ATOM 236 CA ILE A 15 2.049 -11.141 -0.959 1.00 14.13 C ATOM 237 C ILE A 15 0.801 -11.977 -0.621 1.00 61.42 C ATOM 238 O ILE A 15 -0.225 -11.433 -0.218 1.00 4.50 O ATOM 239 CB ILE A 15 2.169 -11.026 -2.533 1.00 75.21 C ATOM 240 CG1 ILE A 15 3.443 -10.234 -2.937 1.00 60.05 C ATOM 241 CG2 ILE A 15 0.902 -10.370 -3.147 1.00 32.20 C ATOM 242 CD1 ILE A 15 3.718 -10.126 -4.430 1.00 52.12 C ATOM 0 H ILE A 15 4.039 -11.877 -0.978 1.00 32.43 H new ATOM 0 HA ILE A 15 1.958 -10.134 -0.551 1.00 14.13 H new ATOM 0 HB ILE A 15 2.253 -12.037 -2.932 1.00 75.21 H new ATOM 0 HG12 ILE A 15 3.365 -9.226 -2.529 1.00 60.05 H new ATOM 0 HG13 ILE A 15 4.304 -10.704 -2.462 1.00 60.05 H new ATOM 0 HG21 ILE A 15 1.014 -10.305 -4.229 1.00 32.20 H new ATOM 0 HG22 ILE A 15 0.027 -10.975 -2.909 1.00 32.20 H new ATOM 0 HG23 ILE A 15 0.774 -9.369 -2.734 1.00 32.20 H new ATOM 0 HD11 ILE A 15 4.631 -9.553 -4.591 1.00 52.12 H new ATOM 0 HD12 ILE A 15 3.837 -11.124 -4.851 1.00 52.12 H new ATOM 0 HD13 ILE A 15 2.883 -9.624 -4.918 1.00 52.12 H new ATOM 254 N LYS A 16 0.956 -13.312 -0.740 1.00 2.22 N ATOM 255 CA LYS A 16 -0.106 -14.296 -0.438 1.00 21.12 C ATOM 256 C LYS A 16 -0.538 -14.202 1.044 1.00 23.31 C ATOM 257 O LYS A 16 -1.730 -14.122 1.346 1.00 32.50 O ATOM 258 CB LYS A 16 0.383 -15.738 -0.753 1.00 23.43 C ATOM 259 CG LYS A 16 0.972 -15.936 -2.166 1.00 75.23 C ATOM 260 CD LYS A 16 -0.019 -15.586 -3.303 1.00 31.52 C ATOM 261 CE LYS A 16 0.612 -15.733 -4.700 1.00 41.24 C ATOM 262 NZ LYS A 16 1.116 -17.110 -4.949 1.00 22.21 N ATOM 0 H LYS A 16 1.828 -13.741 -1.051 1.00 2.22 H new ATOM 0 HA LYS A 16 -0.966 -14.066 -1.067 1.00 21.12 H new ATOM 0 HB2 LYS A 16 1.139 -16.017 -0.019 1.00 23.43 H new ATOM 0 HB3 LYS A 16 -0.454 -16.425 -0.626 1.00 23.43 H new ATOM 0 HG2 LYS A 16 1.864 -15.318 -2.269 1.00 75.23 H new ATOM 0 HG3 LYS A 16 1.288 -16.973 -2.277 1.00 75.23 H new ATOM 0 HD2 LYS A 16 -0.892 -16.234 -3.232 1.00 31.52 H new ATOM 0 HD3 LYS A 16 -0.370 -14.563 -3.172 1.00 31.52 H new ATOM 0 HE2 LYS A 16 -0.127 -15.476 -5.459 1.00 41.24 H new ATOM 0 HE3 LYS A 16 1.433 -15.024 -4.802 1.00 41.24 H new ATOM 0 HZ1 LYS A 16 1.439 -17.189 -5.935 1.00 22.21 H new ATOM 0 HZ2 LYS A 16 1.910 -17.310 -4.308 1.00 22.21 H new ATOM 0 HZ3 LYS A 16 0.352 -17.795 -4.779 1.00 22.21 H new ATOM 276 N LYS A 17 0.468 -14.179 1.945 1.00 12.42 N ATOM 277 CA LYS A 17 0.268 -14.084 3.409 1.00 4.51 C ATOM 278 C LYS A 17 -0.424 -12.764 3.806 1.00 13.24 C ATOM 279 O LYS A 17 -1.275 -12.756 4.702 1.00 52.05 O ATOM 280 CB LYS A 17 1.632 -14.203 4.134 1.00 52.23 C ATOM 281 CG LYS A 17 2.334 -15.573 3.964 1.00 33.42 C ATOM 282 CD LYS A 17 3.813 -15.535 4.423 1.00 54.13 C ATOM 283 CE LYS A 17 3.979 -15.170 5.908 1.00 1.04 C ATOM 284 NZ LYS A 17 5.400 -14.915 6.276 1.00 25.55 N ATOM 0 H LYS A 17 1.451 -14.226 1.675 1.00 12.42 H new ATOM 0 HA LYS A 17 -0.383 -14.905 3.711 1.00 4.51 H new ATOM 0 HB2 LYS A 17 2.295 -13.421 3.764 1.00 52.23 H new ATOM 0 HB3 LYS A 17 1.481 -14.016 5.197 1.00 52.23 H new ATOM 0 HG2 LYS A 17 1.797 -16.328 4.538 1.00 33.42 H new ATOM 0 HG3 LYS A 17 2.288 -15.875 2.918 1.00 33.42 H new ATOM 0 HD2 LYS A 17 4.268 -16.509 4.242 1.00 54.13 H new ATOM 0 HD3 LYS A 17 4.357 -14.812 3.815 1.00 54.13 H new ATOM 0 HE2 LYS A 17 3.385 -14.284 6.130 1.00 1.04 H new ATOM 0 HE3 LYS A 17 3.587 -15.979 6.524 1.00 1.04 H new ATOM 0 HZ1 LYS A 17 5.459 -14.673 7.286 1.00 25.55 H new ATOM 0 HZ2 LYS A 17 5.965 -15.768 6.091 1.00 25.55 H new ATOM 0 HZ3 LYS A 17 5.769 -14.125 5.709 1.00 25.55 H new ATOM 298 N ILE A 18 -0.066 -11.667 3.095 1.00 73.50 N ATOM 299 CA ILE A 18 -0.622 -10.324 3.326 1.00 62.34 C ATOM 300 C ILE A 18 -2.119 -10.349 3.039 1.00 63.41 C ATOM 301 O ILE A 18 -2.900 -9.942 3.888 1.00 62.21 O ATOM 302 CB ILE A 18 0.094 -9.221 2.445 1.00 12.15 C ATOM 303 CG1 ILE A 18 1.604 -9.122 2.822 1.00 71.04 C ATOM 304 CG2 ILE A 18 -0.596 -7.833 2.576 1.00 43.44 C ATOM 305 CD1 ILE A 18 2.452 -8.304 1.871 1.00 65.50 C ATOM 0 H ILE A 18 0.621 -11.696 2.342 1.00 73.50 H new ATOM 0 HA ILE A 18 -0.447 -10.056 4.368 1.00 62.34 H new ATOM 0 HB ILE A 18 0.009 -9.527 1.402 1.00 12.15 H new ATOM 0 HG12 ILE A 18 1.686 -8.690 3.820 1.00 71.04 H new ATOM 0 HG13 ILE A 18 2.016 -10.130 2.876 1.00 71.04 H new ATOM 0 HG21 ILE A 18 -0.072 -7.106 1.955 1.00 43.44 H new ATOM 0 HG22 ILE A 18 -1.633 -7.910 2.249 1.00 43.44 H new ATOM 0 HG23 ILE A 18 -0.567 -7.509 3.616 1.00 43.44 H new ATOM 0 HD11 ILE A 18 3.485 -8.296 2.220 1.00 65.50 H new ATOM 0 HD12 ILE A 18 2.409 -8.744 0.875 1.00 65.50 H new ATOM 0 HD13 ILE A 18 2.074 -7.282 1.833 1.00 65.50 H new ATOM 317 N LYS A 19 -2.490 -10.928 1.864 1.00 32.35 N ATOM 318 CA LYS A 19 -3.898 -11.082 1.431 1.00 14.30 C ATOM 319 C LYS A 19 -4.741 -11.731 2.541 1.00 61.03 C ATOM 320 O LYS A 19 -5.832 -11.263 2.858 1.00 24.40 O ATOM 321 CB LYS A 19 -4.002 -11.949 0.141 1.00 60.22 C ATOM 322 CG LYS A 19 -3.219 -11.406 -1.068 1.00 41.30 C ATOM 323 CD LYS A 19 -3.433 -12.246 -2.346 1.00 45.51 C ATOM 324 CE LYS A 19 -2.680 -11.672 -3.554 1.00 42.33 C ATOM 325 NZ LYS A 19 -2.994 -12.399 -4.814 1.00 40.22 N ATOM 0 H LYS A 19 -1.817 -11.300 1.194 1.00 32.35 H new ATOM 0 HA LYS A 19 -4.281 -10.084 1.219 1.00 14.30 H new ATOM 0 HB2 LYS A 19 -3.644 -12.954 0.366 1.00 60.22 H new ATOM 0 HB3 LYS A 19 -5.053 -12.039 -0.135 1.00 60.22 H new ATOM 0 HG2 LYS A 19 -3.523 -10.377 -1.260 1.00 41.30 H new ATOM 0 HG3 LYS A 19 -2.156 -11.384 -0.827 1.00 41.30 H new ATOM 0 HD2 LYS A 19 -3.101 -13.268 -2.166 1.00 45.51 H new ATOM 0 HD3 LYS A 19 -4.498 -12.293 -2.573 1.00 45.51 H new ATOM 0 HE2 LYS A 19 -2.936 -10.619 -3.672 1.00 42.33 H new ATOM 0 HE3 LYS A 19 -1.607 -11.721 -3.367 1.00 42.33 H new ATOM 0 HZ1 LYS A 19 -2.462 -11.975 -5.601 1.00 40.22 H new ATOM 0 HZ2 LYS A 19 -2.726 -13.399 -4.714 1.00 40.22 H new ATOM 0 HZ3 LYS A 19 -4.013 -12.331 -5.009 1.00 40.22 H new ATOM 339 N LYS A 20 -4.159 -12.770 3.164 1.00 54.04 N ATOM 340 CA LYS A 20 -4.812 -13.563 4.214 1.00 53.23 C ATOM 341 C LYS A 20 -4.939 -12.772 5.536 1.00 31.12 C ATOM 342 O LYS A 20 -5.905 -12.970 6.278 1.00 13.11 O ATOM 343 CB LYS A 20 -4.037 -14.885 4.423 1.00 14.34 C ATOM 344 CG LYS A 20 -3.876 -15.748 3.147 1.00 53.22 C ATOM 345 CD LYS A 20 -5.216 -16.191 2.509 1.00 51.22 C ATOM 346 CE LYS A 20 -6.050 -17.106 3.423 1.00 2.25 C ATOM 347 NZ LYS A 20 -7.317 -17.542 2.771 1.00 0.03 N ATOM 0 H LYS A 20 -3.213 -13.084 2.949 1.00 54.04 H new ATOM 0 HA LYS A 20 -5.827 -13.794 3.890 1.00 53.23 H new ATOM 0 HB2 LYS A 20 -3.047 -14.652 4.815 1.00 14.34 H new ATOM 0 HB3 LYS A 20 -4.550 -15.475 5.182 1.00 14.34 H new ATOM 0 HG2 LYS A 20 -3.304 -15.184 2.410 1.00 53.22 H new ATOM 0 HG3 LYS A 20 -3.292 -16.635 3.393 1.00 53.22 H new ATOM 0 HD2 LYS A 20 -5.802 -15.306 2.259 1.00 51.22 H new ATOM 0 HD3 LYS A 20 -5.011 -16.712 1.574 1.00 51.22 H new ATOM 0 HE2 LYS A 20 -5.461 -17.983 3.693 1.00 2.25 H new ATOM 0 HE3 LYS A 20 -6.281 -16.580 4.349 1.00 2.25 H new ATOM 0 HZ1 LYS A 20 -7.848 -18.156 3.421 1.00 0.03 H new ATOM 0 HZ2 LYS A 20 -7.892 -16.708 2.536 1.00 0.03 H new ATOM 0 HZ3 LYS A 20 -7.097 -18.067 1.901 1.00 0.03 H new ATOM 361 N GLU A 21 -3.974 -11.870 5.816 1.00 63.21 N ATOM 362 CA GLU A 21 -4.061 -10.935 6.966 1.00 60.15 C ATOM 363 C GLU A 21 -5.216 -9.942 6.758 1.00 70.14 C ATOM 364 O GLU A 21 -5.923 -9.604 7.700 1.00 63.35 O ATOM 365 CB GLU A 21 -2.733 -10.155 7.183 1.00 51.22 C ATOM 366 CG GLU A 21 -1.503 -11.035 7.462 1.00 41.01 C ATOM 367 CD GLU A 21 -1.682 -11.992 8.650 1.00 34.54 C ATOM 368 OE1 GLU A 21 -1.559 -11.550 9.804 1.00 32.33 O ATOM 369 OE2 GLU A 21 -1.951 -13.184 8.438 1.00 45.50 O ATOM 0 H GLU A 21 -3.123 -11.767 5.263 1.00 63.21 H new ATOM 0 HA GLU A 21 -4.247 -11.534 7.857 1.00 60.15 H new ATOM 0 HB2 GLU A 21 -2.535 -9.550 6.298 1.00 51.22 H new ATOM 0 HB3 GLU A 21 -2.865 -9.466 8.017 1.00 51.22 H new ATOM 0 HG2 GLU A 21 -1.275 -11.618 6.569 1.00 41.01 H new ATOM 0 HG3 GLU A 21 -0.643 -10.392 7.652 1.00 41.01 H new ATOM 376 N VAL A 22 -5.405 -9.514 5.499 1.00 41.34 N ATOM 377 CA VAL A 22 -6.477 -8.578 5.105 1.00 61.11 C ATOM 378 C VAL A 22 -7.850 -9.279 5.178 1.00 52.44 C ATOM 379 O VAL A 22 -8.869 -8.635 5.453 1.00 12.11 O ATOM 380 CB VAL A 22 -6.229 -8.025 3.658 1.00 53.03 C ATOM 381 CG1 VAL A 22 -7.202 -6.888 3.283 1.00 64.02 C ATOM 382 CG2 VAL A 22 -4.773 -7.573 3.482 1.00 72.41 C ATOM 0 H VAL A 22 -4.816 -9.808 4.720 1.00 41.34 H new ATOM 0 HA VAL A 22 -6.471 -7.738 5.800 1.00 61.11 H new ATOM 0 HB VAL A 22 -6.423 -8.850 2.972 1.00 53.03 H new ATOM 0 HG11 VAL A 22 -6.986 -6.543 2.272 1.00 64.02 H new ATOM 0 HG12 VAL A 22 -8.227 -7.256 3.329 1.00 64.02 H new ATOM 0 HG13 VAL A 22 -7.082 -6.061 3.982 1.00 64.02 H new ATOM 0 HG21 VAL A 22 -4.629 -7.194 2.470 1.00 72.41 H new ATOM 0 HG22 VAL A 22 -4.548 -6.784 4.200 1.00 72.41 H new ATOM 0 HG23 VAL A 22 -4.107 -8.419 3.651 1.00 72.41 H new ATOM 392 N GLU A 23 -7.844 -10.613 4.957 1.00 12.43 N ATOM 393 CA GLU A 23 -9.035 -11.468 5.129 1.00 3.22 C ATOM 394 C GLU A 23 -9.427 -11.531 6.615 1.00 74.32 C ATOM 395 O GLU A 23 -10.614 -11.547 6.950 1.00 72.32 O ATOM 396 CB GLU A 23 -8.784 -12.907 4.591 1.00 4.21 C ATOM 397 CG GLU A 23 -8.508 -13.007 3.078 1.00 11.33 C ATOM 398 CD GLU A 23 -9.690 -12.551 2.215 1.00 75.24 C ATOM 399 OE1 GLU A 23 -10.584 -13.377 1.935 1.00 4.01 O ATOM 400 OE2 GLU A 23 -9.733 -11.372 1.812 1.00 15.03 O ATOM 0 H GLU A 23 -7.014 -11.124 4.655 1.00 12.43 H new ATOM 0 HA GLU A 23 -9.849 -11.027 4.554 1.00 3.22 H new ATOM 0 HB2 GLU A 23 -7.937 -13.335 5.127 1.00 4.21 H new ATOM 0 HB3 GLU A 23 -9.653 -13.522 4.826 1.00 4.21 H new ATOM 0 HG2 GLU A 23 -7.634 -12.402 2.834 1.00 11.33 H new ATOM 0 HG3 GLU A 23 -8.261 -14.039 2.828 1.00 11.33 H new ATOM 407 N ASN A 24 -8.403 -11.543 7.496 1.00 10.35 N ATOM 408 CA ASN A 24 -8.596 -11.534 8.961 1.00 50.44 C ATOM 409 C ASN A 24 -9.239 -10.205 9.411 1.00 33.55 C ATOM 410 O ASN A 24 -9.948 -10.161 10.418 1.00 72.13 O ATOM 411 CB ASN A 24 -7.243 -11.738 9.714 1.00 51.23 C ATOM 412 CG ASN A 24 -6.547 -13.070 9.420 1.00 45.14 C ATOM 413 OD1 ASN A 24 -7.193 -14.081 9.129 1.00 64.43 O ATOM 414 ND2 ASN A 24 -5.221 -13.087 9.506 1.00 74.20 N ATOM 0 H ASN A 24 -7.423 -11.559 7.212 1.00 10.35 H new ATOM 0 HA ASN A 24 -9.259 -12.362 9.210 1.00 50.44 H new ATOM 0 HB2 ASN A 24 -6.568 -10.924 9.449 1.00 51.23 H new ATOM 0 HB3 ASN A 24 -7.424 -11.666 10.786 1.00 51.23 H new ATOM 0 HD21 ASN A 24 -4.710 -13.952 9.329 1.00 74.20 H new ATOM 0 HD22 ASN A 24 -4.715 -12.235 9.749 1.00 74.20 H new ATOM 421 N GLN A 25 -8.973 -9.119 8.651 1.00 12.51 N ATOM 422 CA GLN A 25 -9.471 -7.760 8.970 1.00 43.42 C ATOM 423 C GLN A 25 -10.797 -7.460 8.233 1.00 75.52 C ATOM 424 O GLN A 25 -11.535 -6.552 8.626 1.00 42.31 O ATOM 425 CB GLN A 25 -8.398 -6.687 8.620 1.00 71.43 C ATOM 426 CG GLN A 25 -6.968 -7.021 9.103 1.00 54.40 C ATOM 427 CD GLN A 25 -6.831 -7.331 10.603 1.00 24.14 C ATOM 428 OE1 GLN A 25 -7.558 -6.806 11.444 1.00 23.02 O ATOM 429 NE2 GLN A 25 -5.908 -8.213 10.947 1.00 44.21 N ATOM 0 H GLN A 25 -8.409 -9.158 7.802 1.00 12.51 H new ATOM 0 HA GLN A 25 -9.667 -7.720 10.042 1.00 43.42 H new ATOM 0 HB2 GLN A 25 -8.379 -6.551 7.539 1.00 71.43 H new ATOM 0 HB3 GLN A 25 -8.701 -5.735 9.056 1.00 71.43 H new ATOM 0 HG2 GLN A 25 -6.604 -7.879 8.538 1.00 54.40 H new ATOM 0 HG3 GLN A 25 -6.317 -6.181 8.863 1.00 54.40 H new ATOM 0 HE21 GLN A 25 -5.316 -8.636 10.233 1.00 44.21 H new ATOM 0 HE22 GLN A 25 -5.788 -8.470 11.927 1.00 44.21 H new ATOM 438 N GLY A 26 -11.075 -8.219 7.156 1.00 62.32 N ATOM 439 CA GLY A 26 -12.313 -8.079 6.375 1.00 62.51 C ATOM 440 C GLY A 26 -12.309 -6.892 5.406 1.00 64.05 C ATOM 441 O GLY A 26 -13.367 -6.317 5.124 1.00 0.41 O ATOM 0 H GLY A 26 -10.448 -8.944 6.806 1.00 62.32 H new ATOM 0 HA2 GLY A 26 -12.479 -8.996 5.809 1.00 62.51 H new ATOM 0 HA3 GLY A 26 -13.153 -7.971 7.061 1.00 62.51 H new ATOM 445 N TYR A 27 -11.115 -6.523 4.903 1.00 63.40 N ATOM 446 CA TYR A 27 -10.948 -5.420 3.919 1.00 24.43 C ATOM 447 C TYR A 27 -10.814 -6.003 2.493 1.00 65.35 C ATOM 448 O TYR A 27 -10.613 -7.210 2.325 1.00 3.25 O ATOM 449 CB TYR A 27 -9.690 -4.561 4.261 1.00 12.02 C ATOM 450 CG TYR A 27 -9.753 -3.682 5.530 1.00 24.41 C ATOM 451 CD1 TYR A 27 -10.501 -4.045 6.657 1.00 44.12 C ATOM 452 CD2 TYR A 27 -9.027 -2.489 5.604 1.00 44.42 C ATOM 453 CE1 TYR A 27 -10.529 -3.252 7.792 1.00 11.30 C ATOM 454 CE2 TYR A 27 -9.050 -1.702 6.735 1.00 23.43 C ATOM 455 CZ TYR A 27 -9.801 -2.084 7.828 1.00 30.13 C ATOM 456 OH TYR A 27 -9.818 -1.295 8.961 1.00 45.43 O ATOM 0 H TYR A 27 -10.238 -6.975 5.162 1.00 63.40 H new ATOM 0 HA TYR A 27 -11.828 -4.779 3.966 1.00 24.43 H new ATOM 0 HB2 TYR A 27 -8.839 -5.235 4.360 1.00 12.02 H new ATOM 0 HB3 TYR A 27 -9.485 -3.911 3.411 1.00 12.02 H new ATOM 0 HD1 TYR A 27 -11.069 -4.964 6.641 1.00 44.12 H new ATOM 0 HD2 TYR A 27 -8.435 -2.178 4.756 1.00 44.42 H new ATOM 0 HE1 TYR A 27 -11.120 -3.549 8.646 1.00 11.30 H new ATOM 0 HE2 TYR A 27 -8.480 -0.785 6.766 1.00 23.43 H new ATOM 0 HH TYR A 27 -8.964 -0.821 9.042 1.00 45.43 H new ATOM 466 N GLN A 28 -10.898 -5.128 1.477 1.00 45.21 N ATOM 467 CA GLN A 28 -10.806 -5.524 0.058 1.00 4.42 C ATOM 468 C GLN A 28 -9.328 -5.637 -0.361 1.00 51.11 C ATOM 469 O GLN A 28 -8.606 -4.632 -0.345 1.00 70.01 O ATOM 470 CB GLN A 28 -11.534 -4.490 -0.857 1.00 44.20 C ATOM 471 CG GLN A 28 -13.063 -4.363 -0.647 1.00 34.41 C ATOM 472 CD GLN A 28 -13.479 -3.732 0.687 1.00 51.33 C ATOM 473 OE1 GLN A 28 -12.768 -2.908 1.265 1.00 73.01 O ATOM 474 NE2 GLN A 28 -14.649 -4.091 1.172 1.00 42.21 N ATOM 0 H GLN A 28 -11.032 -4.126 1.614 1.00 45.21 H new ATOM 0 HA GLN A 28 -11.293 -6.492 -0.058 1.00 4.42 H new ATOM 0 HB2 GLN A 28 -11.082 -3.511 -0.698 1.00 44.20 H new ATOM 0 HB3 GLN A 28 -11.350 -4.761 -1.897 1.00 44.20 H new ATOM 0 HG2 GLN A 28 -13.479 -3.768 -1.460 1.00 34.41 H new ATOM 0 HG3 GLN A 28 -13.509 -5.355 -0.718 1.00 34.41 H new ATOM 0 HE21 GLN A 28 -15.219 -4.775 0.675 1.00 42.21 H new ATOM 0 HE22 GLN A 28 -14.985 -3.685 2.045 1.00 42.21 H new ATOM 483 N VAL A 29 -8.883 -6.863 -0.696 1.00 5.15 N ATOM 484 CA VAL A 29 -7.548 -7.103 -1.272 1.00 2.31 C ATOM 485 C VAL A 29 -7.564 -6.758 -2.770 1.00 74.43 C ATOM 486 O VAL A 29 -8.211 -7.455 -3.565 1.00 54.14 O ATOM 487 CB VAL A 29 -7.075 -8.601 -1.125 1.00 35.13 C ATOM 488 CG1 VAL A 29 -5.629 -8.780 -1.663 1.00 30.30 C ATOM 489 CG2 VAL A 29 -7.205 -9.094 0.328 1.00 34.02 C ATOM 0 H VAL A 29 -9.437 -7.711 -0.575 1.00 5.15 H new ATOM 0 HA VAL A 29 -6.854 -6.470 -0.720 1.00 2.31 H new ATOM 0 HB VAL A 29 -7.734 -9.221 -1.733 1.00 35.13 H new ATOM 0 HG11 VAL A 29 -5.325 -9.821 -1.551 1.00 30.30 H new ATOM 0 HG12 VAL A 29 -5.596 -8.504 -2.717 1.00 30.30 H new ATOM 0 HG13 VAL A 29 -4.949 -8.141 -1.099 1.00 30.30 H new ATOM 0 HG21 VAL A 29 -6.870 -10.129 0.392 1.00 34.02 H new ATOM 0 HG22 VAL A 29 -6.590 -8.473 0.979 1.00 34.02 H new ATOM 0 HG23 VAL A 29 -8.247 -9.029 0.642 1.00 34.02 H new ATOM 499 N ARG A 30 -6.885 -5.672 -3.148 1.00 61.35 N ATOM 500 CA ARG A 30 -6.683 -5.302 -4.556 1.00 74.25 C ATOM 501 C ARG A 30 -5.179 -5.257 -4.841 1.00 3.43 C ATOM 502 O ARG A 30 -4.495 -4.345 -4.393 1.00 3.42 O ATOM 503 CB ARG A 30 -7.343 -3.927 -4.854 1.00 61.53 C ATOM 504 CG ARG A 30 -8.881 -3.894 -4.704 1.00 71.33 C ATOM 505 CD ARG A 30 -9.585 -4.963 -5.560 1.00 32.35 C ATOM 506 NE ARG A 30 -11.039 -4.757 -5.622 1.00 55.54 N ATOM 507 CZ ARG A 30 -11.712 -4.317 -6.698 1.00 10.21 C ATOM 508 NH1 ARG A 30 -11.079 -4.015 -7.835 1.00 74.10 N ATOM 509 NH2 ARG A 30 -13.028 -4.185 -6.631 1.00 52.33 N ATOM 0 H ARG A 30 -6.458 -5.022 -2.488 1.00 61.35 H new ATOM 0 HA ARG A 30 -7.152 -6.042 -5.204 1.00 74.25 H new ATOM 0 HB2 ARG A 30 -6.912 -3.182 -4.186 1.00 61.53 H new ATOM 0 HB3 ARG A 30 -7.086 -3.630 -5.871 1.00 61.53 H new ATOM 0 HG2 ARG A 30 -9.143 -4.043 -3.656 1.00 71.33 H new ATOM 0 HG3 ARG A 30 -9.248 -2.908 -4.987 1.00 71.33 H new ATOM 0 HD2 ARG A 30 -9.174 -4.946 -6.569 1.00 32.35 H new ATOM 0 HD3 ARG A 30 -9.377 -5.950 -5.148 1.00 32.35 H new ATOM 0 HE ARG A 30 -11.579 -4.964 -4.782 1.00 55.54 H new ATOM 0 HH11 ARG A 30 -10.066 -4.117 -7.897 1.00 74.10 H new ATOM 0 HH12 ARG A 30 -11.609 -3.682 -8.641 1.00 74.10 H new ATOM 0 HH21 ARG A 30 -13.521 -4.417 -5.768 1.00 52.33 H new ATOM 0 HH22 ARG A 30 -13.549 -3.852 -7.442 1.00 52.33 H new ATOM 523 N ASP A 31 -4.672 -6.260 -5.575 1.00 10.43 N ATOM 524 CA ASP A 31 -3.243 -6.359 -5.942 1.00 42.20 C ATOM 525 C ASP A 31 -3.061 -5.931 -7.410 1.00 41.40 C ATOM 526 O ASP A 31 -3.895 -6.248 -8.271 1.00 21.25 O ATOM 527 CB ASP A 31 -2.711 -7.801 -5.703 1.00 50.43 C ATOM 528 CG ASP A 31 -3.379 -8.860 -6.593 1.00 44.21 C ATOM 529 OD1 ASP A 31 -4.576 -9.153 -6.390 1.00 45.25 O ATOM 530 OD2 ASP A 31 -2.726 -9.389 -7.516 1.00 54.21 O ATOM 0 H ASP A 31 -5.239 -7.028 -5.933 1.00 10.43 H new ATOM 0 HA ASP A 31 -2.661 -5.690 -5.308 1.00 42.20 H new ATOM 0 HB2 ASP A 31 -1.636 -7.816 -5.880 1.00 50.43 H new ATOM 0 HB3 ASP A 31 -2.866 -8.067 -4.657 1.00 50.43 H new ATOM 535 N VAL A 32 -1.972 -5.197 -7.677 1.00 55.45 N ATOM 536 CA VAL A 32 -1.689 -4.576 -8.979 1.00 32.23 C ATOM 537 C VAL A 32 -0.220 -4.835 -9.351 1.00 41.43 C ATOM 538 O VAL A 32 0.694 -4.467 -8.612 1.00 20.53 O ATOM 539 CB VAL A 32 -1.973 -3.021 -8.945 1.00 64.14 C ATOM 540 CG1 VAL A 32 -1.514 -2.330 -10.246 1.00 61.10 C ATOM 541 CG2 VAL A 32 -3.471 -2.724 -8.663 1.00 30.10 C ATOM 0 H VAL A 32 -1.249 -5.015 -6.981 1.00 55.45 H new ATOM 0 HA VAL A 32 -2.346 -5.018 -9.728 1.00 32.23 H new ATOM 0 HB VAL A 32 -1.387 -2.607 -8.124 1.00 64.14 H new ATOM 0 HG11 VAL A 32 -1.726 -1.262 -10.185 1.00 61.10 H new ATOM 0 HG12 VAL A 32 -0.443 -2.481 -10.380 1.00 61.10 H new ATOM 0 HG13 VAL A 32 -2.049 -2.758 -11.094 1.00 61.10 H new ATOM 0 HG21 VAL A 32 -3.631 -1.646 -8.646 1.00 30.10 H new ATOM 0 HG22 VAL A 32 -4.084 -3.170 -9.446 1.00 30.10 H new ATOM 0 HG23 VAL A 32 -3.750 -3.147 -7.698 1.00 30.10 H new ATOM 551 N ASN A 33 -0.008 -5.466 -10.508 1.00 44.44 N ATOM 552 CA ASN A 33 1.331 -5.771 -11.051 1.00 35.43 C ATOM 553 C ASN A 33 1.493 -5.127 -12.440 1.00 60.02 C ATOM 554 O ASN A 33 2.483 -5.373 -13.138 1.00 72.02 O ATOM 555 CB ASN A 33 1.530 -7.311 -11.139 1.00 1.21 C ATOM 556 CG ASN A 33 1.505 -7.997 -9.770 1.00 74.24 C ATOM 557 OD1 ASN A 33 1.933 -7.424 -8.767 1.00 32.23 O ATOM 558 ND2 ASN A 33 1.005 -9.224 -9.719 1.00 53.01 N ATOM 0 H ASN A 33 -0.768 -5.787 -11.108 1.00 44.44 H new ATOM 0 HA ASN A 33 2.090 -5.360 -10.385 1.00 35.43 H new ATOM 0 HB2 ASN A 33 0.748 -7.737 -11.767 1.00 1.21 H new ATOM 0 HB3 ASN A 33 2.481 -7.522 -11.627 1.00 1.21 H new ATOM 0 HD21 ASN A 33 0.966 -9.722 -8.830 1.00 53.01 H new ATOM 0 HD22 ASN A 33 0.659 -9.669 -10.569 1.00 53.01 H new ATOM 565 N ASP A 34 0.528 -4.267 -12.816 1.00 34.42 N ATOM 566 CA ASP A 34 0.410 -3.725 -14.182 1.00 44.25 C ATOM 567 C ASP A 34 -0.110 -2.272 -14.141 1.00 22.30 C ATOM 568 O ASP A 34 -0.965 -1.937 -13.315 1.00 20.12 O ATOM 569 CB ASP A 34 -0.543 -4.637 -14.998 1.00 65.13 C ATOM 570 CG ASP A 34 -0.697 -4.220 -16.467 1.00 1.22 C ATOM 571 OD1 ASP A 34 0.151 -4.604 -17.300 1.00 33.43 O ATOM 572 OD2 ASP A 34 -1.652 -3.499 -16.793 1.00 73.14 O ATOM 0 H ASP A 34 -0.193 -3.928 -12.179 1.00 34.42 H new ATOM 0 HA ASP A 34 1.389 -3.709 -14.662 1.00 44.25 H new ATOM 0 HB2 ASP A 34 -0.172 -5.661 -14.958 1.00 65.13 H new ATOM 0 HB3 ASP A 34 -1.525 -4.635 -14.525 1.00 65.13 H new ATOM 577 N SER A 35 0.390 -1.436 -15.067 1.00 51.11 N ATOM 578 CA SER A 35 0.113 0.014 -15.109 1.00 30.41 C ATOM 579 C SER A 35 -1.361 0.334 -15.448 1.00 1.42 C ATOM 580 O SER A 35 -1.904 1.353 -15.005 1.00 43.40 O ATOM 581 CB SER A 35 1.055 0.680 -16.139 1.00 43.44 C ATOM 582 OG SER A 35 2.421 0.383 -15.862 1.00 33.44 O ATOM 0 H SER A 35 1.006 -1.750 -15.817 1.00 51.11 H new ATOM 0 HA SER A 35 0.295 0.415 -14.112 1.00 30.41 H new ATOM 0 HB2 SER A 35 0.802 0.335 -17.142 1.00 43.44 H new ATOM 0 HB3 SER A 35 0.906 1.760 -16.126 1.00 43.44 H new ATOM 0 HG SER A 35 2.992 0.816 -16.530 1.00 33.44 H new ATOM 588 N ASP A 36 -2.004 -0.546 -16.231 1.00 70.52 N ATOM 589 CA ASP A 36 -3.401 -0.364 -16.670 1.00 24.40 C ATOM 590 C ASP A 36 -4.370 -0.734 -15.541 1.00 22.22 C ATOM 591 O ASP A 36 -5.437 -0.136 -15.414 1.00 33.03 O ATOM 592 CB ASP A 36 -3.680 -1.210 -17.939 1.00 12.32 C ATOM 593 CG ASP A 36 -5.084 -0.995 -18.521 1.00 53.21 C ATOM 594 OD1 ASP A 36 -5.305 0.035 -19.192 1.00 23.30 O ATOM 595 OD2 ASP A 36 -5.971 -1.852 -18.322 1.00 73.23 O ATOM 0 H ASP A 36 -1.573 -1.403 -16.578 1.00 70.52 H new ATOM 0 HA ASP A 36 -3.556 0.686 -16.918 1.00 24.40 H new ATOM 0 HB2 ASP A 36 -2.939 -0.965 -18.700 1.00 12.32 H new ATOM 0 HB3 ASP A 36 -3.553 -2.265 -17.698 1.00 12.32 H new ATOM 600 N GLU A 37 -3.976 -1.710 -14.709 1.00 40.53 N ATOM 601 CA GLU A 37 -4.822 -2.194 -13.606 1.00 4.23 C ATOM 602 C GLU A 37 -5.028 -1.122 -12.514 1.00 13.11 C ATOM 603 O GLU A 37 -6.135 -0.995 -11.995 1.00 74.41 O ATOM 604 CB GLU A 37 -4.250 -3.500 -13.000 1.00 35.04 C ATOM 605 CG GLU A 37 -4.190 -4.687 -13.990 1.00 32.32 C ATOM 606 CD GLU A 37 -5.554 -5.024 -14.629 1.00 0.34 C ATOM 607 OE1 GLU A 37 -6.409 -5.632 -13.951 1.00 64.33 O ATOM 608 OE2 GLU A 37 -5.779 -4.685 -15.811 1.00 52.11 O ATOM 0 H GLU A 37 -3.074 -2.181 -14.779 1.00 40.53 H new ATOM 0 HA GLU A 37 -5.803 -2.412 -14.028 1.00 4.23 H new ATOM 0 HB2 GLU A 37 -3.246 -3.303 -12.625 1.00 35.04 H new ATOM 0 HB3 GLU A 37 -4.860 -3.787 -12.143 1.00 35.04 H new ATOM 0 HG2 GLU A 37 -3.475 -4.456 -14.779 1.00 32.32 H new ATOM 0 HG3 GLU A 37 -3.815 -5.567 -13.468 1.00 32.32 H new ATOM 615 N LEU A 38 -3.972 -0.324 -12.204 1.00 13.23 N ATOM 616 CA LEU A 38 -4.028 0.670 -11.099 1.00 24.30 C ATOM 617 C LEU A 38 -5.043 1.788 -11.389 1.00 53.32 C ATOM 618 O LEU A 38 -5.772 2.212 -10.492 1.00 61.15 O ATOM 619 CB LEU A 38 -2.614 1.261 -10.782 1.00 3.12 C ATOM 620 CG LEU A 38 -1.939 2.228 -11.840 1.00 3.04 C ATOM 621 CD1 LEU A 38 -2.316 3.722 -11.638 1.00 11.53 C ATOM 622 CD2 LEU A 38 -0.416 2.070 -11.844 1.00 62.45 C ATOM 0 H LEU A 38 -3.080 -0.349 -12.698 1.00 13.23 H new ATOM 0 HA LEU A 38 -4.370 0.138 -10.211 1.00 24.30 H new ATOM 0 HB2 LEU A 38 -2.686 1.802 -9.838 1.00 3.12 H new ATOM 0 HB3 LEU A 38 -1.935 0.424 -10.619 1.00 3.12 H new ATOM 0 HG LEU A 38 -2.336 1.926 -12.809 1.00 3.04 H new ATOM 0 HD11 LEU A 38 -1.820 4.328 -12.396 1.00 11.53 H new ATOM 0 HD12 LEU A 38 -3.396 3.840 -11.729 1.00 11.53 H new ATOM 0 HD13 LEU A 38 -1.997 4.047 -10.648 1.00 11.53 H new ATOM 0 HD21 LEU A 38 0.018 2.747 -12.580 1.00 62.45 H new ATOM 0 HD22 LEU A 38 -0.023 2.308 -10.856 1.00 62.45 H new ATOM 0 HD23 LEU A 38 -0.157 1.042 -12.099 1.00 62.45 H new ATOM 634 N LYS A 39 -5.092 2.239 -12.661 1.00 0.22 N ATOM 635 CA LYS A 39 -5.965 3.354 -13.075 1.00 64.50 C ATOM 636 C LYS A 39 -7.447 2.909 -13.039 1.00 64.45 C ATOM 637 O LYS A 39 -8.335 3.727 -12.811 1.00 11.14 O ATOM 638 CB LYS A 39 -5.533 3.905 -14.472 1.00 21.24 C ATOM 639 CG LYS A 39 -5.716 2.927 -15.651 1.00 74.13 C ATOM 640 CD LYS A 39 -5.124 3.429 -16.999 1.00 24.51 C ATOM 641 CE LYS A 39 -3.587 3.545 -16.990 1.00 2.02 C ATOM 642 NZ LYS A 39 -3.037 3.880 -18.340 1.00 73.15 N ATOM 0 H LYS A 39 -4.535 1.845 -13.419 1.00 0.22 H new ATOM 0 HA LYS A 39 -5.858 4.179 -12.370 1.00 64.50 H new ATOM 0 HB2 LYS A 39 -6.104 4.810 -14.680 1.00 21.24 H new ATOM 0 HB3 LYS A 39 -4.484 4.195 -14.421 1.00 21.24 H new ATOM 0 HG2 LYS A 39 -5.249 1.976 -15.395 1.00 74.13 H new ATOM 0 HG3 LYS A 39 -6.780 2.733 -15.785 1.00 74.13 H new ATOM 0 HD2 LYS A 39 -5.424 2.748 -17.795 1.00 24.51 H new ATOM 0 HD3 LYS A 39 -5.553 4.403 -17.235 1.00 24.51 H new ATOM 0 HE2 LYS A 39 -3.287 4.312 -16.277 1.00 2.02 H new ATOM 0 HE3 LYS A 39 -3.156 2.605 -16.647 1.00 2.02 H new ATOM 0 HZ1 LYS A 39 -2.001 3.948 -18.286 1.00 73.15 H new ATOM 0 HZ2 LYS A 39 -3.300 3.135 -19.017 1.00 73.15 H new ATOM 0 HZ3 LYS A 39 -3.427 4.790 -18.658 1.00 73.15 H new ATOM 656 N LYS A 40 -7.670 1.588 -13.216 1.00 1.52 N ATOM 657 CA LYS A 40 -8.993 0.942 -13.081 1.00 22.25 C ATOM 658 C LYS A 40 -9.439 0.903 -11.602 1.00 54.22 C ATOM 659 O LYS A 40 -10.612 1.151 -11.296 1.00 14.22 O ATOM 660 CB LYS A 40 -8.921 -0.496 -13.668 1.00 41.00 C ATOM 661 CG LYS A 40 -8.622 -0.552 -15.192 1.00 64.34 C ATOM 662 CD LYS A 40 -8.189 -1.961 -15.675 1.00 5.11 C ATOM 663 CE LYS A 40 -9.264 -3.039 -15.472 1.00 12.03 C ATOM 664 NZ LYS A 40 -8.744 -4.403 -15.781 1.00 33.30 N ATOM 0 H LYS A 40 -6.927 0.933 -13.460 1.00 1.52 H new ATOM 0 HA LYS A 40 -9.732 1.523 -13.634 1.00 22.25 H new ATOM 0 HB2 LYS A 40 -8.149 -1.054 -13.138 1.00 41.00 H new ATOM 0 HB3 LYS A 40 -9.868 -1.001 -13.477 1.00 41.00 H new ATOM 0 HG2 LYS A 40 -9.511 -0.243 -15.742 1.00 64.34 H new ATOM 0 HG3 LYS A 40 -7.835 0.164 -15.429 1.00 64.34 H new ATOM 0 HD2 LYS A 40 -7.933 -1.910 -16.733 1.00 5.11 H new ATOM 0 HD3 LYS A 40 -7.285 -2.256 -15.142 1.00 5.11 H new ATOM 0 HE2 LYS A 40 -9.619 -3.010 -14.442 1.00 12.03 H new ATOM 0 HE3 LYS A 40 -10.121 -2.823 -16.110 1.00 12.03 H new ATOM 0 HZ1 LYS A 40 -9.134 -4.726 -16.689 1.00 33.30 H new ATOM 0 HZ2 LYS A 40 -7.706 -4.374 -15.841 1.00 33.30 H new ATOM 0 HZ3 LYS A 40 -9.029 -5.062 -15.028 1.00 33.30 H new ATOM 678 N GLU A 41 -8.481 0.622 -10.692 1.00 52.42 N ATOM 679 CA GLU A 41 -8.751 0.535 -9.241 1.00 71.55 C ATOM 680 C GLU A 41 -9.107 1.914 -8.672 1.00 32.21 C ATOM 681 O GLU A 41 -10.038 2.032 -7.869 1.00 5.12 O ATOM 682 CB GLU A 41 -7.539 -0.063 -8.476 1.00 51.22 C ATOM 683 CG GLU A 41 -7.039 -1.427 -9.002 1.00 42.30 C ATOM 684 CD GLU A 41 -8.119 -2.523 -9.058 1.00 43.52 C ATOM 685 OE1 GLU A 41 -8.876 -2.593 -10.056 1.00 65.51 O ATOM 686 OE2 GLU A 41 -8.208 -3.332 -8.118 1.00 24.13 O ATOM 0 H GLU A 41 -7.507 0.450 -10.940 1.00 52.42 H new ATOM 0 HA GLU A 41 -9.602 -0.132 -9.104 1.00 71.55 H new ATOM 0 HB2 GLU A 41 -6.715 0.649 -8.519 1.00 51.22 H new ATOM 0 HB3 GLU A 41 -7.811 -0.174 -7.426 1.00 51.22 H new ATOM 0 HG2 GLU A 41 -6.628 -1.288 -10.002 1.00 42.30 H new ATOM 0 HG3 GLU A 41 -6.223 -1.771 -8.366 1.00 42.30 H new ATOM 693 N MET A 42 -8.372 2.954 -9.128 1.00 10.44 N ATOM 694 CA MET A 42 -8.606 4.353 -8.713 1.00 53.34 C ATOM 695 C MET A 42 -10.041 4.792 -9.059 1.00 4.04 C ATOM 696 O MET A 42 -10.688 5.494 -8.269 1.00 62.51 O ATOM 697 CB MET A 42 -7.588 5.307 -9.384 1.00 22.24 C ATOM 698 CG MET A 42 -6.108 5.071 -9.025 1.00 52.03 C ATOM 699 SD MET A 42 -5.718 5.330 -7.271 1.00 72.43 S ATOM 700 CE MET A 42 -5.736 3.659 -6.608 1.00 5.33 C ATOM 0 H MET A 42 -7.604 2.846 -9.791 1.00 10.44 H new ATOM 0 HA MET A 42 -8.473 4.405 -7.632 1.00 53.34 H new ATOM 0 HB2 MET A 42 -7.698 5.222 -10.465 1.00 22.24 H new ATOM 0 HB3 MET A 42 -7.848 6.331 -9.117 1.00 22.24 H new ATOM 0 HG2 MET A 42 -5.837 4.051 -9.299 1.00 52.03 H new ATOM 0 HG3 MET A 42 -5.489 5.738 -9.626 1.00 52.03 H new ATOM 0 HE1 MET A 42 -5.688 3.699 -5.520 1.00 5.33 H new ATOM 0 HE2 MET A 42 -6.654 3.156 -6.913 1.00 5.33 H new ATOM 0 HE3 MET A 42 -4.877 3.107 -6.989 1.00 5.33 H new ATOM 710 N LYS A 43 -10.526 4.337 -10.240 1.00 24.10 N ATOM 711 CA LYS A 43 -11.894 4.614 -10.710 1.00 74.14 C ATOM 712 C LYS A 43 -12.923 4.042 -9.721 1.00 51.53 C ATOM 713 O LYS A 43 -13.860 4.731 -9.332 1.00 52.24 O ATOM 714 CB LYS A 43 -12.133 4.019 -12.130 1.00 11.11 C ATOM 715 CG LYS A 43 -11.335 4.698 -13.265 1.00 24.33 C ATOM 716 CD LYS A 43 -11.645 4.091 -14.656 1.00 64.53 C ATOM 717 CE LYS A 43 -10.820 4.729 -15.785 1.00 14.14 C ATOM 718 NZ LYS A 43 -11.139 4.144 -17.120 1.00 1.04 N ATOM 0 H LYS A 43 -9.978 3.770 -10.887 1.00 24.10 H new ATOM 0 HA LYS A 43 -12.016 5.696 -10.769 1.00 74.14 H new ATOM 0 HB2 LYS A 43 -11.879 2.959 -12.111 1.00 11.11 H new ATOM 0 HB3 LYS A 43 -13.196 4.088 -12.362 1.00 11.11 H new ATOM 0 HG2 LYS A 43 -11.564 5.764 -13.278 1.00 24.33 H new ATOM 0 HG3 LYS A 43 -10.268 4.604 -13.061 1.00 24.33 H new ATOM 0 HD2 LYS A 43 -11.449 3.019 -14.631 1.00 64.53 H new ATOM 0 HD3 LYS A 43 -12.706 4.216 -14.873 1.00 64.53 H new ATOM 0 HE2 LYS A 43 -11.008 5.802 -15.807 1.00 14.14 H new ATOM 0 HE3 LYS A 43 -9.759 4.595 -15.576 1.00 14.14 H new ATOM 0 HZ1 LYS A 43 -10.558 4.606 -17.849 1.00 1.04 H new ATOM 0 HZ2 LYS A 43 -10.936 3.124 -17.110 1.00 1.04 H new ATOM 0 HZ3 LYS A 43 -12.146 4.294 -17.333 1.00 1.04 H new ATOM 732 N LYS A 44 -12.684 2.788 -9.286 1.00 40.51 N ATOM 733 CA LYS A 44 -13.603 2.041 -8.397 1.00 4.30 C ATOM 734 C LYS A 44 -13.660 2.617 -6.968 1.00 63.41 C ATOM 735 O LYS A 44 -14.635 2.386 -6.257 1.00 63.14 O ATOM 736 CB LYS A 44 -13.227 0.532 -8.377 1.00 24.05 C ATOM 737 CG LYS A 44 -13.303 -0.140 -9.768 1.00 42.22 C ATOM 738 CD LYS A 44 -14.688 0.040 -10.436 1.00 22.34 C ATOM 739 CE LYS A 44 -14.737 -0.501 -11.868 1.00 42.33 C ATOM 740 NZ LYS A 44 -16.012 -0.140 -12.540 1.00 63.01 N ATOM 0 H LYS A 44 -11.848 2.262 -9.540 1.00 40.51 H new ATOM 0 HA LYS A 44 -14.606 2.153 -8.809 1.00 4.30 H new ATOM 0 HB2 LYS A 44 -12.216 0.423 -7.984 1.00 24.05 H new ATOM 0 HB3 LYS A 44 -13.894 0.008 -7.692 1.00 24.05 H new ATOM 0 HG2 LYS A 44 -12.533 0.282 -10.415 1.00 42.22 H new ATOM 0 HG3 LYS A 44 -13.087 -1.204 -9.667 1.00 42.22 H new ATOM 0 HD2 LYS A 44 -15.443 -0.467 -9.836 1.00 22.34 H new ATOM 0 HD3 LYS A 44 -14.946 1.099 -10.445 1.00 22.34 H new ATOM 0 HE2 LYS A 44 -13.898 -0.102 -12.438 1.00 42.33 H new ATOM 0 HE3 LYS A 44 -14.626 -1.585 -11.853 1.00 42.33 H new ATOM 0 HZ1 LYS A 44 -15.840 0.006 -13.555 1.00 63.01 H new ATOM 0 HZ2 LYS A 44 -16.701 -0.908 -12.413 1.00 63.01 H new ATOM 0 HZ3 LYS A 44 -16.388 0.735 -12.123 1.00 63.01 H new ATOM 754 N LEU A 45 -12.611 3.348 -6.558 1.00 43.42 N ATOM 755 CA LEU A 45 -12.576 4.042 -5.250 1.00 30.03 C ATOM 756 C LEU A 45 -13.552 5.236 -5.223 1.00 74.23 C ATOM 757 O LEU A 45 -14.137 5.551 -4.180 1.00 41.50 O ATOM 758 CB LEU A 45 -11.140 4.537 -4.937 1.00 52.24 C ATOM 759 CG LEU A 45 -10.028 3.452 -4.934 1.00 52.15 C ATOM 760 CD1 LEU A 45 -8.652 4.083 -4.656 1.00 23.04 C ATOM 761 CD2 LEU A 45 -10.344 2.305 -3.944 1.00 63.32 C ATOM 0 H LEU A 45 -11.767 3.477 -7.115 1.00 43.42 H new ATOM 0 HA LEU A 45 -12.885 3.326 -4.489 1.00 30.03 H new ATOM 0 HB2 LEU A 45 -10.873 5.300 -5.669 1.00 52.24 H new ATOM 0 HB3 LEU A 45 -11.149 5.021 -3.961 1.00 52.24 H new ATOM 0 HG LEU A 45 -9.997 3.006 -5.928 1.00 52.15 H new ATOM 0 HD11 LEU A 45 -7.888 3.306 -4.658 1.00 23.04 H new ATOM 0 HD12 LEU A 45 -8.425 4.817 -5.429 1.00 23.04 H new ATOM 0 HD13 LEU A 45 -8.667 4.574 -3.683 1.00 23.04 H new ATOM 0 HD21 LEU A 45 -9.542 1.568 -3.973 1.00 63.32 H new ATOM 0 HD22 LEU A 45 -10.430 2.708 -2.935 1.00 63.32 H new ATOM 0 HD23 LEU A 45 -11.284 1.830 -4.226 1.00 63.32 H new ATOM 773 N ALA A 46 -13.696 5.905 -6.380 1.00 40.13 N ATOM 774 CA ALA A 46 -14.584 7.068 -6.533 1.00 52.43 C ATOM 775 C ALA A 46 -16.027 6.616 -6.831 1.00 3.30 C ATOM 776 O ALA A 46 -16.981 7.166 -6.262 1.00 14.25 O ATOM 777 CB ALA A 46 -14.051 7.989 -7.637 1.00 1.11 C ATOM 0 H ALA A 46 -13.200 5.654 -7.235 1.00 40.13 H new ATOM 0 HA ALA A 46 -14.601 7.627 -5.597 1.00 52.43 H new ATOM 0 HB1 ALA A 46 -14.713 8.848 -7.745 1.00 1.11 H new ATOM 0 HB2 ALA A 46 -13.051 8.333 -7.373 1.00 1.11 H new ATOM 0 HB3 ALA A 46 -14.010 7.442 -8.579 1.00 1.11 H new ATOM 783 N GLU A 47 -16.161 5.610 -7.728 1.00 62.21 N ATOM 784 CA GLU A 47 -17.457 4.984 -8.091 1.00 45.11 C ATOM 785 C GLU A 47 -18.126 4.377 -6.846 1.00 60.32 C ATOM 786 O GLU A 47 -19.316 4.609 -6.582 1.00 75.25 O ATOM 787 CB GLU A 47 -17.241 3.888 -9.185 1.00 63.13 C ATOM 788 CG GLU A 47 -16.853 4.430 -10.581 1.00 14.34 C ATOM 789 CD GLU A 47 -16.538 3.318 -11.603 1.00 22.24 C ATOM 790 OE1 GLU A 47 -17.442 2.513 -11.928 1.00 23.24 O ATOM 791 OE2 GLU A 47 -15.398 3.244 -12.104 1.00 43.41 O ATOM 0 H GLU A 47 -15.367 5.206 -8.224 1.00 62.21 H new ATOM 0 HA GLU A 47 -18.115 5.753 -8.495 1.00 45.11 H new ATOM 0 HB2 GLU A 47 -16.461 3.206 -8.846 1.00 63.13 H new ATOM 0 HB3 GLU A 47 -18.156 3.304 -9.279 1.00 63.13 H new ATOM 0 HG2 GLU A 47 -17.668 5.045 -10.963 1.00 14.34 H new ATOM 0 HG3 GLU A 47 -15.983 5.079 -10.482 1.00 14.34 H new ATOM 798 N GLU A 48 -17.331 3.610 -6.086 1.00 52.44 N ATOM 799 CA GLU A 48 -17.753 2.987 -4.827 1.00 42.15 C ATOM 800 C GLU A 48 -17.065 3.713 -3.661 1.00 62.31 C ATOM 801 O GLU A 48 -15.877 3.507 -3.399 1.00 14.33 O ATOM 802 CB GLU A 48 -17.410 1.471 -4.819 1.00 25.43 C ATOM 803 CG GLU A 48 -18.001 0.671 -5.998 1.00 74.23 C ATOM 804 CD GLU A 48 -19.529 0.819 -6.124 1.00 24.42 C ATOM 805 OE1 GLU A 48 -20.255 0.360 -5.212 1.00 5.13 O ATOM 806 OE2 GLU A 48 -20.014 1.392 -7.124 1.00 21.20 O ATOM 0 H GLU A 48 -16.363 3.403 -6.334 1.00 52.44 H new ATOM 0 HA GLU A 48 -18.834 3.075 -4.720 1.00 42.15 H new ATOM 0 HB2 GLU A 48 -16.326 1.357 -4.828 1.00 25.43 H new ATOM 0 HB3 GLU A 48 -17.769 1.036 -3.886 1.00 25.43 H new ATOM 0 HG2 GLU A 48 -17.532 1.002 -6.925 1.00 74.23 H new ATOM 0 HG3 GLU A 48 -17.753 -0.383 -5.874 1.00 74.23 H new ATOM 813 N LYS A 49 -17.806 4.617 -3.012 1.00 41.11 N ATOM 814 CA LYS A 49 -17.324 5.384 -1.845 1.00 23.00 C ATOM 815 C LYS A 49 -17.945 4.865 -0.531 1.00 52.41 C ATOM 816 O LYS A 49 -17.296 4.896 0.523 1.00 21.42 O ATOM 817 CB LYS A 49 -17.640 6.893 -2.044 1.00 54.44 C ATOM 818 CG LYS A 49 -19.146 7.212 -2.186 1.00 64.35 C ATOM 819 CD LYS A 49 -19.454 8.716 -2.348 1.00 23.35 C ATOM 820 CE LYS A 49 -18.874 9.329 -3.632 1.00 15.40 C ATOM 821 NZ LYS A 49 -19.253 10.762 -3.775 1.00 53.15 N ATOM 0 H LYS A 49 -18.764 4.843 -3.279 1.00 41.11 H new ATOM 0 HA LYS A 49 -16.245 5.251 -1.768 1.00 23.00 H new ATOM 0 HB2 LYS A 49 -17.240 7.451 -1.197 1.00 54.44 H new ATOM 0 HB3 LYS A 49 -17.120 7.247 -2.934 1.00 54.44 H new ATOM 0 HG2 LYS A 49 -19.541 6.675 -3.048 1.00 64.35 H new ATOM 0 HG3 LYS A 49 -19.671 6.836 -1.308 1.00 64.35 H new ATOM 0 HD2 LYS A 49 -20.535 8.859 -2.343 1.00 23.35 H new ATOM 0 HD3 LYS A 49 -19.057 9.254 -1.487 1.00 23.35 H new ATOM 0 HE2 LYS A 49 -17.788 9.239 -3.621 1.00 15.40 H new ATOM 0 HE3 LYS A 49 -19.231 8.770 -4.497 1.00 15.40 H new ATOM 0 HZ1 LYS A 49 -18.845 11.143 -4.652 1.00 53.15 H new ATOM 0 HZ2 LYS A 49 -20.289 10.845 -3.811 1.00 53.15 H new ATOM 0 HZ3 LYS A 49 -18.890 11.300 -2.962 1.00 53.15 H new ATOM 835 N ASN A 50 -19.191 4.350 -0.613 1.00 63.04 N ATOM 836 CA ASN A 50 -20.053 4.088 0.565 1.00 43.50 C ATOM 837 C ASN A 50 -19.761 2.698 1.184 1.00 33.24 C ATOM 838 O ASN A 50 -20.539 1.754 1.019 1.00 31.12 O ATOM 839 CB ASN A 50 -21.549 4.234 0.146 1.00 32.00 C ATOM 840 CG ASN A 50 -22.534 4.256 1.328 1.00 53.31 C ATOM 841 OD1 ASN A 50 -23.003 3.217 1.797 1.00 24.04 O ATOM 842 ND2 ASN A 50 -22.870 5.447 1.806 1.00 11.35 N ATOM 0 H ASN A 50 -19.630 4.103 -1.500 1.00 63.04 H new ATOM 0 HA ASN A 50 -19.832 4.821 1.341 1.00 43.50 H new ATOM 0 HB2 ASN A 50 -21.666 5.153 -0.428 1.00 32.00 H new ATOM 0 HB3 ASN A 50 -21.812 3.409 -0.516 1.00 32.00 H new ATOM 0 HD21 ASN A 50 -23.531 5.518 2.580 1.00 11.35 H new ATOM 0 HD22 ASN A 50 -22.467 6.292 1.400 1.00 11.35 H new ATOM 849 N PHE A 51 -18.586 2.589 1.840 1.00 11.52 N ATOM 850 CA PHE A 51 -18.145 1.388 2.590 1.00 70.34 C ATOM 851 C PHE A 51 -16.807 1.678 3.296 1.00 12.11 C ATOM 852 O PHE A 51 -16.286 2.801 3.216 1.00 5.23 O ATOM 853 CB PHE A 51 -18.041 0.113 1.686 1.00 31.23 C ATOM 854 CG PHE A 51 -17.007 0.130 0.560 1.00 64.51 C ATOM 855 CD1 PHE A 51 -17.051 1.094 -0.437 1.00 11.53 C ATOM 856 CD2 PHE A 51 -16.016 -0.847 0.478 1.00 53.30 C ATOM 857 CE1 PHE A 51 -16.143 1.087 -1.462 1.00 71.05 C ATOM 858 CE2 PHE A 51 -15.106 -0.848 -0.553 1.00 64.41 C ATOM 859 CZ PHE A 51 -15.173 0.121 -1.526 1.00 43.21 C ATOM 0 H PHE A 51 -17.903 3.346 1.865 1.00 11.52 H new ATOM 0 HA PHE A 51 -18.908 1.168 3.337 1.00 70.34 H new ATOM 0 HB2 PHE A 51 -17.824 -0.739 2.330 1.00 31.23 H new ATOM 0 HB3 PHE A 51 -19.020 -0.065 1.241 1.00 31.23 H new ATOM 0 HD1 PHE A 51 -17.812 1.860 -0.404 1.00 11.53 H new ATOM 0 HD2 PHE A 51 -15.962 -1.615 1.236 1.00 53.30 H new ATOM 0 HE1 PHE A 51 -16.192 1.849 -2.226 1.00 71.05 H new ATOM 0 HE2 PHE A 51 -14.340 -1.608 -0.598 1.00 64.41 H new ATOM 0 HZ PHE A 51 -14.462 0.121 -2.339 1.00 43.21 H new ATOM 869 N GLU A 52 -16.258 0.662 3.987 1.00 52.11 N ATOM 870 CA GLU A 52 -14.938 0.750 4.642 1.00 35.23 C ATOM 871 C GLU A 52 -13.792 0.891 3.609 1.00 14.11 C ATOM 872 O GLU A 52 -14.022 1.021 2.393 1.00 53.41 O ATOM 873 CB GLU A 52 -14.691 -0.457 5.610 1.00 73.11 C ATOM 874 CG GLU A 52 -14.652 -1.870 4.976 1.00 30.04 C ATOM 875 CD GLU A 52 -16.022 -2.348 4.467 1.00 21.32 C ATOM 876 OE1 GLU A 52 -16.952 -2.485 5.277 1.00 31.31 O ATOM 877 OE2 GLU A 52 -16.189 -2.568 3.261 1.00 64.41 O ATOM 0 H GLU A 52 -16.715 -0.242 4.107 1.00 52.11 H new ATOM 0 HA GLU A 52 -14.942 1.657 5.247 1.00 35.23 H new ATOM 0 HB2 GLU A 52 -13.745 -0.290 6.125 1.00 73.11 H new ATOM 0 HB3 GLU A 52 -15.473 -0.448 6.369 1.00 73.11 H new ATOM 0 HG2 GLU A 52 -13.945 -1.869 4.147 1.00 30.04 H new ATOM 0 HG3 GLU A 52 -14.278 -2.581 5.713 1.00 30.04 H new ATOM 884 N LYS A 53 -12.557 0.879 4.114 1.00 2.30 N ATOM 885 CA LYS A 53 -11.358 1.241 3.339 1.00 3.44 C ATOM 886 C LYS A 53 -10.697 0.005 2.706 1.00 4.25 C ATOM 887 O LYS A 53 -10.836 -1.121 3.191 1.00 61.51 O ATOM 888 CB LYS A 53 -10.345 2.079 4.183 1.00 10.41 C ATOM 889 CG LYS A 53 -9.980 1.556 5.596 1.00 61.11 C ATOM 890 CD LYS A 53 -11.055 1.893 6.659 1.00 4.54 C ATOM 891 CE LYS A 53 -10.565 1.710 8.091 1.00 61.12 C ATOM 892 NZ LYS A 53 -11.566 2.180 9.081 1.00 34.34 N ATOM 0 H LYS A 53 -12.354 0.617 5.079 1.00 2.30 H new ATOM 0 HA LYS A 53 -11.688 1.882 2.521 1.00 3.44 H new ATOM 0 HB2 LYS A 53 -9.422 2.167 3.609 1.00 10.41 H new ATOM 0 HB3 LYS A 53 -10.750 3.085 4.292 1.00 10.41 H new ATOM 0 HG2 LYS A 53 -9.844 0.475 5.554 1.00 61.11 H new ATOM 0 HG3 LYS A 53 -9.026 1.986 5.902 1.00 61.11 H new ATOM 0 HD2 LYS A 53 -11.380 2.924 6.523 1.00 4.54 H new ATOM 0 HD3 LYS A 53 -11.927 1.260 6.497 1.00 4.54 H new ATOM 0 HE2 LYS A 53 -10.345 0.657 8.268 1.00 61.12 H new ATOM 0 HE3 LYS A 53 -9.633 2.258 8.229 1.00 61.12 H new ATOM 0 HZ1 LYS A 53 -11.196 2.039 10.043 1.00 34.34 H new ATOM 0 HZ2 LYS A 53 -11.757 3.191 8.928 1.00 34.34 H new ATOM 0 HZ3 LYS A 53 -12.447 1.640 8.967 1.00 34.34 H new ATOM 906 N ILE A 54 -9.982 0.263 1.599 1.00 35.11 N ATOM 907 CA ILE A 54 -9.461 -0.767 0.687 1.00 33.02 C ATOM 908 C ILE A 54 -7.934 -0.871 0.854 1.00 12.31 C ATOM 909 O ILE A 54 -7.251 0.144 1.043 1.00 51.02 O ATOM 910 CB ILE A 54 -9.814 -0.438 -0.832 1.00 53.53 C ATOM 911 CG1 ILE A 54 -11.361 -0.249 -1.062 1.00 52.44 C ATOM 912 CG2 ILE A 54 -9.249 -1.510 -1.799 1.00 15.33 C ATOM 913 CD1 ILE A 54 -11.924 1.090 -0.598 1.00 22.24 C ATOM 0 H ILE A 54 -9.746 1.212 1.308 1.00 35.11 H new ATOM 0 HA ILE A 54 -9.932 -1.717 0.941 1.00 33.02 H new ATOM 0 HB ILE A 54 -9.330 0.513 -1.056 1.00 53.53 H new ATOM 0 HG12 ILE A 54 -11.572 -0.366 -2.125 1.00 52.44 H new ATOM 0 HG13 ILE A 54 -11.890 -1.048 -0.543 1.00 52.44 H new ATOM 0 HG21 ILE A 54 -9.511 -1.249 -2.824 1.00 15.33 H new ATOM 0 HG22 ILE A 54 -8.164 -1.553 -1.701 1.00 15.33 H new ATOM 0 HG23 ILE A 54 -9.674 -2.483 -1.552 1.00 15.33 H new ATOM 0 HD11 ILE A 54 -12.995 1.124 -0.799 1.00 22.24 H new ATOM 0 HD12 ILE A 54 -11.752 1.206 0.472 1.00 22.24 H new ATOM 0 HD13 ILE A 54 -11.428 1.899 -1.135 1.00 22.24 H new ATOM 925 N LEU A 55 -7.417 -2.103 0.792 1.00 15.25 N ATOM 926 CA LEU A 55 -5.985 -2.377 0.869 1.00 62.21 C ATOM 927 C LEU A 55 -5.450 -2.683 -0.538 1.00 52.34 C ATOM 928 O LEU A 55 -5.884 -3.643 -1.181 1.00 2.30 O ATOM 929 CB LEU A 55 -5.714 -3.533 1.869 1.00 61.20 C ATOM 930 CG LEU A 55 -4.193 -3.878 2.124 1.00 33.22 C ATOM 931 CD1 LEU A 55 -3.907 -4.163 3.618 1.00 64.44 C ATOM 932 CD2 LEU A 55 -3.698 -5.042 1.227 1.00 45.52 C ATOM 0 H LEU A 55 -7.988 -2.942 0.686 1.00 15.25 H new ATOM 0 HA LEU A 55 -5.455 -1.502 1.245 1.00 62.21 H new ATOM 0 HB2 LEU A 55 -6.174 -3.278 2.824 1.00 61.20 H new ATOM 0 HB3 LEU A 55 -6.214 -4.430 1.503 1.00 61.20 H new ATOM 0 HG LEU A 55 -3.625 -2.991 1.845 1.00 33.22 H new ATOM 0 HD11 LEU A 55 -2.850 -4.396 3.748 1.00 64.44 H new ATOM 0 HD12 LEU A 55 -4.161 -3.284 4.211 1.00 64.44 H new ATOM 0 HD13 LEU A 55 -4.508 -5.010 3.948 1.00 64.44 H new ATOM 0 HD21 LEU A 55 -2.648 -5.243 1.438 1.00 45.52 H new ATOM 0 HD22 LEU A 55 -4.287 -5.936 1.433 1.00 45.52 H new ATOM 0 HD23 LEU A 55 -3.811 -4.767 0.178 1.00 45.52 H new ATOM 944 N ILE A 56 -4.533 -1.835 -1.010 1.00 32.20 N ATOM 945 CA ILE A 56 -3.864 -1.984 -2.312 1.00 71.41 C ATOM 946 C ILE A 56 -2.472 -2.632 -2.102 1.00 13.24 C ATOM 947 O ILE A 56 -1.789 -2.323 -1.131 1.00 61.30 O ATOM 948 CB ILE A 56 -3.682 -0.580 -3.023 1.00 0.30 C ATOM 949 CG1 ILE A 56 -5.024 0.226 -3.078 1.00 74.32 C ATOM 950 CG2 ILE A 56 -3.080 -0.738 -4.444 1.00 51.31 C ATOM 951 CD1 ILE A 56 -6.145 -0.413 -3.886 1.00 22.22 C ATOM 0 H ILE A 56 -4.227 -1.011 -0.493 1.00 32.20 H new ATOM 0 HA ILE A 56 -4.484 -2.616 -2.947 1.00 71.41 H new ATOM 0 HB ILE A 56 -2.978 -0.009 -2.417 1.00 0.30 H new ATOM 0 HG12 ILE A 56 -5.377 0.378 -2.058 1.00 74.32 H new ATOM 0 HG13 ILE A 56 -4.817 1.212 -3.494 1.00 74.32 H new ATOM 0 HG21 ILE A 56 -2.969 0.244 -4.903 1.00 51.31 H new ATOM 0 HG22 ILE A 56 -2.104 -1.219 -4.374 1.00 51.31 H new ATOM 0 HG23 ILE A 56 -3.744 -1.351 -5.054 1.00 51.31 H new ATOM 0 HD11 ILE A 56 -7.026 0.228 -3.857 1.00 22.22 H new ATOM 0 HD12 ILE A 56 -5.822 -0.539 -4.919 1.00 22.22 H new ATOM 0 HD13 ILE A 56 -6.391 -1.386 -3.461 1.00 22.22 H new ATOM 963 N ILE A 57 -2.086 -3.553 -2.996 1.00 51.25 N ATOM 964 CA ILE A 57 -0.714 -4.095 -3.094 1.00 4.23 C ATOM 965 C ILE A 57 -0.187 -3.771 -4.510 1.00 52.24 C ATOM 966 O ILE A 57 -0.959 -3.810 -5.469 1.00 65.21 O ATOM 967 CB ILE A 57 -0.683 -5.665 -2.861 1.00 70.24 C ATOM 968 CG1 ILE A 57 -1.326 -6.049 -1.486 1.00 4.22 C ATOM 969 CG2 ILE A 57 0.760 -6.233 -2.978 1.00 74.32 C ATOM 970 CD1 ILE A 57 -1.424 -7.548 -1.221 1.00 4.53 C ATOM 0 H ILE A 57 -2.725 -3.952 -3.684 1.00 51.25 H new ATOM 0 HA ILE A 57 -0.091 -3.642 -2.322 1.00 4.23 H new ATOM 0 HB ILE A 57 -1.282 -6.120 -3.650 1.00 70.24 H new ATOM 0 HG12 ILE A 57 -0.742 -5.591 -0.688 1.00 4.22 H new ATOM 0 HG13 ILE A 57 -2.327 -5.620 -1.436 1.00 4.22 H new ATOM 0 HG21 ILE A 57 0.742 -7.310 -2.813 1.00 74.32 H new ATOM 0 HG22 ILE A 57 1.153 -6.025 -3.973 1.00 74.32 H new ATOM 0 HG23 ILE A 57 1.398 -5.762 -2.230 1.00 74.32 H new ATOM 0 HD11 ILE A 57 -1.882 -7.716 -0.246 1.00 4.53 H new ATOM 0 HD12 ILE A 57 -2.035 -8.015 -1.994 1.00 4.53 H new ATOM 0 HD13 ILE A 57 -0.426 -7.986 -1.233 1.00 4.53 H new ATOM 982 N SER A 58 1.102 -3.421 -4.629 1.00 2.31 N ATOM 983 CA SER A 58 1.781 -3.230 -5.924 1.00 23.02 C ATOM 984 C SER A 58 3.300 -3.408 -5.749 1.00 44.34 C ATOM 985 O SER A 58 3.883 -2.901 -4.784 1.00 62.31 O ATOM 986 CB SER A 58 1.453 -1.847 -6.533 1.00 23.20 C ATOM 987 OG SER A 58 2.031 -1.700 -7.821 1.00 41.40 O ATOM 0 H SER A 58 1.709 -3.261 -3.825 1.00 2.31 H new ATOM 0 HA SER A 58 1.415 -3.985 -6.620 1.00 23.02 H new ATOM 0 HB2 SER A 58 0.372 -1.724 -6.601 1.00 23.20 H new ATOM 0 HB3 SER A 58 1.822 -1.061 -5.875 1.00 23.20 H new ATOM 0 HG SER A 58 1.790 -2.470 -8.378 1.00 41.40 H new ATOM 993 N ASN A 59 3.937 -4.106 -6.710 1.00 20.15 N ATOM 994 CA ASN A 59 5.356 -4.529 -6.614 1.00 35.53 C ATOM 995 C ASN A 59 6.311 -3.547 -7.329 1.00 22.52 C ATOM 996 O ASN A 59 7.489 -3.869 -7.538 1.00 30.14 O ATOM 997 CB ASN A 59 5.521 -5.958 -7.197 1.00 