USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1111 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 114 GLN : amide:sc= -1.87! X(o=-1.8!,f=-2.2) USER MOD Set 1.2: A 121 THR OG1 : rot -10:sc= 0.118 USER MOD Set 2.1: A 91 THR OG1 : rot -89:sc= 2.17 USER MOD Set 2.2: A 93 CYS SG : rot 79:sc= 0.59 USER MOD Set 3.1: A 82 LYS NZ :NH3+ -160:sc= 0.697 (180deg=0.453) USER MOD Set 3.2: A 84 TYR OH : rot 43:sc= 0.207 USER MOD Set 4.1: A 69 GLN : amide:sc= -7.93! C(o=-7.5!,f=-3.5!) USER MOD Set 4.2: A 86 SER OG : rot 37:sc= 0.476 USER MOD Set 5.1: A 45 GLN : amide:sc= 0.0999 X(o=0.58,f=0.61) USER MOD Set 5.2: A 111 SER OG : rot 134:sc= 0.482 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.169 (180deg=-0.748) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0195 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.313 K(o=-0.31,f=-0.87) USER MOD Single : A 4 HIS : no HE2:sc= 0.0402 K(o=0.04,f=-0.77) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 6 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-1.6) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 92:sc= 0.394 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 17 SER OG : rot 24:sc= 0.255 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0427 K(o=-0.043,f=-0.92) USER MOD Single : A 27 GLN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 77:sc= 0.937 USER MOD Single : A 39 SER OG : rot -27:sc= 0.162 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.876 K(o=-0.88,f=-0.053) USER MOD Single : A 46 GLN : amide:sc= -0.62 K(o=-0.62,f=-1.5) USER MOD Single : A 55 HIS : no HD1:sc= -0.0928 X(o=-0.093,f=-0.0051) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.8!) USER MOD Single : A 61 MET CE :methyl 150:sc= 0 (180deg=-0.992) USER MOD Single : A 64 GLN : amide:sc= -2.11! K(o=-2.1!,f=-0.16) USER MOD Single : A 67 ASN : amide:sc= 0.033 X(o=0.033,f=-0.27) USER MOD Single : A 70 THR OG1 : rot 140:sc= 0 USER MOD Single : A 73 MET CE :methyl -115:sc= -0.0497 (180deg=-2.02!) USER MOD Single : A 74 SER OG : rot 84:sc= 0.652 USER MOD Single : A 78 SER OG : rot -170:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : A 97 THR OG1 : rot -126:sc= -0.239 USER MOD Single : A 105 ASN : amide:sc= -0.969 X(o=-0.97,f=-0.61) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -171:sc= -0.555 (180deg=-0.683) USER MOD Single : A 109 GLN : amide:sc= -0.0192 X(o=-0.019,f=-0.34) USER MOD Single : A 113 LYS NZ :NH3+ -165:sc= 1.11 (180deg=0.923) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.0769 X(o=-0.077,f=-0.52) USER MOD Single : A 124 SER OG : rot 89:sc= 0.666 USER MOD Single : A 127 SER OG : rot 73:sc= 0.691 USER MOD Single : A 131 THR OG1 : rot 78:sc= 1.04 USER MOD Single : A 135 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.418 25.764 9.332 1.00 55.10 N ATOM 2 CA MET A 1 1.656 26.185 7.936 1.00 22.43 C ATOM 3 C MET A 1 1.282 27.670 7.767 1.00 5.41 C ATOM 4 O MET A 1 0.267 28.123 8.319 1.00 43.11 O ATOM 5 CB MET A 1 0.837 25.303 6.962 1.00 15.31 C ATOM 6 CG MET A 1 1.075 25.579 5.465 1.00 63.03 C ATOM 7 SD MET A 1 0.035 24.562 4.403 1.00 4.10 S ATOM 8 CE MET A 1 0.533 22.913 4.903 1.00 33.34 C ATOM 0 H1 MET A 1 0.933 24.844 9.339 1.00 55.10 H new ATOM 0 H2 MET A 1 2.328 25.680 9.829 1.00 55.10 H new ATOM 0 H3 MET A 1 0.825 26.471 9.812 1.00 55.10 H new ATOM 0 HA MET A 1 2.713 26.061 7.702 1.00 22.43 H new ATOM 0 HB2 MET A 1 1.069 24.257 7.163 1.00 15.31 H new ATOM 0 HB3 MET A 1 -0.223 25.442 7.176 1.00 15.31 H new ATOM 0 HG2 MET A 1 0.881 26.631 5.258 1.00 63.03 H new ATOM 0 HG3 MET A 1 2.123 25.395 5.227 1.00 63.03 H new ATOM 0 HE1 MET A 1 0.247 22.197 4.132 1.00 33.34 H new ATOM 0 HE2 MET A 1 1.614 22.886 5.041 1.00 33.34 H new ATOM 0 HE3 MET A 1 0.041 22.653 5.840 1.00 33.34 H new ATOM 20 N GLY A 2 2.099 28.405 6.994 1.00 4.35 N ATOM 21 CA GLY A 2 1.926 29.842 6.764 1.00 42.23 C ATOM 22 C GLY A 2 3.107 30.603 7.324 1.00 73.31 C ATOM 23 O GLY A 2 2.949 31.384 8.269 1.00 32.22 O ATOM 0 H GLY A 2 2.905 28.011 6.508 1.00 4.35 H new ATOM 0 HA2 GLY A 2 1.830 30.038 5.696 1.00 42.23 H new ATOM 0 HA3 GLY A 2 1.005 30.186 7.235 1.00 42.23 H new ATOM 27 N HIS A 3 4.311 30.332 6.758 1.00 64.53 N ATOM 28 CA HIS A 3 5.593 30.859 7.274 1.00 13.51 C ATOM 29 C HIS A 3 5.697 32.389 7.059 1.00 23.15 C ATOM 30 O HIS A 3 6.332 32.887 6.122 1.00 24.01 O ATOM 31 CB HIS A 3 6.810 30.073 6.674 1.00 53.30 C ATOM 32 CG HIS A 3 6.983 30.165 5.171 1.00 23.32 C ATOM 33 ND1 HIS A 3 7.830 31.070 4.568 1.00 23.24 N ATOM 34 CD2 HIS A 3 6.416 29.475 4.155 1.00 31.41 C ATOM 35 CE1 HIS A 3 7.762 30.942 3.265 1.00 25.43 C ATOM 36 NE2 HIS A 3 6.910 29.979 2.983 1.00 4.32 N ATOM 0 H HIS A 3 4.416 29.742 5.932 1.00 64.53 H new ATOM 0 HA HIS A 3 5.622 30.697 8.352 1.00 13.51 H new ATOM 0 HB2 HIS A 3 7.722 30.437 7.148 1.00 53.30 H new ATOM 0 HB3 HIS A 3 6.708 29.022 6.945 1.00 53.30 H new ATOM 0 HD2 HIS A 3 5.702 28.671 4.252 1.00 31.41 H new ATOM 0 HE1 HIS A 3 8.313 31.528 2.544 1.00 25.43 H new ATOM 0 HE2 HIS A 3 6.660 29.661 2.047 1.00 4.32 H new ATOM 45 N HIS A 4 5.041 33.140 7.960 1.00 25.54 N ATOM 46 CA HIS A 4 4.865 34.603 7.843 1.00 63.05 C ATOM 47 C HIS A 4 6.064 35.379 8.420 1.00 51.51 C ATOM 48 O HIS A 4 5.906 36.515 8.877 1.00 31.33 O ATOM 49 CB HIS A 4 3.533 35.028 8.528 1.00 73.12 C ATOM 50 CG HIS A 4 3.447 34.769 10.018 1.00 73.51 C ATOM 51 ND1 HIS A 4 4.076 35.560 10.959 1.00 63.53 N ATOM 52 CD2 HIS A 4 2.796 33.815 10.723 1.00 4.43 C ATOM 53 CE1 HIS A 4 3.814 35.106 12.163 1.00 50.52 C ATOM 54 NE2 HIS A 4 3.041 34.050 12.052 1.00 11.12 N ATOM 0 H HIS A 4 4.613 32.748 8.799 1.00 25.54 H new ATOM 0 HA HIS A 4 4.815 34.855 6.784 1.00 63.05 H new ATOM 0 HB2 HIS A 4 3.380 36.093 8.354 1.00 73.12 H new ATOM 0 HB3 HIS A 4 2.712 34.504 8.039 1.00 73.12 H new ATOM 0 HD1 HIS A 4 4.656 36.373 10.751 1.00 63.53 H new ATOM 0 HD2 HIS A 4 2.195 33.016 10.315 1.00 4.43 H new ATOM 0 HE1 HIS A 4 4.174 35.530 13.089 1.00 50.52 H new ATOM 63 N HIS A 5 7.269 34.777 8.354 1.00 72.51 N ATOM 64 CA HIS A 5 8.513 35.399 8.848 1.00 15.54 C ATOM 65 C HIS A 5 8.890 36.634 7.998 1.00 74.43 C ATOM 66 O HIS A 5 9.502 37.587 8.501 1.00 53.40 O ATOM 67 CB HIS A 5 9.661 34.355 8.851 1.00 10.41 C ATOM 68 CG HIS A 5 10.920 34.839 9.523 1.00 50.25 C ATOM 69 ND1 HIS A 5 12.070 35.165 8.837 1.00 21.24 N ATOM 70 CD2 HIS A 5 11.201 35.043 10.834 1.00 11.10 C ATOM 71 CE1 HIS A 5 12.991 35.557 9.691 1.00 71.44 C ATOM 72 NE2 HIS A 5 12.494 35.490 10.908 1.00 23.11 N ATOM 0 H HIS A 5 7.406 33.847 7.957 1.00 72.51 H new ATOM 0 HA HIS A 5 8.350 35.741 9.870 1.00 15.54 H new ATOM 0 HB2 HIS A 5 9.316 33.451 9.353 1.00 10.41 H new ATOM 0 HB3 HIS A 5 9.892 34.080 7.822 1.00 10.41 H new ATOM 0 HD2 HIS A 5 10.530 34.883 11.665 1.00 11.10 H new ATOM 0 HE1 HIS A 5 13.989 35.880 9.436 1.00 71.44 H new ATOM 0 HE2 HIS A 5 12.990 35.731 11.766 1.00 23.11 H new ATOM 81 N HIS A 6 8.525 36.590 6.704 1.00 14.51 N ATOM 82 CA HIS A 6 8.683 37.728 5.785 1.00 51.33 C ATOM 83 C HIS A 6 7.718 38.869 6.174 1.00 34.24 C ATOM 84 O HIS A 6 6.512 38.647 6.342 1.00 60.30 O ATOM 85 CB HIS A 6 8.436 37.277 4.309 1.00 52.40 C ATOM 86 CG HIS A 6 7.020 36.817 4.009 1.00 32.43 C ATOM 87 ND1 HIS A 6 6.138 37.548 3.240 1.00 72.02 N ATOM 88 CD2 HIS A 6 6.340 35.695 4.370 1.00 62.53 C ATOM 89 CE1 HIS A 6 4.989 36.906 3.157 1.00 45.33 C ATOM 90 NE2 HIS A 6 5.086 35.782 3.831 1.00 51.53 N ATOM 0 H HIS A 6 8.113 35.765 6.268 1.00 14.51 H new ATOM 0 HA HIS A 6 9.705 38.099 5.863 1.00 51.33 H new ATOM 0 HB2 HIS A 6 8.681 38.106 3.645 1.00 52.40 H new ATOM 0 HB3 HIS A 6 9.124 36.465 4.073 1.00 52.40 H new ATOM 0 HD2 HIS A 6 6.721 34.884 4.972 1.00 62.53 H new ATOM 0 HE1 HIS A 6 4.114 37.247 2.624 1.00 45.33 H new ATOM 0 HE2 HIS A 6 4.346 35.087 3.935 1.00 51.53 H new ATOM 99 N HIS A 7 8.272 40.070 6.375 1.00 74.23 N ATOM 100 CA HIS A 7 7.478 41.311 6.543 1.00 73.35 C ATOM 101 C HIS A 7 7.160 41.923 5.163 1.00 55.23 C ATOM 102 O HIS A 7 6.289 42.788 5.046 1.00 4.11 O ATOM 103 CB HIS A 7 8.228 42.333 7.441 1.00 43.35 C ATOM 104 CG HIS A 7 8.392 41.888 8.873 1.00 63.41 C ATOM 105 ND1 HIS A 7 7.478 42.186 9.863 1.00 15.31 N ATOM 106 CD2 HIS A 7 9.375 41.180 9.483 1.00 10.53 C ATOM 107 CE1 HIS A 7 7.889 41.685 11.008 1.00 24.13 C ATOM 108 NE2 HIS A 7 9.037 41.069 10.809 1.00 52.02 N ATOM 0 H HIS A 7 9.280 40.218 6.427 1.00 74.23 H new ATOM 0 HA HIS A 7 6.541 41.060 7.039 1.00 73.35 H new ATOM 0 HB2 HIS A 7 9.213 42.521 7.015 1.00 43.35 H new ATOM 0 HB3 HIS A 7 7.688 43.280 7.425 1.00 43.35 H new ATOM 0 HD2 HIS A 7 10.260 40.778 9.013 1.00 10.53 H new ATOM 0 HE1 HIS A 7 7.372 41.765 11.953 1.00 24.13 H new ATOM 0 HE2 HIS A 7 9.585 40.589 11.523 1.00 52.02 H new ATOM 117 N HIS A 8 7.914 41.473 4.137 1.00 43.04 N ATOM 118 CA HIS A 8 7.705 41.789 2.712 1.00 60.10 C ATOM 119 C HIS A 8 8.085 40.546 1.884 1.00 43.52 C ATOM 120 O HIS A 8 9.102 39.899 2.163 1.00 51.34 O ATOM 121 CB HIS A 8 8.557 43.009 2.256 1.00 4.32 C ATOM 122 CG HIS A 8 8.108 44.334 2.817 1.00 34.14 C ATOM 123 ND1 HIS A 8 8.912 45.150 3.583 1.00 73.44 N ATOM 124 CD2 HIS A 8 6.927 44.990 2.695 1.00 12.43 C ATOM 125 CE1 HIS A 8 8.244 46.239 3.907 1.00 35.23 C ATOM 126 NE2 HIS A 8 7.042 46.167 3.381 1.00 71.24 N ATOM 0 H HIS A 8 8.713 40.857 4.286 1.00 43.04 H new ATOM 0 HA HIS A 8 6.659 42.054 2.560 1.00 60.10 H new ATOM 0 HB2 HIS A 8 9.594 42.840 2.546 1.00 4.32 H new ATOM 0 HB3 HIS A 8 8.535 43.064 1.168 1.00 4.32 H new ATOM 0 HD2 HIS A 8 6.057 44.646 2.156 1.00 12.43 H new ATOM 0 HE1 HIS A 8 8.622 47.055 4.505 1.00 35.23 H new ATOM 0 HE2 HIS A 8 6.313 46.875 3.470 1.00 71.24 H new ATOM 135 N SER A 9 7.257 40.211 0.890 1.00 34.42 N ATOM 136 CA SER A 9 7.477 39.067 -0.012 1.00 5.15 C ATOM 137 C SER A 9 7.954 39.559 -1.397 1.00 24.12 C ATOM 138 O SER A 9 7.388 40.509 -1.943 1.00 34.22 O ATOM 139 CB SER A 9 6.163 38.249 -0.137 1.00 62.21 C ATOM 140 OG SER A 9 5.051 39.091 -0.394 1.00 43.11 O ATOM 0 H SER A 9 6.404 40.730 0.683 1.00 34.42 H new ATOM 0 HA SER A 9 8.254 38.424 0.401 1.00 5.15 H new ATOM 0 HB2 SER A 9 6.262 37.519 -0.941 1.00 62.21 H new ATOM 0 HB3 SER A 9 5.992 37.689 0.783 1.00 62.21 H new ATOM 0 HG SER A 9 4.916 39.169 -1.362 1.00 43.11 H new ATOM 146 N HIS A 10 9.012 38.906 -1.936 1.00 51.11 N ATOM 147 CA HIS A 10 9.501 39.120 -3.322 1.00 63.42 C ATOM 148 C HIS A 10 8.385 38.791 -4.327 1.00 3.12 C ATOM 149 O HIS A 10 8.219 39.460 -5.350 1.00 21.20 O ATOM 150 CB HIS A 10 10.762 38.237 -3.593 1.00 44.04 C ATOM 151 CG HIS A 10 11.341 38.373 -4.991 1.00 72.13 C ATOM 152 ND1 HIS A 10 12.319 39.291 -5.314 1.00 22.44 N ATOM 153 CD2 HIS A 10 11.088 37.692 -6.143 1.00 42.21 C ATOM 154 CE1 HIS A 10 12.624 39.180 -6.593 1.00 45.12 C ATOM 155 NE2 HIS A 10 11.895 38.218 -7.113 1.00 42.11 N ATOM 0 H HIS A 10 9.553 38.213 -1.420 1.00 51.11 H new ATOM 0 HA HIS A 10 9.783 40.166 -3.442 1.00 63.42 H new ATOM 0 HB2 HIS A 10 11.533 38.496 -2.868 1.00 44.04 H new ATOM 0 HB3 HIS A 10 10.501 37.193 -3.422 1.00 44.04 H new ATOM 0 HD2 HIS A 10 10.381 36.885 -6.267 1.00 42.21 H new ATOM 0 HE1 HIS A 10 13.350 39.779 -7.123 1.00 45.12 H new ATOM 0 HE2 HIS A 10 11.926 37.912 -8.086 1.00 42.11 H new ATOM 164 N MET A 11 7.634 37.738 -4.000 1.00 74.32 N ATOM 165 CA MET A 11 6.467 37.296 -4.768 1.00 13.44 C ATOM 166 C MET A 11 5.196 38.032 -4.288 1.00 44.22 C ATOM 167 O MET A 11 5.248 38.858 -3.369 1.00 4.13 O ATOM 168 CB MET A 11 6.323 35.750 -4.637 1.00 70.23 C ATOM 169 CG MET A 11 6.159 35.217 -3.198 1.00 41.44 C ATOM 170 SD MET A 11 4.542 35.594 -2.473 1.00 35.43 S ATOM 171 CE MET A 11 4.591 34.627 -0.961 1.00 5.44 C ATOM 0 H MET A 11 7.822 37.159 -3.182 1.00 74.32 H new ATOM 0 HA MET A 11 6.603 37.542 -5.821 1.00 13.44 H new ATOM 0 HB2 MET A 11 5.461 35.432 -5.224 1.00 70.23 H new ATOM 0 HB3 MET A 11 7.201 35.282 -5.081 1.00 70.23 H new ATOM 0 HG2 MET A 11 6.306 34.137 -3.199 1.00 41.44 H new ATOM 0 HG3 MET A 11 6.940 35.644 -2.569 1.00 41.44 H new ATOM 0 HE1 MET A 11 3.659 34.763 -0.412 1.00 5.44 H new ATOM 0 HE2 MET A 11 4.717 33.573 -1.207 1.00 5.44 H new ATOM 0 HE3 MET A 11 5.427 34.958 -0.344 1.00 5.44 H new ATOM 181 N GLN A 12 4.066 37.731 -4.939 1.00 12.41 N ATOM 182 CA GLN A 12 2.723 38.188 -4.509 1.00 71.23 C ATOM 183 C GLN A 12 1.695 37.050 -4.735 1.00 64.31 C ATOM 184 O GLN A 12 0.495 37.202 -4.462 1.00 62.25 O ATOM 185 CB GLN A 12 2.334 39.496 -5.272 1.00 60.32 C ATOM 186 CG GLN A 12 1.081 40.223 -4.722 1.00 52.31 C ATOM 187 CD GLN A 12 0.682 41.473 -5.508 1.00 10.34 C ATOM 188 OE1 GLN A 12 1.522 42.167 -6.081 1.00 24.44 O ATOM 189 NE2 GLN A 12 -0.612 41.763 -5.557 1.00 43.03 N ATOM 0 H GLN A 12 4.049 37.161 -5.785 1.00 12.41 H new ATOM 0 HA GLN A 12 2.730 38.425 -3.445 1.00 71.23 H new ATOM 0 HB2 GLN A 12 3.179 40.184 -5.239 1.00 60.32 H new ATOM 0 HB3 GLN A 12 2.163 39.251 -6.320 1.00 60.32 H new ATOM 0 HG2 GLN A 12 0.243 39.526 -4.720 1.00 52.31 H new ATOM 0 HG3 GLN A 12 1.264 40.504 -3.685 1.00 52.31 H new ATOM 0 HE21 GLN A 12 -1.286 41.170 -5.073 1.00 43.03 H new ATOM 0 HE22 GLN A 12 -0.932 42.579 -6.079 1.00 43.03 H new ATOM 198 N GLU A 13 2.194 35.886 -5.195 1.00 32.41 N ATOM 199 CA GLU A 13 1.361 34.713 -5.498 1.00 12.42 C ATOM 200 C GLU A 13 0.969 33.960 -4.211 1.00 2.31 C ATOM 201 O GLU A 13 1.675 34.034 -3.201 1.00 32.10 O ATOM 202 CB GLU A 13 2.068 33.806 -6.557 1.00 24.25 C ATOM 203 CG GLU A 13 3.562 33.455 -6.311 1.00 3.01 C ATOM 204 CD GLU A 13 3.804 32.373 -5.246 1.00 53.55 C ATOM 205 OE1 GLU A 13 3.538 31.193 -5.523 1.00 24.43 O ATOM 206 OE2 GLU A 13 4.269 32.684 -4.140 1.00 61.00 O ATOM 0 H GLU A 13 3.188 35.736 -5.366 1.00 32.41 H new ATOM 0 HA GLU A 13 0.423 35.045 -5.944 1.00 12.42 H new ATOM 0 HB2 GLU A 13 1.510 32.873 -6.628 1.00 24.25 H new ATOM 0 HB3 GLU A 13 1.992 34.298 -7.527 1.00 24.25 H new ATOM 0 HG2 GLU A 13 4.002 33.124 -7.252 1.00 3.01 H new ATOM 0 HG3 GLU A 13 4.089 34.362 -6.014 1.00 3.01 H new ATOM 213 N LEU A 14 -0.184 33.272 -4.256 1.00 53.12 N ATOM 214 CA LEU A 14 -0.783 32.576 -3.096 1.00 61.13 C ATOM 215 C LEU A 14 -0.518 31.053 -3.213 1.00 21.53 C ATOM 216 O LEU A 14 -0.334 30.562 -4.328 1.00 71.13 O ATOM 217 CB LEU A 14 -2.323 32.849 -3.028 1.00 34.32 C ATOM 218 CG LEU A 14 -2.789 34.313 -2.687 1.00 12.12 C ATOM 219 CD1 LEU A 14 -2.448 35.320 -3.807 1.00 12.44 C ATOM 220 CD2 LEU A 14 -4.298 34.339 -2.354 1.00 73.14 C ATOM 0 H LEU A 14 -0.736 33.180 -5.108 1.00 53.12 H new ATOM 0 HA LEU A 14 -0.326 32.954 -2.182 1.00 61.13 H new ATOM 0 HB2 LEU A 14 -2.756 32.574 -3.990 1.00 34.32 H new ATOM 0 HB3 LEU A 14 -2.751 32.178 -2.283 1.00 34.32 H new ATOM 0 HG LEU A 14 -2.232 34.630 -1.806 1.00 12.12 