4.22 C ATOM 998 CG ASN A 59 4.645 -7.005 -6.501 1.00 61.00 C ATOM 999 OD1 ASN A 59 4.361 -6.917 -5.305 1.00 52.51 O ATOM 1000 ND2 ASN A 59 4.206 -8.002 -7.255 1.00 14.25 N ATOM 0 H ASN A 59 3.485 -4.395 -7.578 1.00 20.15 H new ATOM 0 HA ASN A 59 5.627 -4.529 -5.558 1.00 35.53 H new ATOM 0 HB2 ASN A 59 5.277 -5.939 -8.259 1.00 4.22 H new ATOM 0 HB3 ASN A 59 6.566 -6.257 -7.115 1.00 4.22 H new ATOM 0 HD21 ASN A 59 3.614 -8.727 -6.849 1.00 14.25 H new ATOM 0 HD22 ASN A 59 4.460 -8.045 -8.242 1.00 14.25 H new ATOM 1007 N ASP A 60 5.815 -2.345 -7.678 1.00 20.21 N ATOM 1008 CA ASP A 60 6.623 -1.311 -8.368 1.00 21.02 C ATOM 1009 C ASP A 60 6.308 0.075 -7.796 1.00 53.24 C ATOM 1010 O ASP A 60 5.139 0.438 -7.653 1.00 32.31 O ATOM 1011 CB ASP A 60 6.364 -1.344 -9.896 1.00 32.12 C ATOM 1012 CG ASP A 60 7.114 -0.243 -10.671 1.00 51.43 C ATOM 1013 OD1 ASP A 60 8.345 -0.349 -10.825 1.00 73.21 O ATOM 1014 OD2 ASP A 60 6.481 0.730 -11.127 1.00 50.41 O ATOM 0 H ASP A 60 4.853 -2.061 -7.494 1.00 20.21 H new ATOM 0 HA ASP A 60 7.678 -1.525 -8.199 1.00 21.02 H new ATOM 0 HB2 ASP A 60 6.661 -2.318 -10.286 1.00 32.12 H new ATOM 0 HB3 ASP A 60 5.294 -1.240 -10.077 1.00 32.12 H new ATOM 1019 N LYS A 61 7.374 0.848 -7.524 1.00 74.15 N ATOM 1020 CA LYS A 61 7.301 2.144 -6.825 1.00 22.31 C ATOM 1021 C LYS A 61 6.689 3.240 -7.693 1.00 63.43 C ATOM 1022 O LYS A 61 6.127 4.197 -7.163 1.00 13.23 O ATOM 1023 CB LYS A 61 8.712 2.569 -6.367 1.00 62.21 C ATOM 1024 CG LYS A 61 9.397 1.549 -5.442 1.00 15.54 C ATOM 1025 CD LYS A 61 10.909 1.814 -5.315 1.00 61.22 C ATOM 1026 CE LYS A 61 11.643 0.686 -4.592 1.00 51.35 C ATOM 1027 NZ LYS A 61 13.102 0.699 -4.888 1.00 32.14 N ATOM 0 H LYS A 61 8.324 0.587 -7.787 1.00 74.15 H new ATOM 0 HA LYS A 61 6.649 2.011 -5.961 1.00 22.31 H new ATOM 0 HB2 LYS A 61 9.337 2.726 -7.246 1.00 62.21 H new ATOM 0 HB3 LYS A 61 8.643 3.526 -5.850 1.00 62.21 H new ATOM 0 HG2 LYS A 61 8.937 1.588 -4.454 1.00 15.54 H new ATOM 0 HG3 LYS A 61 9.236 0.543 -5.829 1.00 15.54 H new ATOM 0 HD2 LYS A 61 11.337 1.942 -6.309 1.00 61.22 H new ATOM 0 HD3 LYS A 61 11.067 2.749 -4.777 1.00 61.22 H new ATOM 0 HE2 LYS A 61 11.489 0.782 -3.517 1.00 51.35 H new ATOM 0 HE3 LYS A 61 11.220 -0.273 -4.890 1.00 51.35 H new ATOM 0 HZ1 LYS A 61 13.440 -0.277 -5.009 1.00 32.14 H new ATOM 0 HZ2 LYS A 61 13.274 1.236 -5.762 1.00 32.14 H new ATOM 0 HZ3 LYS A 61 13.612 1.147 -4.100 1.00 32.14 H new ATOM 1041 N GLN A 62 6.813 3.108 -9.021 1.00 1.14 N ATOM 1042 CA GLN A 62 6.252 4.092 -9.958 1.00 34.44 C ATOM 1043 C GLN A 62 4.734 3.900 -10.080 1.00 24.34 C ATOM 1044 O GLN A 62 4.006 4.877 -10.246 1.00 51.24 O ATOM 1045 CB GLN A 62 6.945 4.017 -11.337 1.00 52.32 C ATOM 1046 CG GLN A 62 8.473 4.216 -11.294 1.00 40.21 C ATOM 1047 CD GLN A 62 8.896 5.520 -10.612 1.00 31.34 C ATOM 1048 OE1 GLN A 62 9.124 5.560 -9.402 1.00 41.21 O ATOM 1049 NE2 GLN A 62 8.994 6.595 -11.373 1.00 23.41 N ATOM 0 H GLN A 62 7.296 2.330 -9.470 1.00 1.14 H new ATOM 0 HA GLN A 62 6.440 5.090 -9.562 1.00 34.44 H new ATOM 0 HB2 GLN A 62 6.730 3.047 -11.786 1.00 52.32 H new ATOM 0 HB3 GLN A 62 6.511 4.774 -11.990 1.00 52.32 H new ATOM 0 HG2 GLN A 62 8.927 3.376 -10.769 1.00 40.21 H new ATOM 0 HG3 GLN A 62 8.863 4.204 -12.312 1.00 40.21 H new ATOM 0 HE21 GLN A 62 8.799 6.532 -12.372 1.00 23.41 H new ATOM 0 HE22 GLN A 62 9.265 7.488 -10.961 1.00 23.41 H new ATOM 1058 N LEU A 63 4.268 2.634 -9.943 1.00 12.01 N ATOM 1059 CA LEU A 63 2.826 2.322 -9.913 1.00 10.23 C ATOM 1060 C LEU A 63 2.219 2.887 -8.617 1.00 44.51 C ATOM 1061 O LEU A 63 1.169 3.556 -8.643 1.00 11.22 O ATOM 1062 CB LEU A 63 2.565 0.786 -10.002 1.00 30.44 C ATOM 1063 CG LEU A 63 3.148 0.037 -11.244 1.00 22.40 C ATOM 1064 CD1 LEU A 63 2.626 -1.416 -11.313 1.00 20.14 C ATOM 1065 CD2 LEU A 63 2.888 0.801 -12.561 1.00 61.32 C ATOM 0 H LEU A 63 4.872 1.817 -9.852 1.00 12.01 H new ATOM 0 HA LEU A 63 2.354 2.782 -10.781 1.00 10.23 H new ATOM 0 HB2 LEU A 63 2.972 0.321 -9.104 1.00 30.44 H new ATOM 0 HB3 LEU A 63 1.487 0.624 -9.984 1.00 30.44 H new ATOM 0 HG LEU A 63 4.230 -0.004 -11.118 1.00 22.40 H new ATOM 0 HD11 LEU A 63 3.048 -1.913 -12.187 1.00 20.14 H new ATOM 0 HD12 LEU A 63 2.923 -1.952 -10.412 1.00 20.14 H new ATOM 0 HD13 LEU A 63 1.539 -1.409 -11.389 1.00 20.14 H new ATOM 0 HD21 LEU A 63 3.311 0.242 -13.396 1.00 61.32 H new ATOM 0 HD22 LEU A 63 1.814 0.916 -12.709 1.00 61.32 H new ATOM 0 HD23 LEU A 63 3.355 1.785 -12.509 1.00 61.32 H new ATOM 1077 N LEU A 64 2.943 2.627 -7.492 1.00 4.11 N ATOM 1078 CA LEU A 64 2.618 3.160 -6.159 1.00 30.23 C ATOM 1079 C LEU A 64 2.484 4.681 -6.221 1.00 41.13 C ATOM 1080 O LEU A 64 1.458 5.204 -5.846 1.00 13.32 O ATOM 1081 CB LEU A 64 3.708 2.795 -5.115 1.00 41.20 C ATOM 1082 CG LEU A 64 3.903 1.284 -4.811 1.00 51.31 C ATOM 1083 CD1 LEU A 64 5.137 1.062 -3.925 1.00 45.30 C ATOM 1084 CD2 LEU A 64 2.644 0.673 -4.169 1.00 0.11 C ATOM 0 H LEU A 64 3.774 2.035 -7.497 1.00 4.11 H new ATOM 0 HA LEU A 64 1.675 2.710 -5.850 1.00 30.23 H new ATOM 0 HB2 LEU A 64 4.660 3.198 -5.461 1.00 41.20 H new ATOM 0 HB3 LEU A 64 3.468 3.302 -4.181 1.00 41.20 H new ATOM 0 HG LEU A 64 4.069 0.772 -5.759 1.00 51.31 H new ATOM 0 HD11 LEU A 64 5.254 -0.003 -3.725 1.00 45.30 H new ATOM 0 HD12 LEU A 64 6.024 1.435 -4.437 1.00 45.30 H new ATOM 0 HD13 LEU A 64 5.010 1.596 -2.983 1.00 45.30 H new ATOM 0 HD21 LEU A 64 2.814 -0.385 -3.969 1.00 0.11 H new ATOM 0 HD22 LEU A 64 2.426 1.188 -3.234 1.00 0.11 H new ATOM 0 HD23 LEU A 64 1.799 0.782 -4.849 1.00 0.11 H new ATOM 1096 N LYS A 65 3.519 5.346 -6.778 1.00 72.51 N ATOM 1097 CA LYS A 65 3.639 6.819 -6.819 1.00 63.22 C ATOM 1098 C LYS A 65 2.433 7.459 -7.532 1.00 51.32 C ATOM 1099 O LYS A 65 1.825 8.374 -6.973 1.00 62.41 O ATOM 1100 CB LYS A 65 5.006 7.229 -7.470 1.00 0.53 C ATOM 1101 CG LYS A 65 5.203 8.733 -7.849 1.00 64.15 C ATOM 1102 CD LYS A 65 4.834 9.749 -6.738 1.00 44.42 C ATOM 1103 CE LYS A 65 5.600 9.566 -5.426 1.00 40.11 C ATOM 1104 NZ LYS A 65 5.161 10.569 -4.417 1.00 63.11 N ATOM 0 H LYS A 65 4.305 4.868 -7.218 1.00 72.51 H new ATOM 0 HA LYS A 65 3.630 7.202 -5.799 1.00 63.22 H new ATOM 0 HB2 LYS A 65 5.804 6.948 -6.782 1.00 0.53 H new ATOM 0 HB3 LYS A 65 5.140 6.634 -8.373 1.00 0.53 H new ATOM 0 HG2 LYS A 65 6.245 8.887 -8.128 1.00 64.15 H new ATOM 0 HG3 LYS A 65 4.601 8.950 -8.732 1.00 64.15 H new ATOM 0 HD2 LYS A 65 5.015 10.757 -7.111 1.00 44.42 H new ATOM 0 HD3 LYS A 65 3.766 9.672 -6.534 1.00 44.42 H new ATOM 0 HE2 LYS A 65 5.436 8.560 -5.041 1.00 40.11 H new ATOM 0 HE3 LYS A 65 6.670 9.668 -5.606 1.00 40.11 H new ATOM 0 HZ1 LYS A 65 5.947 10.776 -3.769 1.00 63.11 H new ATOM 0 HZ2 LYS A 65 4.871 11.443 -4.900 1.00 63.11 H new ATOM 0 HZ3 LYS A 65 4.358 10.189 -3.877 1.00 63.11 H new ATOM 1118 N GLU A 66 2.076 6.937 -8.722 1.00 43.11 N ATOM 1119 CA GLU A 66 0.900 7.414 -9.486 1.00 45.10 C ATOM 1120 C GLU A 66 -0.376 7.345 -8.626 1.00 63.01 C ATOM 1121 O GLU A 66 -1.110 8.339 -8.515 1.00 32.21 O ATOM 1122 CB GLU A 66 0.718 6.587 -10.780 1.00 51.34 C ATOM 1123 CG GLU A 66 1.890 6.696 -11.771 1.00 32.15 C ATOM 1124 CD GLU A 66 1.712 5.797 -12.997 1.00 42.15 C ATOM 1125 OE1 GLU A 66 1.778 4.563 -12.845 1.00 12.33 O ATOM 1126 OE2 GLU A 66 1.471 6.317 -14.114 1.00 35.12 O ATOM 0 H GLU A 66 2.586 6.181 -9.179 1.00 43.11 H new ATOM 0 HA GLU A 66 1.076 8.454 -9.760 1.00 45.10 H new ATOM 0 HB2 GLU A 66 0.581 5.540 -10.512 1.00 51.34 H new ATOM 0 HB3 GLU A 66 -0.196 6.911 -11.279 1.00 51.34 H new ATOM 0 HG2 GLU A 66 1.990 7.731 -12.096 1.00 32.15 H new ATOM 0 HG3 GLU A 66 2.817 6.430 -11.262 1.00 32.15 H new ATOM 1133 N MET A 67 -0.580 6.183 -7.970 1.00 60.21 N ATOM 1134 CA MET A 67 -1.740 5.958 -7.092 1.00 62.32 C ATOM 1135 C MET A 67 -1.725 6.907 -5.867 1.00 44.42 C ATOM 1136 O MET A 67 -2.740 7.515 -5.580 1.00 64.01 O ATOM 1137 CB MET A 67 -1.829 4.472 -6.654 1.00 21.04 C ATOM 1138 CG MET A 67 -2.155 3.500 -7.797 1.00 61.02 C ATOM 1139 SD MET A 67 -2.383 1.788 -7.252 1.00 62.53 S ATOM 1140 CE MET A 67 -0.708 1.269 -6.867 1.00 52.44 C ATOM 0 H MET A 67 0.050 5.384 -8.035 1.00 60.21 H new ATOM 0 HA MET A 67 -2.636 6.191 -7.668 1.00 62.32 H new ATOM 0 HB2 MET A 67 -0.881 4.180 -6.202 1.00 21.04 H new ATOM 0 HB3 MET A 67 -2.592 4.377 -5.882 1.00 21.04 H new ATOM 0 HG2 MET A 67 -3.062 3.836 -8.300 1.00 61.02 H new ATOM 0 HG3 MET A 67 -1.351 3.534 -8.532 1.00 61.02 H new ATOM 0 HE1 MET A 67 -0.418 0.453 -7.530 1.00 52.44 H new ATOM 0 HE2 MET A 67 -0.026 2.108 -7.005 1.00 52.44 H new ATOM 0 HE3 MET A 67 -0.661 0.930 -5.832 1.00 52.44 H new ATOM 1150 N LEU A 68 -0.551 7.071 -5.211 1.00 22.40 N ATOM 1151 CA LEU A 68 -0.373 7.931 -4.007 1.00 74.22 C ATOM 1152 C LEU A 68 -0.860 9.371 -4.266 1.00 3.52 C ATOM 1153 O LEU A 68 -1.511 9.977 -3.406 1.00 13.30 O ATOM 1154 CB LEU A 68 1.127 7.950 -3.562 1.00 64.44 C ATOM 1155 CG LEU A 68 1.726 6.590 -3.073 1.00 32.33 C ATOM 1156 CD1 LEU A 68 3.254 6.670 -2.914 1.00 22.00 C ATOM 1157 CD2 LEU A 68 1.063 6.114 -1.771 1.00 35.23 C ATOM 0 H LEU A 68 0.310 6.607 -5.502 1.00 22.40 H new ATOM 0 HA LEU A 68 -0.978 7.504 -3.207 1.00 74.22 H new ATOM 0 HB2 LEU A 68 1.727 8.306 -4.399 1.00 64.44 H new ATOM 0 HB3 LEU A 68 1.236 8.679 -2.759 1.00 64.44 H new ATOM 0 HG LEU A 68 1.510 5.851 -3.844 1.00 32.33 H new ATOM 0 HD11 LEU A 68 3.635 5.707 -2.573 1.00 22.00 H new ATOM 0 HD12 LEU A 68 3.707 6.921 -3.873 1.00 22.00 H new ATOM 0 HD13 LEU A 68 3.504 7.439 -2.183 1.00 22.00 H new ATOM 0 HD21 LEU A 68 1.505 5.167 -1.463 1.00 35.23 H new ATOM 0 HD22 LEU A 68 1.219 6.858 -0.990 1.00 35.23 H new ATOM 0 HD23 LEU A 68 -0.006 5.979 -1.935 1.00 35.23 H new ATOM 1169 N GLU A 69 -0.566 9.877 -5.481 1.00 3.34 N ATOM 1170 CA GLU A 69 -0.954 11.232 -5.908 1.00 12.12 C ATOM 1171 C GLU A 69 -2.468 11.305 -6.190 1.00 73.40 C ATOM 1172 O GLU A 69 -3.137 12.261 -5.788 1.00 3.43 O ATOM 1173 CB GLU A 69 -0.158 11.669 -7.169 1.00 61.53 C ATOM 1174 CG GLU A 69 1.375 11.499 -7.076 1.00 13.31 C ATOM 1175 CD GLU A 69 1.987 12.031 -5.767 1.00 2.51 C ATOM 1176 OE1 GLU A 69 2.108 13.265 -5.617 1.00 44.01 O ATOM 1177 OE2 GLU A 69 2.351 11.220 -4.879 1.00 43.34 O ATOM 0 H GLU A 69 -0.053 9.356 -6.192 1.00 3.34 H new ATOM 0 HA GLU A 69 -0.715 11.916 -5.093 1.00 12.12 H new ATOM 0 HB2 GLU A 69 -0.519 11.096 -8.023 1.00 61.53 H new ATOM 0 HB3 GLU A 69 -0.379 12.717 -7.372 1.00 61.53 H new ATOM 0 HG2 GLU A 69 1.619 10.441 -7.176 1.00 13.31 H new ATOM 0 HG3 GLU A 69 1.839 12.014 -7.917 1.00 13.31 H new ATOM 1184 N LEU A 70 -2.997 10.271 -6.870 1.00 54.41 N ATOM 1185 CA LEU A 70 -4.426 10.198 -7.241 1.00 45.12 C ATOM 1186 C LEU A 70 -5.336 10.121 -5.994 1.00 45.42 C ATOM 1187 O LEU A 70 -6.331 10.825 -5.912 1.00 13.04 O ATOM 1188 CB LEU A 70 -4.666 9.009 -8.210 1.00 44.24 C ATOM 1189 CG LEU A 70 -4.006 9.176 -9.617 1.00 15.23 C ATOM 1190 CD1 LEU A 70 -4.136 7.894 -10.461 1.00 25.21 C ATOM 1191 CD2 LEU A 70 -4.585 10.407 -10.354 1.00 53.44 C ATOM 0 H LEU A 70 -2.451 9.466 -7.177 1.00 54.41 H new ATOM 0 HA LEU A 70 -4.694 11.118 -7.761 1.00 45.12 H new ATOM 0 HB2 LEU A 70 -4.284 8.098 -7.749 1.00 44.24 H new ATOM 0 HB3 LEU A 70 -5.740 8.874 -8.340 1.00 44.24 H new ATOM 0 HG LEU A 70 -2.940 9.350 -9.467 1.00 15.23 H new ATOM 0 HD11 LEU A 70 -3.666 8.048 -11.432 1.00 25.21 H new ATOM 0 HD12 LEU A 70 -3.644 7.068 -9.947 1.00 25.21 H new ATOM 0 HD13 LEU A 70 -5.190 7.657 -10.602 1.00 25.21 H new ATOM 0 HD21 LEU A 70 -4.111 10.503 -11.331 1.00 53.44 H new ATOM 0 HD22 LEU A 70 -5.660 10.281 -10.484 1.00 53.44 H new ATOM 0 HD23 LEU A 70 -4.393 11.306 -9.768 1.00 53.44 H new ATOM 1203 N ILE A 71 -4.934 9.312 -5.010 1.00 52.41 N ATOM 1204 CA ILE A 71 -5.644 9.154 -3.720 1.00 33.14 C ATOM 1205 C ILE A 71 -5.570 10.469 -2.894 1.00 54.04 C ATOM 1206 O ILE A 71 -6.523 10.839 -2.184 1.00 71.45 O ATOM 1207 CB ILE A 71 -5.013 7.945 -2.932 1.00 54.15 C ATOM 1208 CG1 ILE A 71 -5.116 6.631 -3.784 1.00 5.15 C ATOM 1209 CG2 ILE A 71 -5.664 7.751 -1.544 1.00 74.21 C ATOM 1210 CD1 ILE A 71 -4.157 5.524 -3.370 1.00 22.24 C ATOM 0 H ILE A 71 -4.095 8.736 -5.080 1.00 52.41 H new ATOM 0 HA ILE A 71 -6.698 8.944 -3.902 1.00 33.14 H new ATOM 0 HB ILE A 71 -3.962 8.176 -2.760 1.00 54.15 H new ATOM 0 HG12 ILE A 71 -6.136 6.252 -3.719 1.00 5.15 H new ATOM 0 HG13 ILE A 71 -4.934 6.878 -4.830 1.00 5.15 H new ATOM 0 HG21 ILE A 71 -5.197 6.906 -1.038 1.00 74.21 H new ATOM 0 HG22 ILE A 71 -5.526 8.653 -0.948 1.00 74.21 H new ATOM 0 HG23 ILE A 71 -6.730 7.557 -1.666 1.00 74.21 H new ATOM 0 HD11 ILE A 71 -4.302 4.657 -4.015 1.00 22.24 H new ATOM 0 HD12 ILE A 71 -3.130 5.878 -3.463 1.00 22.24 H new ATOM 0 HD13 ILE A 71 -4.351 5.243 -2.335 1.00 22.24 H new ATOM 1222 N SER A 72 -4.443 11.189 -3.058 1.00 22.22 N ATOM 1223 CA SER A 72 -4.193 12.488 -2.407 1.00 45.51 C ATOM 1224 C SER A 72 -5.191 13.560 -2.917 1.00 25.10 C ATOM 1225 O SER A 72 -5.746 14.329 -2.122 1.00 24.10 O ATOM 1226 CB SER A 72 -2.733 12.927 -2.676 1.00 4.03 C ATOM 1227 OG SER A 72 -2.348 14.058 -1.913 1.00 13.32 O ATOM 0 H SER A 72 -3.673 10.881 -3.652 1.00 22.22 H new ATOM 0 HA SER A 72 -4.341 12.381 -1.332 1.00 45.51 H new ATOM 0 HB2 SER A 72 -2.062 12.098 -2.451 1.00 4.03 H new ATOM 0 HB3 SER A 72 -2.616 13.153 -3.736 1.00 4.03 H new ATOM 0 HG SER A 72 -1.419 14.291 -2.120 1.00 13.32 H new ATOM 1233 N LYS A 73 -5.434 13.579 -4.254 1.00 73.21 N ATOM 1234 CA LYS A 73 -6.373 14.540 -4.886 1.00 51.13 C ATOM 1235 C LYS A 73 -7.828 14.032 -4.821 1.00 60.21 C ATOM 1236 O LYS A 73 -8.764 14.812 -5.032 1.00 15.35 O ATOM 1237 CB LYS A 73 -5.926 14.917 -6.344 1.00 4.12 C ATOM 1238 CG LYS A 73 -5.704 13.751 -7.347 1.00 41.21 C ATOM 1239 CD LYS A 73 -7.003 13.174 -7.964 1.00 24.32 C ATOM 1240 CE LYS A 73 -7.775 14.191 -8.823 1.00 25.20 C ATOM 1241 NZ LYS A 73 -8.988 13.584 -9.429 1.00 71.13 N ATOM 0 H LYS A 73 -4.992 12.939 -4.914 1.00 73.21 H new ATOM 0 HA LYS A 73 -6.340 15.464 -4.309 1.00 51.13 H new ATOM 0 HB2 LYS A 73 -6.678 15.585 -6.765 1.00 4.12 H new ATOM 0 HB3 LYS A 73 -4.998 15.484 -6.276 1.00 4.12 H new ATOM 0 HG2 LYS A 73 -5.059 14.101 -8.153 1.00 41.21 H new ATOM 0 HG3 LYS A 73 -5.171 12.948 -6.838 1.00 41.21 H new ATOM 0 HD2 LYS A 73 -6.752 12.308 -8.577 1.00 24.32 H new ATOM 0 HD3 LYS A 73 -7.651 12.820 -7.162 1.00 24.32 H new ATOM 0 HE2 LYS A 73 -8.062 15.044 -8.208 1.00 25.20 H new ATOM 0 HE3 LYS A 73 -7.125 14.571 -9.611 1.00 25.20 H new ATOM 0 HZ1 LYS A 73 -9.484 14.297 -10.001 1.00 71.13 H new ATOM 0 HZ2 LYS A 73 -8.711 12.786 -10.035 1.00 71.13 H new ATOM 0 HZ3 LYS A 73 -9.619 13.244 -8.676 1.00 71.13 H new ATOM 1255 N LEU A 74 -8.011 12.721 -4.543 1.00 44.42 N ATOM 1256 CA LEU A 74 -9.335 12.141 -4.212 1.00 51.02 C ATOM 1257 C LEU A 74 -9.758 12.598 -2.807 1.00 61.13 C ATOM 1258 O LEU A 74 -10.950 12.659 -2.496 1.00 24.32 O ATOM 1259 CB LEU A 74 -9.311 10.578 -4.283 1.00 61.25 C ATOM 1260 CG LEU A 74 -9.310 9.938 -5.710 1.00 43.43 C ATOM 1261 CD1 LEU A 74 -9.090 8.401 -5.642 1.00 75.00 C ATOM 1262 CD2 LEU A 74 -10.609 10.288 -6.469 1.00 64.33 C ATOM 0 H LEU A 74 -7.252 12.039 -4.541 1.00 44.42 H new ATOM 0 HA LEU A 74 -10.057 12.495 -4.948 1.00 51.02 H new ATOM 0 HB2 LEU A 74 -8.426 10.227 -3.752 1.00 61.25 H new ATOM 0 HB3 LEU A 74 -10.178 10.200 -3.741 1.00 61.25 H new ATOM 0 HG LEU A 74 -8.473 10.360 -6.266 1.00 43.43 H new ATOM 0 HD11 LEU A 74 -9.095 7.988 -6.651 1.00 75.00 H new ATOM 0 HD12 LEU A 74 -8.131 8.191 -5.169 1.00 75.00 H new ATOM 0 HD13 LEU A 74 -9.890 7.944 -5.059 1.00 75.00 H new ATOM 0 HD21 LEU A 74 -10.586 9.832 -7.459 1.00 64.33 H new ATOM 0 HD22 LEU A 74 -11.468 9.909 -5.915 1.00 64.33 H new ATOM 0 HD23 LEU A 74 -10.691 11.370 -6.570 1.00 64.33 H new ATOM 1274 N GLY A 75 -8.753 12.888 -1.960 1.00 71.14 N ATOM 1275 CA GLY A 75 -8.979 13.454 -0.628 1.00 25.05 C ATOM 1276 C GLY A 75 -9.035 12.395 0.456 1.00 5.43 C ATOM 1277 O GLY A 75 -9.443 12.677 1.587 1.00 10.14 O ATOM 0 H GLY A 75 -7.769 12.736 -2.183 1.00 71.14 H new ATOM 0 HA2 GLY A 75 -8.182 14.161 -0.398 1.00 25.05 H new ATOM 0 HA3 GLY A 75 -9.913 14.016 -0.630 1.00 25.05 H new ATOM 1281 N TYR A 76 -8.622 11.167 0.104 1.00 43.23 N ATOM 1282 CA TYR A 76 -8.555 10.038 1.044 1.00 31.43 C ATOM 1283 C TYR A 76 -7.237 10.097 1.831 1.00 31.05 C ATOM 1284 O TYR A 76 -6.254 10.685 1.351 1.00 4.05 O ATOM 1285 CB TYR A 76 -8.668 8.698 0.274 1.00 41.32 C ATOM 1286 CG TYR A 76 -9.923 8.546 -0.609 1.00 20.21 C ATOM 1287 CD1 TYR A 76 -11.149 9.101 -0.236 1.00 61.53 C ATOM 1288 CD2 TYR A 76 -9.880 7.831 -1.811 1.00 62.10 C ATOM 1289 CE1 TYR A 76 -12.271 8.952 -1.022 1.00 73.13 C ATOM 1290 CE2 TYR A 76 -11.005 7.680 -2.598 1.00 33.21 C ATOM 1291 CZ TYR A 76 -12.196 8.244 -2.202 1.00 51.23 C ATOM 1292 OH TYR A 76 -13.320 8.104 -2.985 1.00 52.44 O ATOM 0 H TYR A 76 -8.325 10.929 -0.842 1.00 43.23 H new ATOM 0 HA TYR A 76 -9.387 10.104 1.746 1.00 31.43 H new ATOM 0 HB2 TYR A 76 -7.786 8.585 -0.356 1.00 41.32 H new ATOM 0 HB3 TYR A 76 -8.651 7.881 0.996 1.00 41.32 H new ATOM 0 HD1 TYR A 76 -11.219 9.658 0.687 1.00 61.53 H new ATOM 0 HD2 TYR A 76 -8.948 7.388 -2.130 1.00 62.10 H new ATOM 0 HE1 TYR A 76 -13.209 9.390 -0.713 1.00 73.13 H new ATOM 0 HE2 TYR A 76 -10.950 7.121 -3.521 1.00 33.21 H new ATOM 0 HH TYR A 76 -13.392 7.176 -3.291 1.00 52.44 H new ATOM 1302 N LYS A 77 -7.211 9.479 3.023 1.00 25.12 N ATOM 1303 CA LYS A 77 -6.018 9.475 3.884 1.00 0.41 C ATOM 1304 C LYS A 77 -5.081 8.350 3.420 1.00 22.14 C ATOM 1305 O LYS A 77 -5.451 7.171 3.408 1.00 60.41 O ATOM 1306 CB LYS A 77 -6.385 9.359 5.391 1.00 23.15 C ATOM 1307 CG LYS A 77 -5.152 9.330 6.339 1.00 32.34 C ATOM 1308 CD LYS A 77 -5.481 9.504 7.848 1.00 33.24 C ATOM 1309 CE LYS A 77 -6.378 8.395 8.440 1.00 72.23 C ATOM 1310 NZ LYS A 77 -7.830 8.590 8.147 1.00 42.23 N ATOM 0 H LYS A 77 -8.007 8.974 3.413 1.00 25.12 H new ATOM 0 HA LYS A 77 -5.500 10.429 3.787 1.00 0.41 H new ATOM 0 HB2 LYS A 77 -7.022 10.199 5.665 1.00 23.15 H new ATOM 0 HB3 LYS A 77 -6.970 8.452 5.544 1.00 23.15 H new ATOM 0 HG2 LYS A 77 -4.630 8.383 6.203 1.00 32.34 H new ATOM 0 HG3 LYS A 77 -4.463 10.120 6.039 1.00 32.34 H new ATOM 0 HD2 LYS A 77 -4.547 9.536 8.409 1.00 33.24 H new ATOM 0 HD3 LYS A 77 -5.972 10.466 7.991 1.00 33.24 H new ATOM 0 HE2 LYS A 77 -6.061 7.430 8.043 1.00 72.23 H new ATOM 0 HE3 LYS A 77 -6.234 8.359 9.520 1.00 72.23 H new ATOM 0 HZ1 LYS A 77 -8.398 8.154 8.901 1.00 42.23 H new ATOM 0 HZ2 LYS A 77 -8.041 9.607 8.099 1.00 42.23 H new ATOM 0 HZ3 LYS A 77 -8.063 8.145 7.236 1.00 42.23 H new ATOM 1324 N VAL A 78 -3.878 8.745 2.995 1.00 71.00 N ATOM 1325 CA VAL A 78 -2.935 7.857 2.308 1.00 4.33 C ATOM 1326 C VAL A 78 -1.971 7.202 3.314 1.00 71.15 C ATOM 1327 O VAL A 78 -1.474 7.858 4.240 1.00 45.54 O ATOM 1328 CB VAL A 78 -2.120 8.636 1.208 1.00 4.55 C ATOM 1329 CG1 VAL A 78 -1.287 7.672 0.340 1.00 44.02 C ATOM 1330 CG2 VAL A 78 -3.048 9.511 0.330 1.00 1.24 C ATOM 0 H VAL A 78 -3.528 9.695 3.118 1.00 71.00 H new ATOM 0 HA VAL A 78 -3.515 7.075 1.817 1.00 4.33 H new ATOM 0 HB VAL A 78 -1.429 9.301 1.726 1.00 4.55 H new ATOM 0 HG11 VAL A 78 -0.736 8.241 -0.409 1.00 44.02 H new ATOM 0 HG12 VAL A 78 -0.584 7.129 0.972 1.00 44.02 H new ATOM 0 HG13 VAL A 78 -1.951 6.964 -0.157 1.00 44.02 H new ATOM 0 HG21 VAL A 78 -2.453 10.035 -0.418 1.00 1.24 H new ATOM 0 HG22 VAL A 78 -3.782 8.877 -0.168 1.00 1.24 H new ATOM 0 HG23 VAL A 78 -3.563 10.238 0.958 1.00 1.24 H new ATOM 1340 N PHE A 79 -1.727 5.904 3.109 1.00 52.03 N ATOM 1341 CA PHE A 79 -0.765 5.105 3.871 1.00 31.40 C ATOM 1342 C PHE A 79 0.082 4.319 2.851 1.00 63.44 C ATOM 1343 O PHE A 79 -0.434 3.861 1.828 1.00 43.31 O ATOM 1344 CB PHE A 79 -1.527 4.148 4.846 1.00 31.03 C ATOM 1345 CG PHE A 79 -0.666 3.419 5.900 1.00 3.44 C ATOM 1346 CD1 PHE A 79 0.222 2.404 5.544 1.00 64.01 C ATOM 1347 CD2 PHE A 79 -0.772 3.733 7.254 1.00 2.42 C ATOM 1348 CE1 PHE A 79 0.971 1.736 6.491 1.00 32.31 C ATOM 1349 CE2 PHE A 79 -0.017 3.061 8.201 1.00 63.12 C ATOM 1350 CZ PHE A 79 0.849 2.067 7.819 1.00 34.04 C ATOM 0 H PHE A 79 -2.207 5.366 2.388 1.00 52.03 H new ATOM 0 HA PHE A 79 -0.116 5.734 4.481 1.00 31.40 H new ATOM 0 HB2 PHE A 79 -2.289 4.727 5.368 1.00 31.03 H new ATOM 0 HB3 PHE A 79 -2.048 3.398 4.251 1.00 31.03 H new ATOM 0 HD1 PHE A 79 0.326 2.135 4.503 1.00 64.01 H new ATOM 0 HD2 PHE A 79 -1.452 4.511 7.569 1.00 2.42 H new ATOM 0 HE1 PHE A 79 1.652 0.954 6.189 1.00 32.31 H new ATOM 0 HE2 PHE A 79 -0.110 3.320 9.245 1.00 63.12 H new ATOM 0 HZ PHE A 79 1.434 1.545 8.562 1.00 34.04 H new ATOM 1360 N LEU A 80 1.379 4.185 3.123 1.00 24.12 N ATOM 1361 CA LEU A 80 2.299 3.372 2.313 1.00 3.14 C ATOM 1362 C LEU A 80 3.097 2.473 3.267 1.00 63.34 C ATOM 1363 O LEU A 80 3.445 2.889 4.372 1.00 64.25 O ATOM 1364 CB LEU A 80 3.242 4.284 1.468 1.00 51.51 C ATOM 1365 CG LEU A 80 4.250 3.556 0.508 1.00 3.34 C ATOM 1366 CD1 LEU A 80 3.531 2.772 -0.603 1.00 54.21 C ATOM 1367 CD2 LEU A 80 5.263 4.548 -0.092 1.00 32.22 C ATOM 0 H LEU A 80 1.829 4.639 3.917 1.00 24.12 H new ATOM 0 HA LEU A 80 1.741 2.756 1.608 1.00 3.14 H new ATOM 0 HB2 LEU A 80 2.623 4.952 0.869 1.00 51.51 H new ATOM 0 HB3 LEU A 80 3.815 4.909 2.153 1.00 51.51 H new ATOM 0 HG LEU A 80 4.796 2.833 1.114 1.00 3.34 H new ATOM 0 HD11 LEU A 80 4.269 2.286 -1.241 1.00 54.21 H new ATOM 0 HD12 LEU A 80 2.885 2.017 -0.156 1.00 54.21 H new ATOM 0 HD13 LEU A 80 2.929 3.457 -1.201 1.00 54.21 H new ATOM 0 HD21 LEU A 80 5.947 4.015 -0.752 1.00 32.22 H new ATOM 0 HD22 LEU A 80 4.732 5.311 -0.660 1.00 32.22 H new ATOM 0 HD23 LEU A 80 5.828 5.021 0.711 1.00 32.22 H new ATOM 1379 N LEU A 81 3.350 1.242 2.840 1.00 64.11 N ATOM 1380 CA LEU A 81 4.110 0.238 3.592 1.00 75.52 C ATOM 1381 C LEU A 81 4.947 -0.532 2.579 1.00 55.31 C ATOM 1382 O LEU A 81 4.390 -1.213 1.725 1.00 33.40 O ATOM 1383 CB LEU A 81 3.146 -0.716 4.367 1.00 65.34 C ATOM 1384 CG LEU A 81 3.794 -1.972 5.050 1.00 54.53 C ATOM 1385 CD1 LEU A 81 4.889 -1.579 6.066 1.00 11.04 C ATOM 1386 CD2 LEU A 81 2.707 -2.867 5.694 1.00 13.24 C ATOM 0 H LEU A 81 3.025 0.900 1.936 1.00 64.11 H new ATOM 0 HA LEU A 81 4.750 0.710 4.337 1.00 75.52 H new ATOM 0 HB2 LEU A 81 2.638 -0.135 5.137 1.00 65.34 H new ATOM 0 HB3 LEU A 81 2.381 -1.063 3.673 1.00 65.34 H new ATOM 0 HG LEU A 81 4.289 -2.553 4.272 1.00 54.53 H new ATOM 0 HD11 LEU A 81 5.310 -2.479 6.514 1.00 11.04 H new ATOM 0 HD12 LEU A 81 5.677 -1.025 5.556 1.00 11.04 H new ATOM 0 HD13 LEU A 81 4.454 -0.955 6.846 1.00 11.04 H new ATOM 0 HD21 LEU A 81 3.178 -3.732 6.162 1.00 13.24 H new ATOM 0 HD22 LEU A 81 2.166 -2.296 6.449 1.00 13.24 H new ATOM 0 HD23 LEU A 81 2.011 -3.204 4.926 1.00 13.24 H new ATOM 1398 N LEU A 82 6.277 -0.403 2.650 1.00 34.34 N ATOM 1399 CA LEU A 82 7.182 -1.036 1.685 1.00 63.33 C ATOM 1400 C LEU A 82 8.253 -1.880 2.398 1.00 31.32 C ATOM 1401 O LEU A 82 8.739 -1.515 3.475 1.00 43.42 O ATOM 1402 CB LEU A 82 7.814 0.018 0.721 1.00 35.03 C ATOM 1403 CG LEU A 82 8.729 1.152 1.309 1.00 12.15 C ATOM 1404 CD1 LEU A 82 9.483 1.858 0.169 1.00 51.44 C ATOM 1405 CD2 LEU A 82 7.942 2.201 2.127 1.00 13.44 C ATOM 0 H LEU A 82 6.753 0.138 3.372 1.00 34.34 H new ATOM 0 HA LEU A 82 6.592 -1.716 1.070 1.00 63.33 H new ATOM 0 HB2 LEU A 82 8.402 -0.526 -0.018 1.00 35.03 H new ATOM 0 HB3 LEU A 82 6.997 0.502 0.185 1.00 35.03 H new ATOM 0 HG LEU A 82 9.429 0.668 1.991 1.00 12.15 H new ATOM 0 HD11 LEU A 82 10.116 2.643 0.583 1.00 51.44 H new ATOM 0 HD12 LEU A 82 10.102 1.134 -0.361 1.00 51.44 H new ATOM 0 HD13 LEU A 82 8.766 2.298 -0.524 1.00 51.44 H new ATOM 0 HD21 LEU A 82 8.629 2.957 2.506 1.00 13.44 H new ATOM 0 HD22 LEU A 82 7.197 2.676 1.489 1.00 13.44 H new ATOM 0 HD23 LEU A 82 7.444 1.711 2.964 1.00 13.44 H new ATOM 1417 N GLN A 83 8.598 -3.012 1.760 1.00 35.33 N ATOM 1418 CA GLN A 83 9.580 -3.984 2.254 1.00 33.21 C ATOM 1419 C GLN A 83 10.298 -4.604 1.046 1.00 4.12 C ATOM 1420 O GLN A 83 9.718 -4.726 -0.044 1.00 14.11 O ATOM 1421 CB GLN A 83 8.917 -5.078 3.171 1.00 51.33 C ATOM 1422 CG GLN A 83 8.291 -6.320 2.478 1.00 41.44 C ATOM 1423 CD GLN A 83 9.297 -7.438 2.126 1.00 63.25 C ATOM 1424 OE1 GLN A 83 9.135 -8.146 1.130 1.00 34.41 O ATOM 1425 NE2 GLN A 83 10.332 -7.615 2.943 1.00 64.24 N ATOM 0 H GLN A 83 8.190 -3.280 0.865 1.00 35.33 H new ATOM 0 HA GLN A 83 10.308 -3.474 2.885 1.00 33.21 H new ATOM 0 HB2 GLN A 83 9.673 -5.431 3.872 1.00 51.33 H new ATOM 0 HB3 GLN A 83 8.138 -4.594 3.760 1.00 51.33 H new ATOM 0 HG2 GLN A 83 7.522 -6.734 3.130 1.00 41.44 H new ATOM 0 HG3 GLN A 83 7.793 -5.997 1.564 1.00 41.44 H new ATOM 0 HE21 GLN A 83 10.444 -7.016 3.761 1.00 64.24 H new ATOM 0 HE22 GLN A 83 11.013 -8.350 2.751 1.00 64.24 H new ATOM 1434 N ASP A 84 11.554 -4.981 1.260 1.00 41.15 N ATOM 1435 CA ASP A 84 12.423 -5.591 0.240 1.00 21.11 C ATOM 1436 C ASP A 84 13.607 -6.233 0.971 1.00 33.25 C ATOM 1437 O ASP A 84 13.778 -6.020 2.182 1.00 72.42 O ATOM 1438 CB ASP A 84 12.901 -4.512 -0.788 1.00 72.42 C ATOM 1439 CG ASP A 84 13.418 -5.089 -2.121 1.00 34.11 C ATOM 1440 OD1 ASP A 84 14.604 -5.455 -2.208 1.00 43.02 O ATOM 1441 OD2 ASP A 84 12.623 -5.188 -3.083 1.00 44.01 O ATOM 0 H ASP A 84 12.013 -4.872 2.164 1.00 41.15 H new ATOM 0 HA ASP A 84 11.883 -6.349 -0.328 1.00 21.11 H new ATOM 0 HB2 ASP A 84 12.073 -3.834 -0.996 1.00 72.42 H new ATOM 0 HB3 ASP A 84 13.693 -3.918 -0.331 1.00 72.42 H new ATOM 1446 N GLN A 85 14.419 -7.004 0.248 1.00 23.31 N ATOM 1447 CA GLN A 85 15.655 -7.595 0.796 1.00 20.40 C ATOM 1448 C GLN A 85 16.772 -6.534 0.884 1.00 42.14 C ATOM 1449 O GLN A 85 17.759 -6.712 1.610 1.00 30.42 O ATOM 1450 CB GLN A 85 16.091 -8.805 -0.064 1.00 44.34 C ATOM 1451 CG GLN A 85 15.042 -9.942 -0.124 1.00 45.11 C ATOM 1452 CD GLN A 85 15.501 -11.159 -0.929 1.00 71.02 C ATOM 1453 OE1 GLN A 85 16.692 -11.470 -0.996 1.00 41.35 O ATOM 1454 NE2 GLN A 85 14.567 -11.852 -1.552 1.00 13.11 N ATOM 0 H GLN A 85 14.246 -7.240 -0.729 1.00 23.31 H new ATOM 0 HA GLN A 85 15.460 -7.951 1.808 1.00 20.40 H new ATOM 0 HB2 GLN A 85 16.299 -8.462 -1.077 1.00 44.34 H new ATOM 0 HB3 GLN A 85 17.023 -9.205 0.335 1.00 44.34 H new ATOM 0 HG2 GLN A 85 14.803 -10.258 0.891 1.00 45.11 H new ATOM 0 HG3 GLN A 85 14.122 -9.553 -0.562 1.00 45.11 H new ATOM 0 HE21 GLN A 85 13.589 -11.571 -1.479 1.00 13.11 H new ATOM 0 HE22 GLN A 85 14.823 -12.669 -2.107 1.00 13.11 H new ATOM 1463 N ASP A 86 16.601 -5.418 0.152 1.00 3.50 N ATOM 1464 CA ASP A 86 17.518 -4.273 0.202 1.00 2.34 C ATOM 1465 C ASP A 86 16.796 -3.057 0.810 1.00 23.41 C ATOM 1466 O ASP A 86 15.749 -2.636 0.310 1.00 4.13 O ATOM 1467 CB ASP A 86 18.067 -3.937 -1.208 1.00 4.13 C ATOM 1468 CG ASP A 86 19.135 -2.837 -1.151 1.00 33.31 C ATOM 1469 OD1 ASP A 86 20.293 -3.147 -0.793 1.00 54.44 O ATOM 1470 OD2 ASP A 86 18.821 -1.661 -1.413 1.00 12.20 O ATOM 0 H ASP A 86 15.820 -5.288 -0.491 1.00 3.50 H new ATOM 0 HA ASP A 86 18.368 -4.533 0.833 1.00 2.34 H new ATOM 0 HB2 ASP A 86 18.492 -4.835 -1.657 1.00 4.13 H new ATOM 0 HB3 ASP A 86 17.248 -3.616 -1.851 1.00 4.13 H new ATOM 1475 N GLU A 87 17.384 -2.502 1.890 1.00 62.44 N ATOM 1476 CA GLU A 87 16.796 -1.392 2.659 1.00 22.25 C ATOM 1477 C GLU A 87 17.013 -0.030 1.958 1.00 74.35 C ATOM 1478 O GLU A 87 16.224 0.891 2.164 1.00 50.43 O ATOM 1479 CB GLU A 87 17.373 -1.369 4.102 1.00 44.15 C ATOM 1480 CG GLU A 87 16.756 -0.289 5.019 1.00 60.45 C ATOM 1481 CD GLU A 87 17.369 -0.252 6.419 1.00 31.14 C ATOM 1482 OE1 GLU A 87 18.432 0.376 6.594 1.00 22.21 O ATOM 1483 OE2 GLU A 87 16.785 -0.837 7.356 1.00 12.32 O ATOM 0 H GLU A 87 18.285 -2.815 2.253 1.00 62.44 H new ATOM 0 HA GLU A 87 15.720 -1.559 2.714 1.00 22.25 H new ATOM 0 HB2 GLU A 87 17.218 -2.347 4.558 1.00 44.15 H new ATOM 0 HB3 GLU A 87 18.450 -1.210 4.047 1.00 44.15 H new ATOM 0 HG2 GLU A 87 16.881 0.688 4.551 1.00 60.45 H new ATOM 0 HG3 GLU A 87 15.684 -0.467 5.105 1.00 60.45 H new ATOM 1490 N ASN A 88 18.065 0.092 1.109 1.00 63.43 N ATOM 1491 CA ASN A 88 18.372 1.364 0.403 1.00 3.52 C ATOM 1492 C ASN A 88 17.275 1.699 -0.616 1.00 34.41 C ATOM 1493 O ASN A 88 16.865 2.856 -0.724 1.00 10.34 O ATOM 1494 CB ASN A 88 19.779 1.340 -0.267 1.00 43.23 C ATOM 1495 CG ASN A 88 20.940 1.606 0.701 1.00 22.34 C ATOM 1496 OD1 ASN A 88 20.823 1.180 1.958 1.00 61.23 O flip ATOM 1497 ND2 ASN A 88 21.954 2.194 0.317 1.00 3.31 N flip ATOM 0 H ASN A 88 18.711 -0.668 0.897 1.00 63.43 H new ATOM 0 HA ASN A 88 18.395 2.155 1.153 1.00 3.52 H new ATOM 0 HB2 ASN A 88 19.928 0.368 -0.738 1.00 43.23 H new ATOM 0 HB3 ASN A 88 19.804 2.086 -1.061 1.00 43.23 H new ATOM 0 HD21 ASN A 88 22.024 2.512 -0.650 1.00 3.31 H new ATOM 0 HD22 ASN A 88 22.723 2.362 0.966 1.00 3.31 H new ATOM 1504 N GLU A 89 16.780 0.662 -1.309 1.00 54.01 N ATOM 1505 CA GLU A 89 15.646 0.768 -2.247 1.00 42.44 C ATOM 1506 C GLU A 89 14.382 1.309 -1.566 1.00 60.25 C ATOM 1507 O GLU A 89 13.577 2.025 -2.182 1.00 1.13 O ATOM 1508 CB GLU A 89 15.357 -0.622 -2.866 1.00 45.15 C ATOM 1509 CG GLU A 89 16.429 -1.097 -3.855 1.00 40.45 C ATOM 1510 CD GLU A 89 16.632 -0.101 -5.009 1.00 33.42 C ATOM 