H new ATOM 0 HD11 LEU A 14 -2.792 36.314 -3.520 1.00 12.44 H new ATOM 0 HD12 LEU A 14 -1.369 35.340 -3.962 1.00 12.44 H new ATOM 0 HD13 LEU A 14 -2.942 35.018 -4.730 1.00 12.44 H new ATOM 0 HD21 LEU A 14 -4.602 35.360 -2.121 1.00 73.14 H new ATOM 0 HD22 LEU A 14 -4.866 33.978 -3.211 1.00 73.14 H new ATOM 0 HD23 LEU A 14 -4.492 33.697 -1.494 1.00 73.14 H new ATOM 232 N PRO A 15 -0.473 30.279 -2.066 1.00 13.44 N ATOM 233 CA PRO A 15 -0.275 28.800 -2.092 1.00 43.33 C ATOM 234 C PRO A 15 -1.389 28.075 -2.886 1.00 13.11 C ATOM 235 O PRO A 15 -2.490 27.852 -2.369 1.00 51.32 O ATOM 236 CB PRO A 15 -0.270 28.402 -0.586 1.00 43.32 C ATOM 237 CG PRO A 15 0.049 29.672 0.144 1.00 1.34 C ATOM 238 CD PRO A 15 -0.590 30.776 -0.665 1.00 62.43 C ATOM 0 HA PRO A 15 0.644 28.511 -2.602 1.00 43.33 H new ATOM 0 HB2 PRO A 15 -1.236 28.001 -0.279 1.00 43.32 H new ATOM 0 HB3 PRO A 15 0.474 27.631 -0.383 1.00 43.32 H new ATOM 0 HG2 PRO A 15 -0.347 29.651 1.159 1.00 1.34 H new ATOM 0 HG3 PRO A 15 1.126 29.818 0.225 1.00 1.34 H new ATOM 0 HD2 PRO A 15 -1.630 30.935 -0.379 1.00 62.43 H new ATOM 0 HD3 PRO A 15 -0.073 31.726 -0.530 1.00 62.43 H new ATOM 246 N ASP A 16 -1.103 27.767 -4.166 1.00 73.33 N ATOM 247 CA ASP A 16 -2.084 27.182 -5.091 1.00 44.44 C ATOM 248 C ASP A 16 -1.380 26.271 -6.118 1.00 25.15 C ATOM 249 O ASP A 16 -1.004 26.707 -7.214 1.00 1.45 O ATOM 250 CB ASP A 16 -2.893 28.316 -5.779 1.00 74.54 C ATOM 251 CG ASP A 16 -3.971 27.802 -6.750 1.00 21.21 C ATOM 252 OD1 ASP A 16 -4.859 27.047 -6.311 1.00 5.24 O ATOM 253 OD2 ASP A 16 -3.958 28.185 -7.942 1.00 20.53 O ATOM 0 H ASP A 16 -0.185 27.918 -4.584 1.00 73.33 H new ATOM 0 HA ASP A 16 -2.784 26.558 -4.535 1.00 44.44 H new ATOM 0 HB2 ASP A 16 -3.368 28.928 -5.013 1.00 74.54 H new ATOM 0 HB3 ASP A 16 -2.205 28.963 -6.323 1.00 74.54 H new ATOM 258 N SER A 17 -1.121 25.026 -5.693 1.00 64.31 N ATOM 259 CA SER A 17 -0.618 23.935 -6.546 1.00 41.20 C ATOM 260 C SER A 17 -0.864 22.612 -5.803 1.00 31.11 C ATOM 261 O SER A 17 -0.357 22.427 -4.689 1.00 4.24 O ATOM 262 CB SER A 17 0.891 24.115 -6.878 1.00 3.31 C ATOM 263 OG SER A 17 1.693 24.194 -5.708 1.00 22.04 O ATOM 0 H SER A 17 -1.258 24.741 -4.723 1.00 64.31 H new ATOM 0 HA SER A 17 -1.145 23.940 -7.500 1.00 41.20 H new ATOM 0 HB2 SER A 17 1.228 23.280 -7.492 1.00 3.31 H new ATOM 0 HB3 SER A 17 1.025 25.020 -7.470 1.00 3.31 H new ATOM 0 HG SER A 17 1.229 23.758 -4.963 1.00 22.04 H new ATOM 269 N GLY A 18 -1.657 21.706 -6.402 1.00 54.33 N ATOM 270 CA GLY A 18 -2.024 20.448 -5.750 1.00 54.54 C ATOM 271 C GLY A 18 -2.314 19.334 -6.746 1.00 20.04 C ATOM 272 O GLY A 18 -2.945 19.576 -7.785 1.00 21.31 O ATOM 0 H GLY A 18 -2.052 21.826 -7.334 1.00 54.33 H new ATOM 0 HA2 GLY A 18 -1.216 20.137 -5.088 1.00 54.54 H new ATOM 0 HA3 GLY A 18 -2.903 20.610 -5.126 1.00 54.54 H new ATOM 276 N ALA A 19 -1.845 18.120 -6.426 1.00 74.33 N ATOM 277 CA ALA A 19 -2.105 16.890 -7.208 1.00 65.25 C ATOM 278 C ALA A 19 -1.736 15.676 -6.345 1.00 11.14 C ATOM 279 O ALA A 19 -1.533 15.827 -5.140 1.00 63.11 O ATOM 280 CB ALA A 19 -1.302 16.908 -8.530 1.00 34.34 C ATOM 0 H ALA A 19 -1.264 17.956 -5.604 1.00 74.33 H new ATOM 0 HA ALA A 19 -3.160 16.832 -7.474 1.00 65.25 H new ATOM 0 HB1 ALA A 19 -1.505 15.996 -9.092 1.00 34.34 H new ATOM 0 HB2 ALA A 19 -1.597 17.773 -9.123 1.00 34.34 H new ATOM 0 HB3 ALA A 19 -0.237 16.967 -8.308 1.00 34.34 H new ATOM 286 N LEU A 20 -1.701 14.468 -6.930 1.00 73.03 N ATOM 287 CA LEU A 20 -1.031 13.327 -6.290 1.00 13.31 C ATOM 288 C LEU A 20 0.394 13.236 -6.871 1.00 24.23 C ATOM 289 O LEU A 20 0.602 12.686 -7.958 1.00 41.44 O ATOM 290 CB LEU A 20 -1.807 11.994 -6.534 1.00 2.53 C ATOM 291 CG LEU A 20 -1.160 10.700 -5.908 1.00 35.23 C ATOM 292 CD1 LEU A 20 -1.256 10.704 -4.379 1.00 3.02 C ATOM 293 CD2 LEU A 20 -1.758 9.408 -6.492 1.00 40.11 C ATOM 0 H LEU A 20 -2.124 14.258 -7.834 1.00 73.03 H new ATOM 0 HA LEU A 20 -0.999 13.479 -5.211 1.00 13.31 H new ATOM 0 HB2 LEU A 20 -2.815 12.104 -6.134 1.00 2.53 H new ATOM 0 HB3 LEU A 20 -1.906 11.844 -7.609 1.00 2.53 H new ATOM 0 HG LEU A 20 -0.104 10.720 -6.179 1.00 35.23 H new ATOM 0 HD11 LEU A 20 -0.800 9.797 -3.983 1.00 3.02 H new ATOM 0 HD12 LEU A 20 -0.733 11.575 -3.984 1.00 3.02 H new ATOM 0 HD13 LEU A 20 -2.304 10.743 -4.080 1.00 3.02 H new ATOM 0 HD21 LEU A 20 -1.280 8.544 -6.029 1.00 40.11 H new ATOM 0 HD22 LEU A 20 -2.829 9.380 -6.292 1.00 40.11 H new ATOM 0 HD23 LEU A 20 -1.589 9.383 -7.569 1.00 40.11 H new ATOM 305 N MET A 21 1.357 13.841 -6.166 1.00 33.34 N ATOM 306 CA MET A 21 2.798 13.701 -6.441 1.00 35.04 C ATOM 307 C MET A 21 3.457 13.159 -5.184 1.00 2.31 C ATOM 308 O MET A 21 3.676 13.914 -4.230 1.00 22.24 O ATOM 309 CB MET A 21 3.429 15.063 -6.876 1.00 50.44 C ATOM 310 CG MET A 21 4.974 15.109 -6.905 1.00 53.35 C ATOM 311 SD MET A 21 5.693 13.878 -8.016 1.00 60.14 S ATOM 312 CE MET A 21 7.447 14.112 -7.707 1.00 44.20 C ATOM 0 H MET A 21 1.157 14.453 -5.375 1.00 33.34 H new ATOM 0 HA MET A 21 2.956 13.013 -7.271 1.00 35.04 H new ATOM 0 HB2 MET A 21 3.058 15.313 -7.870 1.00 50.44 H new ATOM 0 HB3 MET A 21 3.074 15.840 -6.199 1.00 50.44 H new ATOM 0 HG2 MET A 21 5.297 16.103 -7.214 1.00 53.35 H new ATOM 0 HG3 MET A 21 5.356 14.949 -5.897 1.00 53.35 H new ATOM 0 HE1 MET A 21 8.021 13.420 -8.323 1.00 44.20 H new ATOM 0 HE2 MET A 21 7.727 15.136 -7.955 1.00 44.20 H new ATOM 0 HE3 MET A 21 7.660 13.923 -6.655 1.00 44.20 H new ATOM 322 N LEU A 22 3.745 11.848 -5.171 1.00 32.41 N ATOM 323 CA LEU A 22 4.323 11.180 -4.001 1.00 12.23 C ATOM 324 C LEU A 22 5.790 11.602 -3.857 1.00 53.32 C ATOM 325 O LEU A 22 6.646 11.212 -4.657 1.00 74.32 O ATOM 326 CB LEU A 22 4.189 9.642 -4.135 1.00 62.10 C ATOM 327 CG LEU A 22 2.731 9.100 -4.283 1.00 32.31 C ATOM 328 CD1 LEU A 22 2.717 7.588 -4.564 1.00 34.45 C ATOM 329 CD2 LEU A 22 1.879 9.451 -3.043 1.00 34.22 C ATOM 0 H LEU A 22 3.584 11.228 -5.965 1.00 32.41 H new ATOM 0 HA LEU A 22 3.782 11.477 -3.103 1.00 12.23 H new ATOM 0 HB2 LEU A 22 4.767 9.319 -5.001 1.00 62.10 H new ATOM 0 HB3 LEU A 22 4.642 9.178 -3.259 1.00 62.10 H new ATOM 0 HG LEU A 22 2.282 9.593 -5.145 1.00 32.31 H new ATOM 0 HD11 LEU A 22 1.687 7.245 -4.661 1.00 34.45 H new ATOM 0 HD12 LEU A 22 3.256 7.385 -5.490 1.00 34.45 H new ATOM 0 HD13 LEU A 22 3.199 7.060 -3.741 1.00 34.45 H new ATOM 0 HD21 LEU A 22 0.869 9.062 -3.173 1.00 34.22 H new ATOM 0 HD22 LEU A 22 2.328 9.006 -2.155 1.00 34.22 H new ATOM 0 HD23 LEU A 22 1.838 10.534 -2.924 1.00 34.22 H new ATOM 341 N VAL A 23 6.037 12.445 -2.849 1.00 20.12 N ATOM 342 CA VAL A 23 7.358 13.009 -2.547 1.00 13.44 C ATOM 343 C VAL A 23 8.135 12.039 -1.622 1.00 75.45 C ATOM 344 O VAL A 23 7.498 11.288 -0.861 1.00 74.22 O ATOM 345 CB VAL A 23 7.201 14.429 -1.880 1.00 42.41 C ATOM 346 CG1 VAL A 23 6.453 15.398 -2.831 1.00 74.34 C ATOM 347 CG2 VAL A 23 6.486 14.340 -0.508 1.00 22.21 C ATOM 0 H VAL A 23 5.310 12.761 -2.207 1.00 20.12 H new ATOM 0 HA VAL A 23 7.923 13.133 -3.471 1.00 13.44 H new ATOM 0 HB VAL A 23 8.201 14.823 -1.701 1.00 42.41 H new ATOM 0 HG11 VAL A 23 6.354 16.373 -2.353 1.00 74.34 H new ATOM 0 HG12 VAL A 23 7.015 15.504 -3.759 1.00 74.34 H new ATOM 0 HG13 VAL A 23 5.462 15.000 -3.051 1.00 74.34 H new ATOM 0 HG21 VAL A 23 6.396 15.338 -0.079 1.00 22.21 H new ATOM 0 HG22 VAL A 23 5.493 13.912 -0.642 1.00 22.21 H new ATOM 0 HG23 VAL A 23 7.066 13.707 0.164 1.00 22.21 H new ATOM 357 N PRO A 24 9.510 11.987 -1.708 1.00 33.51 N ATOM 358 CA PRO A 24 10.350 11.166 -0.794 1.00 4.55 C ATOM 359 C PRO A 24 10.243 11.650 0.672 1.00 22.42 C ATOM 360 O PRO A 24 11.082 12.418 1.161 1.00 4.15 O ATOM 361 CB PRO A 24 11.790 11.315 -1.379 1.00 34.43 C ATOM 362 CG PRO A 24 11.584 11.810 -2.784 1.00 2.21 C ATOM 363 CD PRO A 24 10.352 12.681 -2.718 1.00 35.01 C ATOM 0 HA PRO A 24 10.036 10.123 -0.749 1.00 4.55 H new ATOM 0 HB2 PRO A 24 12.384 12.018 -0.795 1.00 34.43 H new ATOM 0 HB3 PRO A 24 12.322 10.364 -1.369 1.00 34.43 H new ATOM 0 HG2 PRO A 24 12.448 12.375 -3.133 1.00 2.21 H new ATOM 0 HG3 PRO A 24 11.444 10.981 -3.477 1.00 2.21 H new ATOM 0 HD2 PRO A 24 10.593 13.699 -2.413 1.00 35.01 H new ATOM 0 HD3 PRO A 24 9.852 12.748 -3.684 1.00 35.01 H new ATOM 371 N ASN A 25 9.160 11.213 1.329 1.00 44.32 N ATOM 372 CA ASN A 25 8.816 11.572 2.711 1.00 5.33 C ATOM 373 C ASN A 25 9.748 10.838 3.690 1.00 31.42 C ATOM 374 O ASN A 25 10.278 9.763 3.365 1.00 3.44 O ATOM 375 CB ASN A 25 7.325 11.209 2.980 1.00 32.31 C ATOM 376 CG ASN A 25 6.829 11.536 4.405 1.00 32.10 C ATOM 377 OD1 ASN A 25 7.253 12.513 5.029 1.00 14.05 O ATOM 378 ND2 ASN A 25 5.915 10.729 4.919 1.00 51.51 N ATOM 0 H ASN A 25 8.481 10.583 0.902 1.00 44.32 H new ATOM 0 HA ASN A 25 8.947 12.644 2.859 1.00 5.33 H new ATOM 0 HB2 ASN A 25 6.701 11.740 2.262 1.00 32.31 H new ATOM 0 HB3 ASN A 25 7.186 10.144 2.797 1.00 32.31 H new ATOM 0 HD21 ASN A 25 5.544 10.908 5.852 1.00 51.51 H new ATOM 0 HD22 ASN A 25 5.582 9.928 4.382 1.00 51.51 H new ATOM 385 N ARG A 26 9.957 11.442 4.877 1.00 15.42 N ATOM 386 CA ARG A 26 10.758 10.850 5.960 1.00 50.03 C ATOM 387 C ARG A 26 10.058 9.565 6.427 1.00 32.42 C ATOM 388 O ARG A 26 8.920 9.619 6.922 1.00 23.43 O ATOM 389 CB ARG A 26 10.940 11.872 7.120 1.00 2.02 C ATOM 390 CG ARG A 26 11.466 13.260 6.665 1.00 2.23 C ATOM 391 CD ARG A 26 12.810 13.177 5.912 1.00 20.54 C ATOM 392 NE ARG A 26 13.163 14.453 5.259 1.00 12.51 N ATOM 393 CZ ARG A 26 13.768 14.569 4.061 1.00 64.34 C ATOM 394 NH1 ARG A 26 14.105 13.492 3.354 1.00 54.03 N ATOM 395 NH2 ARG A 26 14.023 15.768 3.563 1.00 63.22 N ATOM 0 H ARG A 26 9.572 12.358 5.109 1.00 15.42 H new ATOM 0 HA ARG A 26 11.758 10.598 5.606 1.00 50.03 H new ATOM 0 HB2 ARG A 26 9.984 12.006 7.626 1.00 2.02 H new ATOM 0 HB3 ARG A 26 11.632 11.455 7.852 1.00 