1511 OE1 GLU A 89 15.790 -0.075 -5.932 1.00 11.31 O ATOM 1512 OE2 GLU A 89 17.607 0.680 -4.982 1.00 42.41 O ATOM 0 H GLU A 89 17.157 -0.283 -1.235 1.00 54.01 H new ATOM 0 HA GLU A 89 15.924 1.476 -3.028 1.00 42.44 H new ATOM 0 HB2 GLU A 89 15.267 -1.354 -2.064 1.00 45.15 H new ATOM 0 HB3 GLU A 89 14.395 -0.588 -3.377 1.00 45.15 H new ATOM 0 HG2 GLU A 89 17.372 -1.237 -3.327 1.00 40.45 H new ATOM 0 HG3 GLU A 89 16.143 -2.068 -4.260 1.00 40.45 H new ATOM 1519 N LEU A 90 14.234 0.948 -0.299 1.00 50.13 N ATOM 1520 CA LEU A 90 13.065 1.272 0.508 1.00 63.14 C ATOM 1521 C LEU A 90 13.147 2.688 1.075 1.00 61.11 C ATOM 1522 O LEU A 90 12.226 3.480 0.909 1.00 14.24 O ATOM 1523 CB LEU A 90 12.971 0.246 1.644 1.00 3.31 C ATOM 1524 CG LEU A 90 12.838 -1.220 1.183 1.00 24.44 C ATOM 1525 CD1 LEU A 90 12.950 -2.187 2.375 1.00 24.42 C ATOM 1526 CD2 LEU A 90 11.529 -1.403 0.386 1.00 35.52 C ATOM 0 H LEU A 90 14.938 0.411 0.207 1.00 50.13 H new ATOM 0 HA LEU A 90 12.174 1.232 -0.118 1.00 63.14 H new ATOM 0 HB2 LEU A 90 13.859 0.336 2.270 1.00 3.31 H new ATOM 0 HB3 LEU A 90 12.113 0.495 2.269 1.00 3.31 H new ATOM 0 HG LEU A 90 13.664 -1.464 0.515 1.00 24.44 H new ATOM 0 HD11 LEU A 90 12.853 -3.213 2.021 1.00 24.42 H new ATOM 0 HD12 LEU A 90 13.919 -2.060 2.857 1.00 24.42 H new ATOM 0 HD13 LEU A 90 12.157 -1.974 3.092 1.00 24.42 H new ATOM 0 HD21 LEU A 90 11.441 -2.440 0.063 1.00 35.52 H new ATOM 0 HD22 LEU A 90 10.679 -1.147 1.018 1.00 35.52 H new ATOM 0 HD23 LEU A 90 11.541 -0.751 -0.488 1.00 35.52 H new ATOM 1538 N GLU A 91 14.287 2.988 1.712 1.00 20.14 N ATOM 1539 CA GLU A 91 14.485 4.225 2.482 1.00 21.15 C ATOM 1540 C GLU A 91 14.458 5.461 1.565 1.00 43.34 C ATOM 1541 O GLU A 91 14.036 6.525 2.001 1.00 35.42 O ATOM 1542 CB GLU A 91 15.822 4.169 3.273 1.00 30.14 C ATOM 1543 CG GLU A 91 17.077 4.167 2.383 1.00 52.42 C ATOM 1544 CD GLU A 91 18.384 4.069 3.170 1.00 3.05 C ATOM 1545 OE1 GLU A 91 18.810 2.941 3.486 1.00 15.41 O ATOM 1546 OE2 GLU A 91 18.982 5.121 3.486 1.00 64.14 O ATOM 0 H GLU A 91 15.103 2.376 1.708 1.00 20.14 H new ATOM 0 HA GLU A 91 13.662 4.311 3.192 1.00 21.15 H new ATOM 0 HB2 GLU A 91 15.869 5.024 3.948 1.00 30.14 H new ATOM 0 HB3 GLU A 91 15.828 3.273 3.893 1.00 30.14 H new ATOM 0 HG2 GLU A 91 17.018 3.330 1.687 1.00 52.42 H new ATOM 0 HG3 GLU A 91 17.090 5.078 1.785 1.00 52.42 H new ATOM 1553 N GLU A 92 14.895 5.291 0.291 1.00 74.13 N ATOM 1554 CA GLU A 92 14.964 6.393 -0.685 1.00 53.52 C ATOM 1555 C GLU A 92 13.559 6.786 -1.173 1.00 33.45 C ATOM 1556 O GLU A 92 13.272 7.972 -1.349 1.00 65.14 O ATOM 1557 CB GLU A 92 15.893 6.030 -1.877 1.00 63.31 C ATOM 1558 CG GLU A 92 15.447 4.829 -2.732 1.00 64.51 C ATOM 1559 CD GLU A 92 16.449 4.481 -3.850 1.00 32.24 C ATOM 1560 OE1 GLU A 92 17.424 3.748 -3.588 1.00 43.12 O ATOM 1561 OE2 GLU A 92 16.270 4.954 -4.994 1.00 51.10 O ATOM 0 H GLU A 92 15.205 4.393 -0.079 1.00 74.13 H new ATOM 0 HA GLU A 92 15.396 7.258 -0.182 1.00 53.52 H new ATOM 0 HB2 GLU A 92 15.978 6.902 -2.525 1.00 63.31 H new ATOM 0 HB3 GLU A 92 16.890 5.824 -1.487 1.00 63.31 H new ATOM 0 HG2 GLU A 92 15.314 3.960 -2.087 1.00 64.51 H new ATOM 0 HG3 GLU A 92 14.476 5.047 -3.177 1.00 64.51 H new ATOM 1568 N PHE A 93 12.685 5.777 -1.377 1.00 14.34 N ATOM 1569 CA PHE A 93 11.286 6.011 -1.758 1.00 51.24 C ATOM 1570 C PHE A 93 10.530 6.582 -0.548 1.00 53.42 C ATOM 1571 O PHE A 93 9.885 7.617 -0.656 1.00 20.23 O ATOM 1572 CB PHE A 93 10.624 4.702 -2.272 1.00 22.33 C ATOM 1573 CG PHE A 93 9.247 4.888 -2.931 1.00 41.32 C ATOM 1574 CD1 PHE A 93 9.027 5.914 -3.860 1.00 42.32 C ATOM 1575 CD2 PHE A 93 8.181 4.039 -2.639 1.00 34.33 C ATOM 1576 CE1 PHE A 93 7.791 6.078 -4.463 1.00 34.41 C ATOM 1577 CE2 PHE A 93 6.949 4.206 -3.246 1.00 63.51 C ATOM 1578 CZ PHE A 93 6.753 5.225 -4.156 1.00 61.22 C ATOM 0 H PHE A 93 12.930 4.791 -1.282 1.00 14.34 H new ATOM 0 HA PHE A 93 11.246 6.730 -2.576 1.00 51.24 H new ATOM 0 HB2 PHE A 93 11.294 4.231 -2.991 1.00 22.33 H new ATOM 0 HB3 PHE A 93 10.520 4.012 -1.435 1.00 22.33 H new ATOM 0 HD1 PHE A 93 9.834 6.587 -4.110 1.00 42.32 H new ATOM 0 HD2 PHE A 93 8.319 3.238 -1.928 1.00 34.33 H new ATOM 0 HE1 PHE A 93 7.640 6.876 -5.175 1.00 34.41 H new ATOM 0 HE2 PHE A 93 6.137 3.536 -3.007 1.00 63.51 H new ATOM 0 HZ PHE A 93 5.789 5.354 -4.626 1.00 61.22 H new ATOM 1588 N LYS A 94 10.706 5.920 0.613 1.00 1.21 N ATOM 1589 CA LYS A 94 10.065 6.283 1.893 1.00 33.51 C ATOM 1590 C LYS A 94 10.339 7.748 2.285 1.00 60.02 C ATOM 1591 O LYS A 94 9.407 8.478 2.621 1.00 52.11 O ATOM 1592 CB LYS A 94 10.586 5.353 3.026 1.00 24.21 C ATOM 1593 CG LYS A 94 9.933 5.592 4.427 1.00 61.41 C ATOM 1594 CD LYS A 94 10.931 5.500 5.609 1.00 12.52 C ATOM 1595 CE LYS A 94 12.024 6.582 5.556 1.00 13.53 C ATOM 1596 NZ LYS A 94 12.876 6.569 6.776 1.00 4.32 N ATOM 0 H LYS A 94 11.310 5.101 0.689 1.00 1.21 H new ATOM 0 HA LYS A 94 8.990 6.161 1.761 1.00 33.51 H new ATOM 0 HB2 LYS A 94 10.414 4.317 2.733 1.00 24.21 H new ATOM 0 HB3 LYS A 94 11.664 5.484 3.117 1.00 24.21 H new ATOM 0 HG2 LYS A 94 9.465 6.576 4.436 1.00 61.41 H new ATOM 0 HG3 LYS A 94 9.139 4.860 4.577 1.00 61.41 H new ATOM 0 HD2 LYS A 94 10.384 5.589 6.548 1.00 12.52 H new ATOM 0 HD3 LYS A 94 11.400 4.516 5.606 1.00 12.52 H new ATOM 0 HE2 LYS A 94 12.648 6.426 4.676 1.00 13.53 H new ATOM 0 HE3 LYS A 94 11.560 7.562 5.448 1.00 13.53 H new ATOM 0 HZ1 LYS A 94 13.600 7.312 6.702 1.00 4.32 H new ATOM 0 HZ2 LYS A 94 12.285 6.744 7.614 1.00 4.32 H new ATOM 0 HZ3 LYS A 94 13.339 5.642 6.866 1.00 4.32 H new ATOM 1610 N ARG A 95 11.631 8.150 2.240 1.00 22.12 N ATOM 1611 CA ARG A 95 12.069 9.492 2.682 1.00 42.20 C ATOM 1612 C ARG A 95 11.472 10.604 1.802 1.00 63.20 C ATOM 1613 O ARG A 95 11.333 11.740 2.245 1.00 24.44 O ATOM 1614 CB ARG A 95 13.627 9.607 2.735 1.00 41.43 C ATOM 1615 CG ARG A 95 14.365 9.654 1.347 1.00 25.35 C ATOM 1616 CD ARG A 95 15.104 10.985 1.081 1.00 11.02 C ATOM 1617 NE ARG A 95 14.209 12.151 1.209 1.00 71.00 N ATOM 1618 CZ ARG A 95 14.155 13.196 0.365 1.00 4.22 C ATOM 1619 NH1 ARG A 95 14.948 13.267 -0.704 1.00 2.12 N ATOM 1620 NH2 ARG A 95 13.292 14.168 0.604 1.00 23.11 N ATOM 0 H ARG A 95 12.390 7.560 1.900 1.00 22.12 H new ATOM 0 HA ARG A 95 11.690 9.626 3.695 1.00 42.20 H new ATOM 0 HB2 ARG A 95 13.886 10.508 3.292 1.00 41.43 H new ATOM 0 HB3 ARG A 95 14.014 8.760 3.301 1.00 41.43 H new ATOM 0 HG2 ARG A 95 15.082 8.835 1.299 1.00 25.35 H new ATOM 0 HG3 ARG A 95 13.637 9.488 0.553 1.00 25.35 H new ATOM 0 HD2 ARG A 95 15.933 11.086 1.782 1.00 11.02 H new ATOM 0 HD3 ARG A 95 15.534 10.967 0.080 1.00 11.02 H new ATOM 0 HE ARG A 95 13.575 12.165 2.008 1.00 71.00 H new ATOM 0 HH11 ARG A 95 15.614 12.518 -0.896 1.00 2.12 H new ATOM 0 HH12 ARG A 95 14.889 14.070 -1.330 1.00 2.12 H new ATOM 0 HH21 ARG A 95 12.680 14.118 1.419 1.00 23.11 H new ATOM 0 HH22 ARG A 95 13.238 14.968 -0.026 1.00 23.11 H new ATOM 1634 N LYS A 96 11.146 10.266 0.551 1.00 42.41 N ATOM 1635 CA LYS A 96 10.425 11.169 -0.357 1.00 32.30 C ATOM 1636 C LYS A 96 8.959 11.291 0.079 1.00 62.12 C ATOM 1637 O LYS A 96 8.444 12.392 0.225 1.00 21.10 O ATOM 1638 CB LYS A 96 10.522 10.643 -1.808 1.00 34.44 C ATOM 1639 CG LYS A 96 11.944 10.717 -2.414 1.00 5.23 C ATOM 1640 CD LYS A 96 12.381 12.158 -2.751 1.00 3.43 C ATOM 1641 CE LYS A 96 11.573 12.763 -3.916 1.00 54.21 C ATOM 1642 NZ LYS A 96 11.748 11.997 -5.185 1.00 50.31 N ATOM 0 H LYS A 96 11.373 9.361 0.138 1.00 42.41 H new ATOM 0 HA LYS A 96 10.880 12.159 -0.316 1.00 32.30 H new ATOM 0 HB2 LYS A 96 10.183 9.607 -1.831 1.00 34.44 H new ATOM 0 HB3 LYS A 96 9.841 11.216 -2.437 1.00 34.44 H new ATOM 0 HG2 LYS A 96 12.655 10.282 -1.712 1.00 5.23 H new ATOM 0 HG3 LYS A 96 11.979 10.111 -3.320 1.00 5.23 H new ATOM 0 HD2 LYS A 96 12.264 12.786 -1.868 1.00 3.43 H new ATOM 0 HD3 LYS A 96 13.440 12.162 -3.007 1.00 3.43 H new ATOM 0 HE2 LYS A 96 10.516 12.784 -3.650 1.00 54.21 H new ATOM 0 HE3 LYS A 96 11.883 13.796 -4.072 1.00 54.21 H new ATOM 0 HZ1 LYS A 96 11.358 12.545 -5.978 1.00 50.31 H new ATOM 0 HZ2 LYS A 96 12.760 11.823 -5.349 1.00 50.31 H new ATOM 0 HZ3 LYS A 96 11.248 11.088 -5.114 1.00 50.31 H new ATOM 1656 N ILE A 97 8.330 10.137 0.342 1.00 40.55 N ATOM 1657 CA ILE A 97 6.892 10.034 0.648 1.00 73.05 C ATOM 1658 C ILE A 97 6.546 10.747 1.981 1.00 63.10 C ATOM 1659 O ILE A 97 5.504 11.417 2.082 1.00 64.14 O ATOM 1660 CB ILE A 97 6.459 8.516 0.655 1.00 44.22 C ATOM 1661 CG1 ILE A 97 6.803 7.843 -0.712 1.00 54.21 C ATOM 1662 CG2 ILE A 97 4.965 8.320 0.977 1.00 51.40 C ATOM 1663 CD1 ILE A 97 6.176 8.491 -1.931 1.00 32.04 C ATOM 0 H ILE A 97 8.809 9.237 0.349 1.00 40.55 H new ATOM 0 HA ILE A 97 6.325 10.546 -0.130 1.00 73.05 H new ATOM 0 HB ILE A 97 7.025 8.036 1.453 1.00 44.22 H new ATOM 0 HG12 ILE A 97 7.886 7.845 -0.837 1.00 54.21 H new ATOM 0 HG13 ILE A 97 6.489 6.800 -0.674 1.00 54.21 H new ATOM 0 HG21 ILE A 97 4.727 7.256 0.967 1.00 51.40 H new ATOM 0 HG22 ILE A 97 4.748 8.731 1.963 1.00 51.40 H new ATOM 0 HG23 ILE A 97 4.361 8.834 0.229 1.00 51.40 H new ATOM 0 HD11 ILE A 97 6.477 7.948 -2.827 1.00 32.04 H new ATOM 0 HD12 ILE A 97 5.090 8.465 -1.839 1.00 32.04 H new ATOM 0 HD13 ILE A 97 6.509 9.526 -2.005 1.00 32.04 H new ATOM 1675 N GLU A 98 7.447 10.637 2.986 1.00 41.23 N ATOM 1676 CA GLU A 98 7.300 11.352 4.270 1.00 13.14 C ATOM 1677 C GLU A 98 7.551 12.863 4.103 1.00 61.31 C ATOM 1678 O GLU A 98 6.937 13.664 4.809 1.00 3.05 O ATOM 1679 CB GLU A 98 8.189 10.708 5.388 1.00 31.12 C ATOM 1680 CG GLU A 98 9.714 10.629 5.124 1.00 3.12 C ATOM 1681 CD GLU A 98 10.532 11.817 5.669 1.00 45.30 C ATOM 1682 OE1 GLU A 98 10.906 11.803 6.854 1.00 3.30 O ATOM 1683 OE2 GLU A 98 10.816 12.762 4.921 1.00 71.41 O ATOM 0 H GLU A 98 8.284 10.058 2.929 1.00 41.23 H new ATOM 0 HA GLU A 98 6.266 11.245 4.599 1.00 13.14 H new ATOM 0 HB2 GLU A 98 8.034 11.271 6.308 1.00 31.12 H new ATOM 0 HB3 GLU A 98 7.825 9.697 5.568 1.00 31.12 H new ATOM 0 HG2 GLU A 98 10.097 9.710 5.567 1.00 3.12 H new ATOM 0 HG3 GLU A 98 9.878 10.557 4.049 1.00 3.12 H new ATOM 1690 N SER A 99 8.423 13.249 3.140 1.00 61.04 N ATOM 1691 CA SER A 99 8.643 14.673 2.787 1.00 14.13 C ATOM 1692 C SER A 99 7.409 15.261 2.066 1.00 51.13 C ATOM 1693 O SER A 99 7.191 16.472 2.095 1.00 14.53 O ATOM 1694 CB SER A 99 9.892 14.848 1.888 1.00 41.12 C ATOM 1695 OG SER A 99 11.080 14.457 2.551 1.00 3.13 O ATOM 0 H SER A 99 8.985 12.595 2.595 1.00 61.04 H new ATOM 0 HA SER A 99 8.805 15.211 3.721 1.00 14.13 H new ATOM 0 HB2 SER A 99 9.772 14.256 0.980 1.00 41.12 H new ATOM 0 HB3 SER A 99 9.974 15.890 1.580 1.00 41.12 H new ATOM 0 HG SER A 99 11.135 13.479 2.573 1.00 3.13 H new ATOM 1701 N GLN A 100 6.621 14.383 1.416 1.00 73.42 N ATOM 1702 CA GLN A 100 5.430 14.769 0.623 1.00 35.34 C ATOM 1703 C GLN A 100 4.130 14.701 1.458 1.00 31.12 C ATOM 1704 O GLN A 100 3.028 14.822 0.911 1.00 15.43 O ATOM 1705 CB GLN A 100 5.361 13.867 -0.634 1.00 34.24 C ATOM 1706 CG GLN A 100 6.572 14.047 -1.587 1.00 62.34 C ATOM 1707 CD GLN A 100 6.770 12.898 -2.565 1.00 65.25 C ATOM 1708 OE1 GLN A 100 6.398 11.759 -2.292 1.00 43.01 O ATOM 1709 NE2 GLN A 100 7.401 13.169 -3.691 1.00 20.40 N ATOM 0 H GLN A 100 6.791 13.377 1.424 1.00 73.42 H new ATOM 0 HA GLN A 100 5.526 15.810 0.314 1.00 35.34 H new ATOM 0 HB2 GLN A 100 5.306 12.824 -0.322 1.00 34.24 H new ATOM 0 HB3 GLN A 100 4.443 14.086 -1.179 1.00 34.24 H new ATOM 0 HG2 GLN A 100 6.443 14.971 -2.150 1.00 62.34 H new ATOM 0 HG3 GLN A 100 7.477 14.161 -0.990 1.00 62.34 H new ATOM 0 HE21 GLN A 100 7.698 14.124 -3.892 1.00 20.40 H new ATOM 0 HE22 GLN A 100 7.591 12.424 -4.361 1.00 20.40 H new ATOM 1718 N GLY A 101 4.276 14.509 2.788 1.00 22.34 N ATOM 1719 CA GLY A 101 3.158 14.628 3.737 1.00 30.52 C ATOM 1720 C GLY A 101 2.234 13.420 3.768 1.00 35.31 C ATOM 1721 O GLY A 101 1.069 13.536 4.161 1.00 14.21 O ATOM 0 H GLY A 101 5.166 14.270 3.226 1.00 22.34 H new ATOM 0 HA2 GLY A 101 3.561 14.789 4.737 1.00 30.52 H new ATOM 0 HA3 GLY A 101 2.573 15.512 3.483 1.00 30.52 H new ATOM 1725 N TYR A 102 2.750 12.259 3.346 1.00 64.13 N ATOM 1726 CA TYR A 102 2.021 10.979 3.427 1.00 3.52 C ATOM 1727 C TYR A 102 2.534 10.164 4.625 1.00 11.33 C ATOM 1728 O TYR A 102 3.704 10.304 5.016 1.00 24.22 O ATOM 1729 CB TYR A 102 2.222 10.148 2.142 1.00 53.24 C ATOM 1730 CG TYR A 102 1.784 10.815 0.832 1.00 63.41 C ATOM 1731 CD1 TYR A 102 0.442 11.081 0.585 1.00 52.43 C ATOM 1732 CD2 TYR A 102 2.707 11.131 -0.174 1.00 42.35 C ATOM 1733 CE1 TYR A 102 0.031 11.634 -0.605 1.00 13.33 C ATOM 1734 CE2 TYR A 102 2.297 11.696 -1.368 1.00 51.11 C ATOM 1735 CZ TYR A 102 0.956 11.941 -1.578 1.00 55.04 C ATOM 1736 OH TYR A 102 0.531 12.488 -2.767 1.00 61.42 O ATOM 0 H TYR A 102 3.682 12.176 2.939 1.00 64.13 H new ATOM 0 HA TYR A 102 0.961 11.201 3.547 1.00 3.52 H new ATOM 0 HB2 TYR A 102 3.278 9.892 2.060 1.00 53.24 H new ATOM 0 HB3 TYR A 102 1.675 9.211 2.250 1.00 53.24 H new ATOM 0 HD1 TYR A 102 -0.292 10.849 1.342 1.00 52.43 H new ATOM 0 HD2 TYR A 102 3.756 10.930 -0.014 1.00 42.35 H new ATOM 0 HE1 TYR A 102 -1.018 11.828 -0.777 1.00 13.33 H new ATOM 0 HE2 TYR A 102 3.021 11.943 -2.130 1.00 51.11 H new ATOM 0 HH TYR A 102 1.299 12.861 -3.249 1.00 61.42 H new ATOM 1746 N GLU A 103 1.658 9.328 5.215 1.00 35.10 N ATOM 1747 CA GLU A 103 2.072 8.333 6.212 1.00 21.54 C ATOM 1748 C GLU A 103 2.715 7.153 5.471 1.00 30.34 C ATOM 1749 O GLU A 103 2.093 6.552 4.592 1.00 73.54 O ATOM 1750 CB GLU A 103 0.870 7.860 7.070 1.00 4.51 C ATOM 1751 CG GLU A 103 1.181 6.696 8.046 1.00 72.32 C ATOM 1752 CD GLU A 103 2.256 7.024 9.104 1.00 15.55 C ATOM 1753 OE1 GLU A 103 1.912 7.629 10.143 1.00 33.30 O ATOM 1754 OE2 GLU A 103 3.438 6.658 8.913 1.00 41.12 O ATOM 0 H GLU A 103 0.658 9.325 5.015 1.00 35.10 H new ATOM 0 HA GLU A 103 2.791 8.780 6.898 1.00 21.54 H new ATOM 0 HB2 GLU A 103 0.498 8.707 7.646 1.00 4.51 H new ATOM 0 HB3 GLU A 103 0.066 7.550 6.403 1.00 4.51 H new ATOM 0 HG2 GLU A 103 0.261 6.410 8.556 1.00 72.32 H new ATOM 0 HG3 GLU A 103 1.508 5.831 7.469 1.00 72.32 H new ATOM 1761 N VAL A 104 3.972 6.866 5.810 1.00 10.32 N ATOM 1762 CA VAL A 104 4.759 5.811 5.166 1.00 0.42 C ATOM 1763 C VAL A 104 5.554 5.024 6.218 1.00 11.22 C ATOM 1764 O VAL A 104 6.101 5.609 7.156 1.00 14.02 O ATOM 1765 CB VAL A 104 5.706 6.413 4.071 1.00 65.33 C ATOM 1766 CG1 VAL A 104 6.655 7.483 4.648 1.00 74.50 C ATOM 1767 CG2 VAL A 104 6.478 5.307 3.321 1.00 30.12 C ATOM 0 H VAL A 104 4.477 7.362 6.544 1.00 10.32 H new