2.02 H new ATOM 0 HG2 ARG A 26 10.723 13.731 6.021 1.00 2.23 H new ATOM 0 HG3 ARG A 26 11.584 13.902 7.538 1.00 2.23 H new ATOM 0 HD2 ARG A 26 13.599 12.898 6.610 1.00 20.54 H new ATOM 0 HD3 ARG A 26 12.756 12.389 5.161 1.00 20.54 H new ATOM 0 HE ARG A 26 12.931 15.314 5.754 1.00 12.51 H new ATOM 0 HH11 ARG A 26 13.906 12.560 3.718 1.00 54.03 H new ATOM 0 HH12 ARG A 26 14.563 13.599 2.449 1.00 54.03 H new ATOM 0 HH21 ARG A 26 13.762 16.604 4.086 1.00 63.22 H new ATOM 0 HH22 ARG A 26 14.481 15.857 2.656 1.00 63.22 H new ATOM 409 N GLN A 27 10.737 8.423 6.202 1.00 24.14 N ATOM 410 CA GLN A 27 10.155 7.083 6.361 1.00 4.44 C ATOM 411 C GLN A 27 9.583 6.871 7.775 1.00 62.22 C ATOM 412 O GLN A 27 10.326 6.907 8.769 1.00 62.02 O ATOM 413 CB GLN A 27 11.190 5.981 6.013 1.00 73.11 C ATOM 414 CG GLN A 27 11.637 5.986 4.531 1.00 33.21 C ATOM 415 CD GLN A 27 12.507 4.790 4.117 1.00 13.42 C ATOM 416 OE1 GLN A 27 12.459 4.344 2.967 1.00 63.31 O ATOM 417 NE2 GLN A 27 13.319 4.266 5.030 1.00 64.00 N ATOM 0 H GLN A 27 11.712 8.408 5.903 1.00 24.14 H new ATOM 0 HA GLN A 27 9.325 7.006 5.658 1.00 4.44 H new ATOM 0 HB2 GLN A 27 12.067 6.107 6.647 1.00 73.11 H new ATOM 0 HB3 GLN A 27 10.762 5.007 6.250 1.00 73.11 H new ATOM 0 HG2 GLN A 27 10.750 6.008 3.898 1.00 33.21 H new ATOM 0 HG3 GLN A 27 12.190 6.905 4.336 1.00 33.21 H new ATOM 0 HE21 GLN A 27 13.341 4.652 5.974 1.00 64.00 H new ATOM 0 HE22 GLN A 27 13.920 3.478 4.786 1.00 64.00 H new ATOM 426 N LEU A 28 8.250 6.677 7.833 1.00 44.03 N ATOM 427 CA LEU A 28 7.515 6.498 9.088 1.00 10.33 C ATOM 428 C LEU A 28 8.007 5.254 9.832 1.00 13.12 C ATOM 429 O LEU A 28 8.251 4.205 9.214 1.00 34.23 O ATOM 430 CB LEU A 28 5.990 6.385 8.826 1.00 15.34 C ATOM 431 CG LEU A 28 5.349 7.561 8.036 1.00 2.23 C ATOM 432 CD1 LEU A 28 3.839 7.344 7.867 1.00 74.12 C ATOM 433 CD2 LEU A 28 5.667 8.926 8.676 1.00 24.34 C ATOM 0 H LEU A 28 7.657 6.641 7.004 1.00 44.03 H new ATOM 0 HA LEU A 28 7.699 7.376 9.708 1.00 10.33 H new ATOM 0 HB2 LEU A 28 5.802 5.461 8.280 1.00 15.34 H new ATOM 0 HB3 LEU A 28 5.481 6.297 9.786 1.00 15.34 H new ATOM 0 HG LEU A 28 5.795 7.575 7.042 1.00 2.23 H new ATOM 0 HD11 LEU A 28 3.411 8.179 7.312 1.00 74.12 H new ATOM 0 HD12 LEU A 28 3.663 6.417 7.321 1.00 74.12 H new ATOM 0 HD13 LEU A 28 3.368 7.282 8.848 1.00 74.12 H new ATOM 0 HD21 LEU A 28 5.200 9.719 8.092 1.00 24.34 H new ATOM 0 HD22 LEU A 28 5.280 8.949 9.695 1.00 24.34 H new ATOM 0 HD23 LEU A 28 6.746 9.077 8.694 1.00 24.34 H new ATOM 445 N THR A 29 8.158 5.387 11.152 1.00 1.51 N ATOM 446 CA THR A 29 8.569 4.286 12.019 1.00 72.33 C ATOM 447 C THR A 29 7.415 3.276 12.140 1.00 11.34 C ATOM 448 O THR A 29 6.251 3.642 11.933 1.00 52.02 O ATOM 449 CB THR A 29 8.988 4.830 13.426 1.00 4.52 C ATOM 450 OG1 THR A 29 7.863 5.448 14.079 1.00 40.40 O ATOM 451 CG2 THR A 29 10.139 5.854 13.307 1.00 24.25 C ATOM 0 H THR A 29 7.998 6.264 11.648 1.00 1.51 H new ATOM 0 HA THR A 29 9.433 3.783 11.585 1.00 72.33 H new ATOM 0 HB THR A 29 9.334 3.984 14.020 1.00 4.52 H new ATOM 0 HG1 THR A 29 8.138 5.782 14.958 1.00 40.40 H new ATOM 0 HG21 THR A 29 10.409 6.215 14.299 1.00 24.25 H new ATOM 0 HG22 THR A 29 11.004 5.377 12.846 1.00 24.25 H new ATOM 0 HG23 THR A 29 9.817 6.694 12.691 1.00 24.25 H new ATOM 459 N ALA A 30 7.749 2.008 12.434 1.00 42.41 N ATOM 460 CA ALA A 30 6.758 0.934 12.639 1.00 24.22 C ATOM 461 C ALA A 30 5.729 1.326 13.708 1.00 54.25 C ATOM 462 O ALA A 30 4.548 1.033 13.557 1.00 31.11 O ATOM 463 CB ALA A 30 7.464 -0.375 13.022 1.00 71.44 C ATOM 0 H ALA A 30 8.715 1.697 12.537 1.00 42.41 H new ATOM 0 HA ALA A 30 6.223 0.782 11.702 1.00 24.22 H new ATOM 0 HB1 ALA A 30 6.721 -1.159 13.170 1.00 71.44 H new ATOM 0 HB2 ALA A 30 8.146 -0.668 12.224 1.00 71.44 H new ATOM 0 HB3 ALA A 30 8.026 -0.229 13.944 1.00 71.44 H new ATOM 469 N ASP A 31 6.215 2.005 14.769 1.00 60.41 N ATOM 470 CA ASP A 31 5.378 2.541 15.862 1.00 42.21 C ATOM 471 C ASP A 31 4.377 3.582 15.339 1.00 1.52 C ATOM 472 O ASP A 31 3.183 3.499 15.645 1.00 12.03 O ATOM 473 CB ASP A 31 6.263 3.179 16.973 1.00 51.10 C ATOM 474 CG ASP A 31 7.180 2.156 17.661 1.00 12.04 C ATOM 475 OD1 ASP A 31 8.180 1.734 17.040 1.00 41.32 O ATOM 476 OD2 ASP A 31 6.891 1.735 18.807 1.00 73.24 O ATOM 0 H ASP A 31 7.209 2.198 14.891 1.00 60.41 H new ATOM 0 HA ASP A 31 4.821 1.705 16.285 1.00 42.21 H new ATOM 0 HB2 ASP A 31 6.872 3.971 16.537 1.00 51.10 H new ATOM 0 HB3 ASP A 31 5.621 3.645 17.720 1.00 51.10 H new ATOM 481 N TYR A 32 4.876 4.555 14.536 1.00 33.53 N ATOM 482 CA TYR A 32 4.056 5.678 14.038 1.00 2.10 C ATOM 483 C TYR A 32 2.964 5.155 13.109 1.00 34.43 C ATOM 484 O TYR A 32 1.784 5.456 13.301 1.00 24.41 O ATOM 485 CB TYR A 32 4.919 6.739 13.296 1.00 61.21 C ATOM 486 CG TYR A 32 4.116 7.969 12.826 1.00 34.21 C ATOM 487 CD1 TYR A 32 3.854 9.029 13.697 1.00 41.33 C ATOM 488 CD2 TYR A 32 3.595 8.055 11.528 1.00 13.52 C ATOM 489 CE1 TYR A 32 3.112 10.119 13.289 1.00 61.44 C ATOM 490 CE2 TYR A 32 2.848 9.140 11.124 1.00 35.40 C ATOM 491 CZ TYR A 32 2.614 10.168 12.004 1.00 4.14 C ATOM 492 OH TYR A 32 1.858 11.248 11.606 1.00 61.45 O ATOM 0 H TYR A 32 5.846 4.580 14.221 1.00 33.53 H new ATOM 0 HA TYR A 32 3.601 6.164 14.901 1.00 2.10 H new ATOM 0 HB2 TYR A 32 5.721 7.070 13.957 1.00 61.21 H new ATOM 0 HB3 TYR A 32 5.391 6.272 12.432 1.00 61.21 H new ATOM 0 HD1 TYR A 32 4.238 8.995 14.706 1.00 41.33 H new ATOM 0 HD2 TYR A 32 3.783 7.253 10.829 1.00 13.52 H new ATOM 0 HE1 TYR A 32 2.922 10.932 13.975 1.00 61.44 H new ATOM 0 HE2 TYR A 32 2.449 9.182 10.121 1.00 35.40 H new ATOM 0 HH TYR A 32 1.585 11.130 10.672 1.00 61.45 H new ATOM 502 N PHE A 33 3.388 4.353 12.108 1.00 4.24 N ATOM 503 CA PHE A 33 2.490 3.746 11.115 1.00 42.43 C ATOM 504 C PHE A 33 1.409 2.912 11.813 1.00 13.41 C ATOM 505 O PHE A 33 0.255 2.947 11.405 1.00 33.11 O ATOM 506 CB PHE A 33 3.282 2.858 10.110 1.00 62.52 C ATOM 507 CG PHE A 33 2.407 2.183 9.034 1.00 45.51 C ATOM 508 CD1 PHE A 33 1.783 0.949 9.267 1.00 65.13 C ATOM 509 CD2 PHE A 33 2.189 2.789 7.802 1.00 71.21 C ATOM 510 CE1 PHE A 33 0.973 0.368 8.319 1.00 61.25 C ATOM 511 CE2 PHE A 33 1.382 2.193 6.848 1.00 34.40 C ATOM 512 CZ PHE A 33 0.775 0.986 7.106 1.00 12.00 C ATOM 0 H PHE A 33 4.369 4.110 11.970 1.00 4.24 H new ATOM 0 HA PHE A 33 2.014 4.552 10.557 1.00 42.43 H new ATOM 0 HB2 PHE A 33 4.036 3.472 9.616 1.00 62.52 H new ATOM 0 HB3 PHE A 33 3.814 2.086 10.666 1.00 62.52 H new ATOM 0 HD1 PHE A 33 1.941 0.445 10.209 1.00 65.13 H new ATOM 0 HD2 PHE A 33 2.656 3.739 7.586 1.00 71.21 H new ATOM 0 HE1 PHE A 33 0.491 -0.576 8.528 1.00 61.25 H new ATOM 0 HE2 PHE A 33 1.228 2.679 5.896 1.00 34.40 H new ATOM 0 HZ PHE A 33 0.145 0.525 6.359 1.00 12.00 H new ATOM 522 N GLU A 34 1.817 2.164 12.862 1.00 71.01 N ATOM 523 CA GLU A 34 0.929 1.251 13.600 1.00 22.22 C ATOM 524 C GLU A 34 -0.225 2.028 14.249 1.00 30.00 C ATOM 525 O GLU A 34 -1.391 1.722 14.009 1.00 63.31 O ATOM 526 CB GLU A 34 1.730 0.476 14.684 1.00 54.51 C ATOM 527 CG GLU A 34 0.960 -0.669 15.373 1.00 60.05 C ATOM 528 CD GLU A 34 0.428 -1.734 14.392 1.00 3.54 C ATOM 529 OE1 GLU A 34 1.248 -2.412 13.731 1.00 31.43 O ATOM 530 OE2 GLU A 34 -0.802 -1.902 14.274 1.00 12.32 O ATOM 0 H GLU A 34 2.773 2.179 13.218 1.00 71.01 H new ATOM 0 HA GLU A 34 0.510 0.534 12.894 1.00 22.22 H new ATOM 0 HB2 GLU A 34 2.628 0.064 14.224 1.00 54.51 H new ATOM 0 HB3 GLU A 34 2.058 1.183 15.446 1.00 54.51 H new ATOM 0 HG2 GLU A 34 1.615 -1.151 16.099 1.00 60.05 H new ATOM 0 HG3 GLU A 34 0.122 -0.249 15.929 1.00 60.05 H new ATOM 537 N LYS A 35 0.134 3.063 15.030 1.00 10.22 N ATOM 538 CA LYS A 35 -0.834 3.897 15.765 1.00 52.20 C ATOM 539 C LYS A 35 -1.779 4.631 14.795 1.00 13.14 C ATOM 540 O LYS A 35 -2.984 4.687 15.035 1.00 4.31 O ATOM 541 CB LYS A 35 -0.087 4.907 16.669 1.00 75.41 C ATOM 542 CG LYS A 35 0.774 4.252 17.774 1.00 11.20 C ATOM 543 CD LYS A 35 1.582 5.286 18.594 1.00 65.24 C ATOM 544 CE LYS A 35 2.573 6.090 17.729 1.00 11.24 C ATOM 545 NZ LYS A 35 3.392 7.027 18.538 1.00 11.42 N ATOM 0 H LYS A 35 1.104 3.345 15.169 1.00 10.22 H new ATOM 0 HA LYS A 35 -1.442 3.246 16.394 1.00 52.20 H new ATOM 0 HB2 LYS A 35 0.554 5.530 16.046 1.00 75.41 H new ATOM 0 HB3 LYS A 35 -0.817 5.568 17.137 1.00 75.41 H new ATOM 0 HG2 LYS A 35 0.127 3.687 18.446 1.00 11.20 H new ATOM 0 HG3 LYS A 35 1.461 3.539 17.319 1.00 11.20 H new ATOM 0 HD2 LYS A 35 0.893 5.974 19.083 1.00 65.24 H new ATOM 0 HD3 LYS A 35 2.130 4.770 19.382 1.00 65.24 H new ATOM 0 HE2 LYS A 35 3.230 5.402 17.198 1.00 11.24 H new ATOM 0 HE3 LYS A 35 2.022 6.651 16.974 1.00 11.24 H new ATOM 0 HZ1 LYS A 35 4.043 7.546 17.915 1.00 11.42 H new ATOM 0 HZ2 LYS A 35 2.768 7.702 19.025 1.00 11.42 H new ATOM 0 HZ3 LYS A 35 3.939 6.491 19.242 1.00 11.42 H new ATOM 559 N THR A 36 -1.208 5.158 13.684 1.00 55.21 N ATOM 560 CA THR A 36 -1.970 5.887 12.647 1.00 1.03 C ATOM 561 C THR A 36 -2.960 4.933 11.936 1.00 45.45 C ATOM 562 O THR A 36 -4.121 5.287 11.705 1.00 64.01 O ATOM 563 CB THR A 36 -1.012 6.568 11.601 1.00 31.34 C ATOM 564 OG1 THR A 36 -0.042 7.376 12.289 1.00 15.23 O ATOM 565 CG2 THR A 36 -1.768 7.462 10.594 1.00 72.33 C ATOM 0 H THR A 36 -0.210 5.089 13.485 1.00 55.21 H new ATOM 0 HA THR A 36 -2.536 6.677 13.141 1.00 1.03 H new ATOM 0 HB THR A 36 -0.531 5.764 11.043 1.00 31.34 H new ATOM 0 HG1 THR A 36 0.644 6.798 12.683 1.00 15.23 H new ATOM 0 HG21 THR A 36 -1.057 7.906 9.897 1.00 72.33 H new ATOM 0 HG22 THR A 36 -2.489 6.859 10.042 1.00 72.33 H new ATOM 0 HG23 THR A 36 -2.291 8.253 11.131 1.00 72.33 H new ATOM 573 N TRP A 37 -2.482 3.702 11.652 1.00 24.44 N ATOM 574 CA TRP A 37 -3.257 2.652 10.976 1.00 41.51 C ATOM 575 C TRP A 37 -4.488 2.282 11.821 1.00 23.54 C ATOM 576 O TRP A 37 -5.618 2.346 11.335 1.00 64.23 O