ATOM 0 HA VAL A 104 4.077 5.121 4.669 1.00 0.42 H new ATOM 0 HB VAL A 104 5.071 6.918 3.343 1.00 65.33 H new ATOM 0 HG11 VAL A 104 7.292 7.871 3.853 1.00 74.50 H new ATOM 0 HG12 VAL A 104 6.069 8.297 5.074 1.00 74.50 H new ATOM 0 HG13 VAL A 104 7.276 7.038 5.425 1.00 74.50 H new ATOM 0 HG21 VAL A 104 7.125 5.760 2.570 1.00 30.12 H new ATOM 0 HG22 VAL A 104 7.085 4.743 4.029 1.00 30.12 H new ATOM 0 HG23 VAL A 104 5.771 4.636 2.834 1.00 30.12 H new ATOM 1777 N ARG A 105 5.602 3.696 6.055 1.00 2.31 N ATOM 1778 CA ARG A 105 6.297 2.784 6.970 1.00 53.23 C ATOM 1779 C ARG A 105 7.227 1.868 6.158 1.00 34.22 C ATOM 1780 O ARG A 105 6.777 1.178 5.239 1.00 21.14 O ATOM 1781 CB ARG A 105 5.274 1.937 7.779 1.00 41.31 C ATOM 1782 CG ARG A 105 4.323 2.742 8.699 1.00 34.15 C ATOM 1783 CD ARG A 105 5.066 3.567 9.765 1.00 31.13 C ATOM 1784 NE ARG A 105 5.936 2.735 10.621 1.00 54.41 N ATOM 1785 CZ ARG A 105 6.670 3.181 11.656 1.00 14.24 C ATOM 1786 NH1 ARG A 105 6.665 4.468 12.012 1.00 23.21 N ATOM 1787 NH2 ARG A 105 7.417 2.325 12.342 1.00 60.22 N ATOM 0 H ARG A 105 5.153 3.219 5.273 1.00 2.31 H new ATOM 0 HA ARG A 105 6.887 3.366 7.678 1.00 53.23 H new ATOM 0 HB2 ARG A 105 4.671 1.360 7.078 1.00 41.31 H new ATOM 0 HB3 ARG A 105 5.824 1.222 8.391 1.00 41.31 H new ATOM 0 HG2 ARG A 105 3.717 3.411 8.088 1.00 34.15 H new ATOM 0 HG3 ARG A 105 3.638 2.054 9.194 1.00 34.15 H new ATOM 0 HD2 ARG A 105 5.669 4.331 9.273 1.00 31.13 H new ATOM 0 HD3 ARG A 105 4.339 4.087 10.389 1.00 31.13 H new ATOM 0 HE ARG A 105 5.984 1.738 10.409 1.00 54.41 H new ATOM 0 HH11 ARG A 105 6.096 5.138 11.495 1.00 23.21 H new ATOM 0 HH12 ARG A 105 7.231 4.781 12.801 1.00 23.21 H new ATOM 0 HH21 ARG A 105 7.431 1.339 12.083 1.00 60.22 H new ATOM 0 HH22 ARG A 105 7.977 2.654 13.129 1.00 60.22 H new ATOM 1801 N LYS A 106 8.519 1.887 6.493 1.00 53.11 N ATOM 1802 CA LYS A 106 9.544 1.042 5.867 1.00 50.20 C ATOM 1803 C LYS A 106 9.899 -0.097 6.821 1.00 10.35 C ATOM 1804 O LYS A 106 10.260 0.141 7.977 1.00 52.43 O ATOM 1805 CB LYS A 106 10.797 1.905 5.519 1.00 23.12 C ATOM 1806 CG LYS A 106 12.007 1.170 4.858 1.00 41.44 C ATOM 1807 CD LYS A 106 12.980 0.479 5.853 1.00 60.21 C ATOM 1808 CE LYS A 106 13.644 1.468 6.824 1.00 54.05 C ATOM 1809 NZ LYS A 106 14.401 0.776 7.905 1.00 35.21 N ATOM 0 H LYS A 106 8.891 2.500 7.219 1.00 53.11 H new ATOM 0 HA LYS A 106 9.166 0.613 4.939 1.00 50.20 H new ATOM 0 HB2 LYS A 106 10.481 2.705 4.850 1.00 23.12 H new ATOM 0 HB3 LYS A 106 11.148 2.377 6.437 1.00 23.12 H new ATOM 0 HG2 LYS A 106 11.623 0.419 4.168 1.00 41.44 H new ATOM 0 HG3 LYS A 106 12.570 1.890 4.264 1.00 41.44 H new ATOM 0 HD2 LYS A 106 12.435 -0.272 6.424 1.00 60.21 H new ATOM 0 HD3 LYS A 106 13.753 -0.046 5.292 1.00 60.21 H new ATOM 0 HE2 LYS A 106 14.320 2.120 6.270 1.00 54.05 H new ATOM 0 HE3 LYS A 106 12.880 2.105 7.269 1.00 54.05 H new ATOM 0 HZ1 LYS A 106 14.887 1.481 8.495 1.00 35.21 H new ATOM 0 HZ2 LYS A 106 13.742 0.227 8.493 1.00 35.21 H new ATOM 0 HZ3 LYS A 106 15.103 0.136 7.482 1.00 35.21 H new ATOM 1823 N VAL A 107 9.820 -1.326 6.317 1.00 60.42 N ATOM 1824 CA VAL A 107 10.273 -2.534 7.022 1.00 22.22 C ATOM 1825 C VAL A 107 11.175 -3.341 6.080 1.00 73.32 C ATOM 1826 O VAL A 107 11.392 -2.951 4.934 1.00 72.11 O ATOM 1827 CB VAL A 107 9.070 -3.421 7.530 1.00 63.04 C ATOM 1828 CG1 VAL A 107 8.250 -2.690 8.598 1.00 34.14 C ATOM 1829 CG2 VAL A 107 8.168 -3.871 6.370 1.00 75.10 C ATOM 0 H VAL A 107 9.434 -1.519 5.393 1.00 60.42 H new ATOM 0 HA VAL A 107 10.827 -2.228 7.909 1.00 22.22 H new ATOM 0 HB VAL A 107 9.501 -4.313 7.984 1.00 63.04 H new ATOM 0 HG11 VAL A 107 7.430 -3.328 8.927 1.00 34.14 H new ATOM 0 HG12 VAL A 107 8.889 -2.454 9.449 1.00 34.14 H new ATOM 0 HG13 VAL A 107 7.847 -1.768 8.179 1.00 34.14 H new ATOM 0 HG21 VAL A 107 7.351 -4.479 6.759 1.00 75.10 H new ATOM 0 HG22 VAL A 107 7.760 -2.995 5.866 1.00 75.10 H new ATOM 0 HG23 VAL A 107 8.752 -4.458 5.661 1.00 75.10 H new ATOM 1839 N THR A 108 11.689 -4.462 6.573 1.00 73.41 N ATOM 1840 CA THR A 108 12.550 -5.372 5.799 1.00 73.44 C ATOM 1841 C THR A 108 12.126 -6.818 6.083 1.00 75.12 C ATOM 1842 O THR A 108 12.081 -7.657 5.179 1.00 33.22 O ATOM 1843 CB THR A 108 14.063 -5.149 6.143 1.00 11.01 C ATOM 1844 OG1 THR A 108 14.392 -3.751 5.986 1.00 2.32 O ATOM 1845 CG2 THR A 108 15.004 -5.987 5.252 1.00 65.32 C ATOM 0 H THR A 108 11.523 -4.775 7.530 1.00 73.41 H new ATOM 0 HA THR A 108 12.431 -5.163 4.736 1.00 73.44 H new ATOM 0 HB THR A 108 14.208 -5.471 7.174 1.00 11.01 H new ATOM 0 HG1 THR A 108 15.337 -3.611 6.203 1.00 2.32 H new ATOM 0 HG21 THR A 108 16.039 -5.794 5.533 1.00 65.32 H new ATOM 0 HG22 THR A 108 14.783 -7.046 5.385 1.00 65.32 H new ATOM 0 HG23 THR A 108 14.855 -5.714 4.207 1.00 65.32 H new ATOM 1853 N ASP A 109 11.778 -7.081 7.356 1.00 20.43 N ATOM 1854 CA ASP A 109 11.272 -8.386 7.799 1.00 44.51 C ATOM 1855 C ASP A 109 9.843 -8.592 7.278 1.00 65.21 C ATOM 1856 O ASP A 109 9.020 -7.662 7.319 1.00 3.12 O ATOM 1857 CB ASP A 109 11.278 -8.479 9.345 1.00 33.21 C ATOM 1858 CG ASP A 109 12.673 -8.339 9.969 1.00 42.52 C ATOM 1859 OD1 ASP A 109 13.376 -9.356 10.126 1.00 52.32 O ATOM 1860 OD2 ASP A 109 13.077 -7.204 10.295 1.00 74.51 O ATOM 0 H ASP A 109 11.841 -6.391 8.105 1.00 20.43 H new ATOM 0 HA ASP A 109 11.924 -9.163 7.400 1.00 44.51 H new ATOM 0 HB2 ASP A 109 10.630 -7.701 9.749 1.00 33.21 H new ATOM 0 HB3 ASP A 109 10.851 -9.436 9.644 1.00 33.21 H new ATOM 1865 N ASP A 110 9.579 -9.813 6.793 1.00 54.50 N ATOM 1866 CA ASP A 110 8.247 -10.262 6.335 1.00 61.02 C ATOM 1867 C ASP A 110 7.213 -10.185 7.478 1.00 42.33 C ATOM 1868 O ASP A 110 6.044 -9.841 7.258 1.00 2.22 O ATOM 1869 CB ASP A 110 8.333 -11.721 5.806 1.00 44.31 C ATOM 1870 CG ASP A 110 9.317 -11.890 4.634 1.00 41.52 C ATOM 1871 OD1 ASP A 110 10.528 -12.048 4.892 1.00 40.25 O ATOM 1872 OD2 ASP A 110 8.887 -11.871 3.457 1.00 5.45 O ATOM 0 H ASP A 110 10.295 -10.534 6.704 1.00 54.50 H new ATOM 0 HA ASP A 110 7.923 -9.600 5.532 1.00 61.02 H new ATOM 0 HB2 ASP A 110 8.635 -12.378 6.622 1.00 44.31 H new ATOM 0 HB3 ASP A 110 7.342 -12.043 5.488 1.00 44.31 H new ATOM 1877 N GLU A 111 7.682 -10.501 8.703 1.00 63.20 N ATOM 1878 CA GLU A 111 6.869 -10.459 9.927 1.00 22.54 C ATOM 1879 C GLU A 111 6.438 -9.012 10.250 1.00 50.31 C ATOM 1880 O GLU A 111 5.261 -8.765 10.519 1.00 43.54 O ATOM 1881 CB GLU A 111 7.642 -11.107 11.120 1.00 1.41 C ATOM 1882 CG GLU A 111 8.999 -10.443 11.461 1.00 14.32 C ATOM 1883 CD GLU A 111 9.736 -11.109 12.634 1.00 13.24 C ATOM 1884 OE1 GLU A 111 9.321 -10.904 13.797 1.00 42.23 O ATOM 1885 OE2 GLU A 111 10.710 -11.855 12.401 1.00 74.22 O ATOM 0 H GLU A 111 8.645 -10.795 8.867 1.00 63.20 H new ATOM 0 HA GLU A 111 5.963 -11.041 9.762 1.00 22.54 H new ATOM 0 HB2 GLU A 111 7.007 -11.075 12.005 1.00 1.41 H new ATOM 0 HB3 GLU A 111 7.817 -12.158 10.891 1.00 1.41 H new ATOM 0 HG2 GLU A 111 9.639 -10.471 10.579 1.00 14.32 H new ATOM 0 HG3 GLU A 111 8.830 -9.393 11.699 1.00 14.32 H new ATOM 1892 N GLU A 112 7.389 -8.054 10.152 1.00 43.04 N ATOM 1893 CA GLU A 112 7.128 -6.635 10.473 1.00 2.40 C ATOM 1894 C GLU A 112 6.209 -5.987 9.418 1.00 14.10 C ATOM 1895 O GLU A 112 5.516 -5.012 9.716 1.00 13.12 O ATOM 1896 CB GLU A 112 8.453 -5.840 10.632 1.00 44.11 C ATOM 1897 CG GLU A 112 9.360 -6.331 11.788 1.00 1.22 C ATOM 1898 CD GLU A 112 8.654 -6.355 13.160 1.00 21.12 C ATOM 1899 OE1 GLU A 112 8.455 -5.269 13.756 1.00 63.40 O ATOM 1900 OE2 GLU A 112 8.284 -7.453 13.637 1.00 23.51 O ATOM 0 H GLU A 112 8.346 -8.241 9.852 1.00 43.04 H new ATOM 0 HA GLU A 112 6.608 -6.601 11.431 1.00 2.40 H new ATOM 0 HB2 GLU A 112 9.012 -5.899 9.698 1.00 44.11 H new ATOM 0 HB3 GLU A 112 8.214 -4.789 10.795 1.00 44.11 H new ATOM 0 HG2 GLU A 112 9.719 -7.334 11.556 1.00 1.22 H new ATOM 0 HG3 GLU A 112 10.236 -5.685 11.851 1.00 1.22 H new ATOM 1907 N ALA A 113 6.195 -6.556 8.197 1.00 63.15 N ATOM 1908 CA ALA A 113 5.268 -6.136 7.130 1.00 72.51 C ATOM 1909 C ALA A 113 3.816 -6.511 7.496 1.00 24.44 C ATOM 1910 O ALA A 113 2.917 -5.668 7.430 1.00 12.22 O ATOM 1911 CB ALA A 113 5.689 -6.747 5.785 1.00 53.13 C ATOM 0 H ALA A 113 6.821 -7.314 7.925 1.00 63.15 H new ATOM 0 HA ALA A 113 5.312 -5.051 7.030 1.00 72.51 H new ATOM 0 HB1 ALA A 113 4.995 -6.428 5.007 1.00 53.13 H new ATOM 0 HB2 ALA A 113 6.695 -6.413 5.533 1.00 53.13 H new ATOM 0 HB3 ALA A 113 5.676 -7.834 5.859 1.00 53.13 H new ATOM 1917 N LEU A 114 3.624 -7.771 7.951 1.00 21.20 N ATOM 1918 CA LEU A 114 2.303 -8.288 8.390 1.00 34.42 C ATOM 1919 C LEU A 114 1.825 -7.580 9.676 1.00 54.45 C ATOM 1920 O LEU A 114 0.622 -7.419 9.907 1.00 31.35 O ATOM 1921 CB LEU A 114 2.379 -9.819 8.642 1.00 74.13 C ATOM 1922 CG LEU A 114 2.812 -10.698 7.431 1.00 31.13 C ATOM 1923 CD1 LEU A 114 2.840 -12.192 7.813 1.00 1.24 C ATOM 1924 CD2 LEU A 114 1.916 -10.449 6.202 1.00 5.01 C ATOM 0 H LEU A 114 4.376 -8.457 8.025 1.00 21.20 H new ATOM 0 HA LEU A 114 1.587 -8.084 7.594 1.00 34.42 H new ATOM 0 HB2 LEU A 114 3.077 -9.997 9.460 1.00 74.13 H new ATOM 0 HB3 LEU A 114 1.400 -10.159 8.979 1.00 74.13 H new ATOM 0 HG LEU A 114 3.826 -10.405 7.157 1.00 31.13 H new ATOM 0 HD11 LEU A 114 3.145 -12.783 6.949 1.00 1.24 H new ATOM 0 HD12 LEU A 114 3.548 -12.346 8.627 1.00 1.24 H new ATOM 0 HD13 LEU A 114 1.846 -12.504 8.133 1.00 1.24 H new ATOM 0 HD21 LEU A 114 2.247 -11.079 5.377 1.00 5.01 H new ATOM 0 HD22 LEU A 114 0.882 -10.690 6.450 1.00 5.01 H new ATOM 0 HD23 LEU A 114 1.984 -9.401 5.909 1.00 5.01 H new ATOM 1936 N LYS A 115 2.796 -7.160 10.494 1.00 61.22 N ATOM 1937 CA LYS A 115 2.561 -6.528 11.802 1.00 70.55 C ATOM 1938 C LYS A 115 1.985 -5.106 11.634 1.00 72.04 C ATOM 1939 O LYS A 115 1.096 -4.687 12.389 1.00 41.52 O ATOM 1940 CB LYS A 115 3.902 -6.511 12.577 1.00 24.20 C ATOM 1941 CG LYS A 115 3.839 -5.984 14.023 1.00 52.31 C ATOM 1942 CD LYS A 115 5.214 -6.087 14.722 1.00 20.10 C ATOM 1943 CE LYS A 115 5.247 -5.419 16.100 1.00 72.43 C ATOM 1944 NZ LYS A 115 6.616 -5.441 16.680 1.00 43.23 N ATOM 0 H LYS A 115 3.786 -7.250 10.264 1.00 61.22 H new ATOM 0 HA LYS A 115 1.822 -7.098 12.365 1.00 70.55 H new ATOM 0 HB2 LYS A 115 4.300 -7.526 12.598 1.00 24.20 H new ATOM 0 HB3 LYS A 115 4.613 -5.901 12.020 1.00 24.20 H new ATOM 0 HG2 LYS A 115 3.508 -4.945 14.019 1.00 52.31 H new ATOM 0 HG3 LYS A 115 3.099 -6.552 14.587 1.00 52.31 H new ATOM 0 HD2 LYS A 115 5.481 -7.138 14.830 1.00 20.10 H new ATOM 0 HD3 LYS A 115 5.972 -5.629 14.086 1.00 20.10 H new ATOM 0 HE2 LYS A 115 4.903 -4.388 16.015 1.00 72.43 H new ATOM 0 HE3 LYS A 115 4.557 -5.931 16.771 1.00 72.43 H new ATOM 0 HZ1 LYS A 115 6.605 -4.981 17.613 1.00 43.23 H new ATOM 0 HZ2 LYS A 115 6.934 -6.426 16.783 1.00 43.23 H new ATOM 0 HZ3 LYS A 115 7.268 -4.931 16.050 1.00 43.23 H new ATOM 1958 N ILE A 116 2.490 -4.389 10.612 1.00 1.42 N ATOM 1959 CA ILE A 116 2.046 -3.019 10.278 1.00 42.52 C ATOM 1960 C ILE A 116 0.702 -3.030 9.499 1.00 43.23 C ATOM 1961 O ILE A 116 -0.026 -2.026 9.509 1.00 23.41 O ATOM 1962 CB ILE A 116 3.179 -2.197 9.543 1.00 41.53 C ATOM 1963 CG1 ILE A 116 4.419 -2.057 10.489 1.00 12.40 C ATOM 1964 CG2 ILE A 116 2.685 -0.799 9.082 1.00 32.11 C ATOM 1965 CD1 ILE A 116 5.503 -1.112 10.004 1.00 25.04 C ATOM 0 H ILE A 116 3.219 -4.743 9.992 1.00 1.42 H new ATOM 0 HA ILE A 116 1.854 -2.496 11.215 1.00 42.52 H new ATOM 0 HB ILE A 116 3.462 -2.744 8.644 1.00 41.53 H new ATOM 0 HG12 ILE A 116 4.074 -1.717 11.465 1.00 12.40 H new ATOM 0 HG13 ILE A 116 4.858 -3.044 10.633 1.00 12.40 H new ATOM 0 HG21 ILE A 116 3.498 -0.272 8.583 1.00 32.11 H new ATOM 0 HG22 ILE A 116 1.851 -0.918 8.391 1.00 32.11 H new ATOM 0 HG23 ILE A 116 2.359 -0.224 9.949 1.00 32.11 H new ATOM 0 HD11 ILE A 116 6.315 -1.087 10.730 1.00 25.04 H new ATOM 0 HD12 ILE A 116 5.885 -1.459 9.044 1.00 25.04 H new ATOM 0 HD13 ILE A 116 5.088 -0.111 9.889 1.00 25.04 H new ATOM 1977 N VAL A 117 0.365 -4.162 8.833 1.00 13.52 N ATOM 1978 CA VAL A 117 -1.012 -4.394 8.311 1.00 31.21 C ATOM 1979 C VAL A 117 -2.058 -4.141 9.441 1.00 64.32 C ATOM 1980 O VAL A 117 -3.074 -3.485 9.210 1.00 1.44 O ATOM 1981 CB VAL A 117 -1.194 -5.847 7.705 1.00 31.34 C ATOM 1982 CG1 VAL A 117 -2.659 -6.126 7.272 1.00 52.12 C ATOM 1983 CG2 VAL A 117 -0.222 -6.074 6.519 1.00 15.23 C ATOM 0 H VAL A 117 1.017 -4.923 8.644 1.00 13.52 H new ATOM 0 HA VAL A 117 -1.175 -3.689 7.496 1.00 31.21 H new ATOM 0 HB VAL A 117 -0.953 -6.555 8.498 1.00 31.34 H new ATOM 0 HG11 VAL A 117 -2.732 -7.134 6.863 1.00 52.12 H new ATOM 0 HG12 VAL A 117 -3.317 -6.036 8.136 1.00 52.12 H new ATOM 0 HG13 VAL A 117 -2.958 -5.404 6.512 1.00 52.12 H new ATOM 0 HG21 VAL A 117 -0.365 -7.078 6.119 1.00 15.23 H new ATOM 0 HG22 VAL A 117 -0.423 -5.340 5.738 1.00 15.23 H new ATOM 0 HG23 VAL A 117 0.806 -5.964 6.865 1.00 15.23 H new ATOM 1993 N ARG A 118 -1.735 -4.598 10.680 1.00 65.34 N ATOM 1994 CA ARG A 118 -2.585 -4.373 11.878 1.00 22.22 C ATOM 1995 C ARG A 118 -2.550 -2.894 12.317 1.00 5.41 C ATOM 1996 O ARG A 118 -3.589 -2.326 12.673 1.00 72.51 O ATOM 1997 CB ARG A 118 -2.148 -5.263 13.073 1.00 32.21 C ATOM 1998 CG ARG A 118 -2.173 -6.781 12.807 1.00 1.43 C ATOM 1999 CD ARG A 118 -1.963 -7.604 14.096 1.00 14.25 C ATOM 2000 NE ARG A 118 -0.699 -7.265 14.786 1.00 51.54 N ATOM 2001 CZ ARG A 118 -0.315 -7.757 15.985 1.00 74.03 C ATOM 2002 NH1 ARG A 118 -1.077 -8.614 16.655 1.00 5.10 N ATOM 2003 NH2 ARG A 118 0.840 -7.374 16.512 1.00 14.43 N ATOM 0 H ARG A 118 -0.886 -5.128 10.875 1.00 65.34 H new ATOM 0 HA ARG A 118 -3.601 -4.644 11.591 1.00 22.22 H new ATOM 0 HB2 ARG A 118 -1.137 -4.979 13.366 1.00 32.21 H new ATOM 0 HB3 ARG A 118 -2.798 -5.049 13.921 1.00 32.21 H new ATOM 0 HG2 ARG A 118 -3.127 -7.053 12.356 1.00 1.43 H new ATOM 0 HG3 ARG A 118 -1.396 -7.034 12.086 1.00 1.43 H new ATOM 0 HD2 ARG A 118 -2.800 -7.432 14.773 1.00 14.25 H new ATOM 0 HD3 ARG A 118 -1.965 -8.666 13.849 1.00 14.25 H new ATOM 0 HE ARG A 118 -0.070 -6.610 14.322 1.00 51.54 H new ATOM 0 HH11 ARG A 118 -1.971 -8.913 16.266 1.00 5.10 H new ATOM 0 HH12 ARG A 118 -0.768 -8.973 17.558 1.00 5.10 H new ATOM 0 HH21 ARG A 118 1.434 -6.711 16.013 1.00 14.43 H new ATOM 0 HH22 ARG A 118 1.135 -7.742 17.416 1.00 14.43 H new ATOM 2017 N GLU A 119 -1.340 -2.291 12.298 1.00 32.45 N ATOM 2018 CA GLU A 119 -1.115 -0.872 12.664 1.00 53.10 C ATOM 2019 C GLU A 119 -2.018 0.073 11.838 1.00 73.04 C ATOM 2020 O GLU A 119 -2.567 1.039 12.371 1.00 2.05 O ATOM 2021 CB GLU A 119 0.385 -0.516 12.471 1.00 22.40 C ATOM 2022 CG GLU A 119 0.760 0.974 12.667 1.00 45.52 C ATOM 2023 CD GLU A 119 0.436 1.532 14.070 1.00 53.44 C ATOM 2024 OE1 GLU A 119 1.135 1.163 15.040 1.00 33.50 O ATOM 2025 OE2 GLU A 119 -0.495 2.359 14.207 1.00 31.34 O ATOM 0 H GLU A 119 -0.486 -2.778 12.027 1.00 32.45 H new ATOM 0 HA GLU A 119 -1.381 -0.737 13.712 1.00 53.10 H new ATOM 0 HB2 GLU A 119 0.972 -1.113 13.169 1.00 22.40 H new ATOM 0 HB3 GLU A 119 0.683 -0.816 11.466 1.00 22.40 H new ATOM 0 HG2 GLU A 119 1.827 1.096 12.478 1.00 45.52 H new ATOM 0 HG3 GLU A 119 0.234 1.570 11.921 1.00 45.52 H new ATOM 2032 N PHE A 120 -2.162 -0.227 10.534 1.00 72.04 N ATOM 2033 CA PHE A 120 -3.095 0.485 9.644 1.00 35.24 C ATOM 2034 C PHE A 120 -4.540 0.400 10.165 1.00 53.22 C ATOM 2035 O PHE A 120 -5.233 1.402 10.192 1.00 2.44 O ATOM 2036 CB PHE A 120 -3.023 -0.080 8.199 1.00 61.22 C ATOM 2037 CG PHE A 120 -4.074 0.509 7.242 1.00 73.00 C ATOM 2038 CD1 PHE A 120 -3.958 1.819 6.773 1.00 33.42 C ATOM 2039 CD2 PHE A 120 -5.192 -0.235 6.841 1.00 63.13 C ATOM 2040 CE1 PHE A 120 -4.915 2.360 5.933 1.00 54.01 C ATOM 2041 CE2 PHE A 120 -6.150 0.314 6.006 1.00 55.35 C ATOM 2042 CZ PHE A 120 -6.010 1.605 5.549 1.00 11.41 C ATOM 0 H PHE A 120 -1.636 -0.968 10.070 1.00 72.04 H new ATOM 0 HA PHE A 120 -2.794 1.532 9.629 1.00 35.24 H new ATOM 0 HB2 PHE A 120 -2.030 0.113 7.794 1.00 61.22 H new ATOM 0 HB3 PHE A 120 -3.147 -1.162 8.237 1.00 61.22 H new ATOM 0 HD1 PHE A 120 -3.110 2.418 7.070 1.00 33.42 H new ATOM 0 HD2 PHE A 120 -5.308 -1.251 7.188 1.00 63.13 H new ATOM 0 HE1 PHE A 120 -4.808 3.374 5.576 1.00 54.01 H new ATOM 0 HE2 PHE A 120 -7.009 -0.272 5.713 1.00 55.35 H new ATOM 0 HZ PHE A 120 -6.754 2.029 4.891 1.00 11.41 H new ATOM 2052 N MET A 121 -4.963 -0.804 10.578 1.00 21.31 N ATOM 2053 CA MET A 121 -6.373 -1.081 10.956 1.00 5.22 C ATOM 2054 C MET A 121 -6.855 -0.231 12.160 1.00 40.45 C ATOM 2055 O MET A 121 -8.063 -0.060 12.343 1.00 25.23 O ATOM 2056 CB MET A 121 -6.576 -2.594 11.234 1.00 51.35 C ATOM 2057 CG MET A 121 -6.090 -3.500 10.092 1.00 60.54 C ATOM 2058 SD MET A 121 -6.768 -3.023 8.489 1.00 54.00 S ATOM 2059 CE MET A 121 -5.782 -3.973 7.327 1.00 33.13 C ATOM 0 H MET A 121 -4.349 -1.614 10.662 1.00 21.31 H new ATOM 0 HA MET A 121 -6.989 -0.789 10.105 1.00 5.22 H new ATOM 0 HB2 MET A 121 -6.047 -2.861 12.149 1.00 51.35 H new ATOM 0 HB3 MET A 121 -7.635 -2.783 11.411 1.00 51.35 H new ATOM 0 HG2 MET A 121 -5.001 -3.467 10.046 1.00 60.54 H new ATOM 0 HG3 MET A 121 -6.369 -4.531 10.308 1.00 60.54 H new ATOM 0 HE1 MET A 121 -5.331 -3.300 6.597 1.00 33.13 H new ATOM 0 HE2 MET A 121 -4.996 -4.503 7.865 1.00 33.13 H new ATOM 0 HE3 MET A 121 -6.419 -4.693 6.813 1.00 33.13 H new ATOM 2069 N GLN A 122 -5.914 0.283 12.987 1.00 63.01 N ATOM 2070 CA GLN A 122 -6.242 1.252 14.063 1.00 14.33 C ATOM 2071 C GLN A 122 -6.014 2.707 13.587 1.00 72.41 C ATOM 2072 O GLN A 122 -6.820 3.597 13.887 1.00 21.23 O ATOM 2073 CB GLN A 122 -5.425 0.965 15.362 1.00 43.40 C ATOM 2074 CG GLN A 122 -3.893 1.030 15.216 1.00 70.00 C ATOM 2075 CD GLN A 122 -3.148 0.807 16.536 1.00 14.10 C ATOM 2076 OE1 GLN A 122 -2.810 -0.324 16.896 1.00 31.21 O ATOM 2077 NE2 GLN A 122 -2.890 1.881 17.269 1.00 73.14 N ATOM 0 H GLN A 122 -4.924 0.044 12.931 1.00 63.01 H new ATOM 0 HA GLN A 122 -7.299 1.129 14.300 1.00 14.33 H new ATOM 0 HB2 GLN A 122 -5.729 1.680 16.126 1.00 43.40 H new ATOM 0 HB3 GLN A 122 -5.695 -0.026 15.727 1.00 43.40 H new ATOM 0 HG2 GLN A 122 -3.572 0.279 14.494 1.00 70.00 H new ATOM 0 HG3 GLN A 122 -3.615 2.002 14.810 1.00 70.00 H new ATOM 0 HE21 GLN A 122 -3.182 2.803 16.944 1.00 73.14 H new ATOM 0 HE22 GLN A 122 -2.399 1.786 18.158 1.00 73.14 H new ATOM 2086 N LYS A 123 -4.925 2.924 12.808 1.00 54.33 N ATOM 2087 CA LYS A 123 -4.495 4.270 12.354 1.00 35.34 C ATOM 2088 C LYS A 123 -5.466 4.868 11.325 1.00 61.11 C ATOM 2089 O LYS A 123 -5.597 6.096 11.210 1.00 12.13 O ATOM 2090 CB LYS A 123 -3.056 4.202 11.769 1.00 61.40 C ATOM 2091 CG LYS A 123 -2.471 5.571 11.330 1.00 43.10 C ATOM 2092 CD LYS A 123 -1.090 5.443 10.660 1.00 74.21 C ATOM 2093 CE LYS A 123 0.044 5.079 11.633 1.00 51.21 C ATOM 2094 NZ LYS A 123 0.418 6.230 12.502 1.00 4.20 N ATOM 0 H LYS A 123 -4.321 2.172 12.477 1.00 54.33 H new ATOM 0 HA LYS A 123 -4.499 4.929 13.223 1.00 35.34 H new ATOM 0 HB2 LYS A 123 -2.395 3.762 12.516 1.00 61.40 H new ATOM 0 HB3 LYS A 123 -3.058 3.531 10.910 1.00 61.40 H new ATOM 0 HG2 LYS A 123 -3.162 6.051 10.638 1.00 43.10 H new ATOM 0 HG3 LYS A 123 -2.388 6.222 12.201 1.00 43.10 H new ATOM 0 HD2 LYS A 123 -1.144 4.683 9.880 1.00 74.21 H new ATOM 0 HD3 LYS A 123 -0.846 6.386 10.170 1.00 74.21 H new ATOM 0 HE2 LYS A 123 -0.266 4.240 12.255 1.00 51.21 H new ATOM 0 HE3 LYS A 123 0.917 4.751 11.068 1.00 51.21 H new ATOM 0 HZ1 LYS A 123 1.046 5.901 13.262 1.00 4.20 H new ATOM 0 HZ2 LYS A 123 0.909 6.949 11.933 1.00 4.20 H new ATOM 0 HZ3 LYS A 123 -0.441 6.645 12.918 1.00 4.20 H new ATOM 2108 N ALA A 124 -6.159 3.982 10.615 1.00 71.43 N ATOM 2109 CA ALA A 124 -7.020 4.339 9.499 1.00 43.14 C ATOM 2110 C ALA A 124 -8.317 4.992 10.000 1.00 64.44 C ATOM 2111 O ALA A 124 -8.582 6.164 9.698 1.00 71.41 O ATOM 2112 CB ALA A 124 -7.313 3.091 8.668 1.00 61.25 C ATOM 0 H ALA A 124 -6.135 2.980 10.805 1.00 71.43 H new ATOM 0 HA ALA A 124 -6.511 5.069 8.869 1.00 43.14 H new ATOM 0 HB1 ALA A 124 -7.958 3.355 7.830 1.00 61.25 H new ATOM 0 HB2 ALA A 124 -6.378 2.678 8.290 1.00 61.25 H new ATOM 0 HB3 ALA A 124 -7.812 2.348 9.290 1.00 61.25 H new ATOM 2118 N GLY A 125 -9.094 4.226 10.792 1.00 52.33 N ATOM 2119 CA GLY A 125 -10.380 4.691 11.308 1.00 15.31 C ATOM 2120 C GLY A 125 -10.231 5.859 12.273 1.00 3.13 C ATOM 2121 O GLY A 125 -10.561 6.998 11.931 1.00 62.13 O ATOM 0 H GLY A 125 -8.845 3.281 11.084 1.00 52.33 H new ATOM 0 HA2 GLY A 125 -11.016 4.991 10.475 1.00 15.31 H new ATOM 0 HA3 GLY A 125 -10.884 3.868 11.814 1.00 15.31 H new ATOM 2125 N SER A 126 -9.666 5.578 13.456 1.00 12.03 N ATOM 2126 CA SER A 126 -9.520 6.566 14.531 1.00 52.52 C ATOM 2127 C SER A 126 -8.245 6.275 15.340 1.00 21.32 C ATOM 2128 O SER A 126 -8.178 5.289 16.083 1.00 25.31 O ATOM 2129 CB SER A 126 -10.769 6.545 15.446 1.00 61.35 C ATOM 2130 OG SER A 126 -10.697 7.540 16.464 1.00 23.12 O ATOM 0 H SER A 126 -9.297 4.657 13.693 1.00 12.03 H new ATOM 0 HA SER A 126 -9.433 7.561 14.094 1.00 52.52 H new ATOM 0 HB2 SER A 126 -11.663 6.705 14.844 1.00 61.35 H new ATOM 0 HB3 SER A 126 -10.866 5.561 15.906 1.00 61.35 H new ATOM 0 HG SER A 126 -11.503 7.498 17.020 1.00 23.12 H new ATOM 2136 N LEU A 127 -7.232 7.130 15.142 1.00 42.25 N ATOM 2137 CA LEU A 127 -5.986 7.130 15.918 1.00 31.52 C ATOM 2138 C LEU A 127 -5.401 8.540 15.826 1.00 41.50 C ATOM 2139 O LEU A 127 -4.859 8.932 14.776 1.00 71.23 O ATOM 2140 CB LEU A 127 -4.972 6.085 15.381 1.00 52.03 C ATOM 2141 CG LEU A 127 -3.654 5.900 16.209 1.00 30.33 C ATOM 2142 CD1 LEU A 127 -3.936 5.252 17.577 1.00 12.41 C ATOM 2143 CD2 LEU A 127 -2.602 5.096 15.410 1.00 14.23 C ATOM 0 H LEU A 127 -7.257 7.854 14.424 1.00 42.25 H new ATOM 0 HA LEU A 127 -6.193 6.855 16.952 1.00 31.52 H new ATOM 0 HB2 LEU A 127 -5.476 5.120 15.321 1.00 52.03 H new ATOM 0 HB3 LEU A 127 -4.699 6.366 14.364 1.00 52.03 H new ATOM 0 HG LEU A 127 -3.240 6.891 16.397 1.00 30.33 H new ATOM 0 HD11 LEU A 127 -3.001 5.138 18.125 1.00 12.41 H new ATOM 0 HD12 LEU A 127 -4.616 5.886 18.147 1.00 12.41 H new ATOM 0 HD13 LEU A 127 -4.391 4.273 17.429 1.00 12.41 H new ATOM 0 HD21 LEU A 127 -1.698 4.983 16.009 1.00 14.23 H new ATOM 0 HD22 LEU A 127 -3.003 4.111 15.169 1.00 14.23 H new ATOM 0 HD23 LEU A 127 -2.362 5.626 14.488 1.00 14.23 H new ATOM 2155 N GLU A 128 -5.568 9.310 16.906 1.00 40.54 N ATOM 2156 CA GLU A 128 -5.120 10.702 16.984 1.00 14.32 C ATOM 2157 C GLU A 128 -3.591 10.729 17.115 1.00 35.20 C ATOM 2158 O GLU A 128 -3.050 10.652 18.227 1.00 4.24 O ATOM 2159 CB GLU A 128 -5.822 11.414 18.170 1.00 31.21 C ATOM 2160 CG GLU A 128 -7.365 11.316 18.141 1.00 70.33 C ATOM 2161 CD GLU A 128 -8.073 12.071 19.279 1.00 73.52 C ATOM 2162 OE1 GLU A 128 -7.650 11.949 20.447 1.00 63.44 O ATOM 2163 OE2 GLU A 128 -9.091 12.750 19.014 1.00 11.01 O ATOM 0 H GLU A 128 -6.022 8.980 17.758 1.00 40.54 H new ATOM 0 HA GLU A 128 -5.391 11.242 16.077 1.00 14.32 H new ATOM 0 HB2 GLU A 128 -5.459 10.985 19.104 1.00 31.21 H new ATOM 0 HB3 GLU A 128 -5.535 12.466 18.170 1.00 31.21 H new ATOM 0 HG2 GLU A 128 -7.723 11.703 17.187 1.00 70.33 H new ATOM 0 HG3 GLU A 128 -7.651 10.265 18.186 1.00 70.33 H new ATOM 2170 N HIS A 129 -2.915 10.766 15.946 1.00 73.11 N ATOM 2171 CA HIS A 129 -1.454 10.643 15.841 1.00 2.44 C ATOM 2172 C HIS A 129 -0.736 11.720 16.692 1.00 64.54 C ATOM 2173 O HIS A 129 -0.737 12.909 16.357 1.00 63.43 O ATOM 2174 CB HIS A 129 -0.999 10.679 14.347 1.00 71.44 C ATOM 2175 CG HIS A 129 -1.335 11.945 13.587 1.00 13.20 C ATOM 2176 ND1 HIS A 129 -0.487 13.030 13.529 1.00 55.15 N ATOM 2177 CD2 HIS A 129 -2.437 12.307 12.881 1.00 42.22 C ATOM 2178 CE1 HIS A 129 -1.034 13.983 12.814 1.00 41.21 C ATOM 2179 NE2 HIS A 129 -2.220 13.578 12.413 1.00 14.42 N ATOM 0 H HIS A 129 -3.377 10.883 15.044 1.00 73.11 H new ATOM 0 HA HIS A 129 -1.165 9.673 16.247 1.00 2.44 H new ATOM 0 HB2 HIS A 129 0.080 10.532 14.312 1.00 71.44 H new ATOM 0 HB3 HIS A 129 -1.453 9.835 13.828 1.00 71.44 H new ATOM 0 HD1 HIS A 129 0.429 13.083 13.975 1.00 55.15 H new ATOM 0 HD2 HIS A 129 -3.320 11.706 12.718 1.00 42.22 H new ATOM 0 HE1 HIS A 129 -0.586 14.940 12.591 1.00 41.21 H new ATOM 2188 N HIS A 130 -0.174 11.278 17.828 1.00 21.52 N ATOM 2189 CA HIS A 130 0.623 12.133 18.743 1.00 70.35 C ATOM 2190 C HIS A 130 2.018 12.441 18.149 1.00 73.23 C ATOM 2191 O HIS A 130 2.817 13.171 18.747 1.00 30.34 O ATOM 2192 CB HIS A 130 0.739 11.477 20.136 1.00 61.33 C ATOM 2193 CG HIS A 130 1.440 10.147 20.159 1.00 41.12 C ATOM 2194 ND1 HIS A 130 2.720 9.983 20.635 1.00 41.53 N ATOM 2195 CD2 HIS A 130 1.027 8.915 19.779 1.00 25.33 C ATOM 2196 CE1 HIS A 130 3.057 8.715 20.554 1.00 54.23 C ATOM 2197 NE2 HIS A 130 2.049 8.048 20.039 1.00 1.11 N ATOM 0 H HIS A 130 -0.256 10.312 18.146 1.00 21.52 H new ATOM 0 HA HIS A 130 0.102 13.083 18.859 1.00 70.35 H new ATOM 0 HB2 HIS A 130 1.269 12.161 20.799 1.00 61.33 H new ATOM 0 HB3 HIS A 130 -0.263 11.349 20.545 1.00 61.33 H new ATOM 0 HD2 HIS A 130 0.068 8.665 19.350 1.00 25.33 H new ATOM 0 HE1 HIS A 130 4.003 8.293 20.859 1.00 54.23 H new ATOM 0 HE2 HIS A 130 2.033 7.044 19.862 1.00 1.11 H new ATOM 2206 N HIS A 131 2.290 11.827 16.984 1.00 63.31 N ATOM 2207 CA HIS A 131 3.341 12.236 16.045 1.00 65.33 C ATOM 2208 C HIS A 131 3.018 13.677 15.598 1.00 34.32 C ATOM 2209 O HIS A 131 2.157 13.888 14.733 1.00 71.22 O ATOM 2210 CB HIS A 131 3.332 11.242 14.848 1.00 62.10 C ATOM 2211 CG HIS A 131 4.460 11.348 13.861 1.00 64.31 C ATOM 2212 ND1 HIS A 131 4.682 10.376 12.915 1.00 10.31 N ATOM 2213 CD2 HIS A 131 5.420 12.284 13.661 1.00 41.21 C ATOM 2214 CE1 HIS A 131 5.726 10.693 12.197 1.00 0.44 C ATOM 2215 NE2 HIS A 131 6.193 11.843 12.626 1.00 54.13 N ATOM 0 H HIS A 131 1.769 11.011 16.664 1.00 63.31 H new ATOM 0 HA HIS A 131 4.335 12.219 16.492 1.00 65.33 H new ATOM 0 HB2 HIS A 131 3.328 10.229 15.250 1.00 62.10 H new ATOM 0 HB3 HIS A 131 2.395 11.373 14.306 1.00 62.10 H new ATOM 0 HD2 HIS A 131 5.549 13.202 14.214 1.00 41.21 H new ATOM 0 HE1 HIS A 131 6.136 10.108 11.387 1.00 0.44 H new ATOM 0 HE2 HIS A 131 7.005 12.330 12.246 1.00 54.13 H new ATOM 2224 N HIS A 132 3.699 14.642 16.234 1.00 20.33 N ATOM 2225 CA HIS A 132 3.310 16.070 16.235 1.00 34.22 C ATOM 2226 C HIS A 132 3.344 16.724 14.849 1.00 64.35 C ATOM 2227 O HIS A 132 2.658 17.728 14.622 1.00 32.41 O ATOM 2228 CB HIS A 132 4.184 16.860 17.240 1.00 73.13 C ATOM 2229 CG HIS A 132 3.985 16.432 18.675 1.00 34.21 C ATOM 2230 ND1 HIS A 132 4.943 15.772 19.419 1.00 32.33 N ATOM 2231 CD2 HIS A 132 2.914 16.565 19.493 1.00 43.03 C ATOM 2232 CE1 HIS A 132 4.468 15.519 20.622 1.00 71.10 C ATOM 2233 NE2 HIS A 132 3.244 15.993 20.692 1.00 25.11 N ATOM 0 H HIS A 132 4.546 14.456 16.770 1.00 20.33 H new ATOM 0 HA HIS A 132 2.267 16.104 16.549 1.00 34.22 H new ATOM 0 HB2 HIS A 132 5.234 16.735 16.974 1.00 73.13 H new ATOM 0 HB3 HIS A 132 3.957 17.922 17.151 1.00 73.13 H new ATOM 0 HD2 HIS A 132 1.974 17.035 19.245 1.00 43.03 H new ATOM 0 HE1 HIS A 132 4.995 15.009 21.415 1.00 71.10 H new ATOM 0 HE2 HIS A 132 2.637 15.943 21.510 1.00 25.11 H new ATOM 2242 N HIS A 133 4.136 16.159 13.924 1.00 34.35 N ATOM 2243 CA HIS A 133 4.209 16.670 12.549 1.00 12.33 C ATOM 2244 C HIS A 133 3.081 16.037 11.710 1.00 71.33 C ATOM 2245 O HIS A 133 2.129 16.721 11.322 1.00 22.10 O ATOM 2246 CB HIS A 133 5.611 16.414 11.920 1.00 35.14 C ATOM 2247 CG HIS A 133 5.961 17.385 10.819 1.00 62.15 C ATOM 2248 ND1 HIS A 133 7.042 18.240 10.892 1.00 32.31 N ATOM 2249 CD2 HIS A 133 5.344 17.670 9.648 1.00 63.02 C ATOM 2250 CE1 HIS A 133 7.064 19.010 9.827 1.00 63.45 C ATOM 2251 NE2 HIS A 133 6.048 18.685 9.060 1.00 24.55 N ATOM 0 H HIS A 133 4.732 15.351 14.104 1.00 34.35 H new ATOM 0 HA HIS A 133 4.070 17.751 12.563 1.00 12.33 H new ATOM 0 HB2 HIS A 133 6.368 16.475 12.702 1.00 35.14 H new ATOM 0 HB3 HIS A 133 5.643 15.399 11.523 1.00 35.14 H new ATOM 0 HD2 HIS A 133 4.462 17.187 9.253 1.00 63.02 H new ATOM 0 HE1 HIS A 133 7.793 19.779 9.618 1.00 63.45 H new ATOM 0 HE2 HIS A 133 5.820 19.121 8.167 1.00 24.55 H new ATOM 2260 N HIS A 134 3.191 14.719 11.467 1.00 33.20 N ATOM 2261 CA HIS A 134 2.234 13.958 10.649 1.00 25.15 C ATOM 2262 C HIS A 134 2.371 12.453 10.996 1.00 14.31 C ATOM 2263 O HIS A 134 3.234 11.770 10.406 1.00 73.53 O ATOM 2264 CB HIS A 134 2.473 14.244 9.128 1.00 40.21 C ATOM 2265 CG HIS A 134 1.508 13.534 8.210 1.00 72.33 C ATOM 2266 ND1 HIS A 134 1.642 12.210 7.861 1.00 23.12 N ATOM 2267 CD2 HIS A 134 0.381 13.965 7.595 1.00 71.32 C ATOM 2268 CE1 HIS A 134 0.646 11.863 7.078 1.00 31.23 C ATOM 2269 NE2 HIS A 134 -0.130 12.904 6.902 1.00 41.42 N ATOM 2270 OXT HIS A 134 1.648 11.972 11.889 1.00 37.75 O ATOM 0 H HIS A 134 3.952 14.149 11.836 1.00 33.20 H new ATOM 0 HA HIS A 134 1.212 14.268 10.868 1.00 25.15 H new ATOM 0 HB2 HIS A 134 2.400 15.318 8.955 1.00 40.21 H new ATOM 0 HB3 HIS A 134 3.489 13.948 8.869 1.00 40.21 H new ATOM 0 HD2 HIS A 134 -0.036 14.960 7.643 1.00 71.32 H new ATOM 0 HE1 HIS A 134 0.492 10.883 6.651 1.00 31.23 H new ATOM 0 HE2 HIS A 134 -0.980 12.920 6.338 1.00 41.42 H new TER 2279 HIS A 134