ATOM 577 CB TRP A 37 -2.348 1.407 10.723 1.00 34.35 C ATOM 578 CG TRP A 37 -3.049 0.243 10.062 1.00 74.10 C ATOM 579 CD1 TRP A 37 -3.504 -0.900 10.663 1.00 0.31 C ATOM 580 CD2 TRP A 37 -3.390 0.124 8.673 1.00 61.33 C ATOM 581 NE1 TRP A 37 -4.115 -1.706 9.741 1.00 25.32 N ATOM 582 CE2 TRP A 37 -4.056 -1.105 8.512 1.00 13.43 C ATOM 583 CE3 TRP A 37 -3.201 0.942 7.554 1.00 61.33 C ATOM 584 CZ2 TRP A 37 -4.530 -1.535 7.281 1.00 21.14 C ATOM 585 CZ3 TRP A 37 -3.678 0.517 6.332 1.00 70.13 C ATOM 586 CH2 TRP A 37 -4.336 -0.710 6.203 1.00 44.42 C ATOM 0 H TRP A 37 -1.534 3.411 11.891 1.00 24.44 H new ATOM 0 HA TRP A 37 -3.609 3.020 10.012 1.00 41.51 H new ATOM 0 HB2 TRP A 37 -1.506 1.709 10.100 1.00 34.35 H new ATOM 0 HB3 TRP A 37 -1.937 1.074 11.676 1.00 34.35 H new ATOM 0 HD1 TRP A 37 -3.396 -1.132 11.712 1.00 0.31 H new ATOM 0 HE1 TRP A 37 -4.545 -2.610 9.938 1.00 25.32 H new ATOM 0 HE3 TRP A 37 -2.691 1.889 7.646 1.00 61.33 H new ATOM 0 HZ2 TRP A 37 -5.033 -2.485 7.176 1.00 21.14 H new ATOM 0 HZ3 TRP A 37 -3.541 1.141 5.461 1.00 70.13 H new ATOM 0 HH2 TRP A 37 -4.700 -1.015 5.233 1.00 44.42 H new ATOM 597 N LEU A 38 -4.254 1.958 13.107 1.00 61.21 N ATOM 598 CA LEU A 38 -5.324 1.577 14.054 1.00 44.10 C ATOM 599 C LEU A 38 -6.294 2.757 14.307 1.00 33.43 C ATOM 600 O LEU A 38 -7.491 2.545 14.551 1.00 54.13 O ATOM 601 CB LEU A 38 -4.711 1.082 15.398 1.00 43.40 C ATOM 602 CG LEU A 38 -3.671 -0.080 15.303 1.00 44.52 C ATOM 603 CD1 LEU A 38 -3.068 -0.411 16.685 1.00 11.42 C ATOM 604 CD2 LEU A 38 -4.266 -1.336 14.633 1.00 35.11 C ATOM 0 H LEU A 38 -3.321 1.952 13.520 1.00 61.21 H new ATOM 0 HA LEU A 38 -5.893 0.762 13.606 1.00 44.10 H new ATOM 0 HB2 LEU A 38 -4.232 1.930 15.887 1.00 43.40 H new ATOM 0 HB3 LEU A 38 -5.526 0.759 16.046 1.00 43.40 H new ATOM 0 HG LEU A 38 -2.861 0.269 14.663 1.00 44.52 H new ATOM 0 HD11 LEU A 38 -2.349 -1.223 16.583 1.00 11.42 H new ATOM 0 HD12 LEU A 38 -2.566 0.471 17.083 1.00 11.42 H new ATOM 0 HD13 LEU A 38 -3.863 -0.714 17.366 1.00 11.42 H new ATOM 0 HD21 LEU A 38 -3.508 -2.118 14.588 1.00 35.11 H new ATOM 0 HD22 LEU A 38 -5.118 -1.689 15.214 1.00 35.11 H new ATOM 0 HD23 LEU A 38 -4.593 -1.089 13.623 1.00 35.11 H new ATOM 616 N SER A 39 -5.762 3.998 14.224 1.00 33.23 N ATOM 617 CA SER A 39 -6.528 5.234 14.491 1.00 63.24 C ATOM 618 C SER A 39 -7.341 5.691 13.256 1.00 70.05 C ATOM 619 O SER A 39 -8.182 6.591 13.374 1.00 14.50 O ATOM 620 CB SER A 39 -5.574 6.363 14.966 1.00 74.43 C ATOM 621 OG SER A 39 -6.283 7.506 15.421 1.00 11.31 O ATOM 0 H SER A 39 -4.789 4.169 13.970 1.00 33.23 H new ATOM 0 HA SER A 39 -7.243 5.014 15.283 1.00 63.24 H new ATOM 0 HB2 SER A 39 -4.940 5.987 15.769 1.00 74.43 H new ATOM 0 HB3 SER A 39 -4.915 6.649 14.146 1.00 74.43 H new ATOM 0 HG SER A 39 -7.155 7.548 14.976 1.00 11.31 H new ATOM 627 N LEU A 40 -7.100 5.087 12.072 1.00 5.51 N ATOM 628 CA LEU A 40 -7.882 5.366 10.847 1.00 75.20 C ATOM 629 C LEU A 40 -8.765 4.152 10.515 1.00 44.31 C ATOM 630 O LEU A 40 -8.495 3.036 10.973 1.00 71.31 O ATOM 631 CB LEU A 40 -6.930 5.688 9.665 1.00 64.34 C ATOM 632 CG LEU A 40 -6.094 6.996 9.816 1.00 31.33 C ATOM 633 CD1 LEU A 40 -5.059 7.116 8.694 1.00 71.54 C ATOM 634 CD2 LEU A 40 -7.005 8.245 9.872 1.00 42.14 C ATOM 0 H LEU A 40 -6.362 4.396 11.938 1.00 5.51 H new ATOM 0 HA LEU A 40 -8.521 6.233 11.016 1.00 75.20 H new ATOM 0 HB2 LEU A 40 -6.244 4.851 9.535 1.00 64.34 H new ATOM 0 HB3 LEU A 40 -7.522 5.759 8.753 1.00 64.34 H new ATOM 0 HG LEU A 40 -5.558 6.940 10.763 1.00 31.33 H new ATOM 0 HD11 LEU A 40 -4.489 8.036 8.822 1.00 71.54 H new ATOM 0 HD12 LEU A 40 -4.382 6.262 8.730 1.00 71.54 H new ATOM 0 HD13 LEU A 40 -5.568 7.135 7.730 1.00 71.54 H new ATOM 0 HD21 LEU A 40 -6.391 9.139 9.977 1.00 42.14 H new ATOM 0 HD22 LEU A 40 -7.588 8.312 8.953 1.00 42.14 H new ATOM 0 HD23 LEU A 40 -7.679 8.166 10.725 1.00 42.14 H new ATOM 646 N LYS A 41 -9.808 4.378 9.707 1.00 20.34 N ATOM 647 CA LYS A 41 -10.786 3.345 9.297 1.00 72.01 C ATOM 648 C LYS A 41 -10.847 3.312 7.764 1.00 63.42 C ATOM 649 O LYS A 41 -10.561 4.325 7.118 1.00 54.14 O ATOM 650 CB LYS A 41 -12.174 3.649 9.917 1.00 62.35 C ATOM 651 CG LYS A 41 -12.195 3.636 11.465 1.00 63.11 C ATOM 652 CD LYS A 41 -13.536 4.138 12.048 1.00 53.34 C ATOM 653 CE LYS A 41 -13.566 4.135 13.587 1.00 64.21 C ATOM 654 NZ LYS A 41 -14.825 4.731 14.111 1.00 44.12 N ATOM 0 H LYS A 41 -10.005 5.296 9.310 1.00 20.34 H new ATOM 0 HA LYS A 41 -10.477 2.364 9.659 1.00 72.01 H new ATOM 0 HB2 LYS A 41 -12.509 4.626 9.569 1.00 62.35 H new ATOM 0 HB3 LYS A 41 -12.892 2.916 9.549 1.00 62.35 H new ATOM 0 HG2 LYS A 41 -12.007 2.622 11.818 1.00 63.11 H new ATOM 0 HG3 LYS A 41 -11.384 4.260 11.840 1.00 63.11 H new ATOM 0 HD2 LYS A 41 -13.725 5.150 11.689 1.00 53.34 H new ATOM 0 HD3 LYS A 41 -14.345 3.511 11.674 1.00 53.34 H new ATOM 0 HE2 LYS A 41 -13.467 3.112 13.952 1.00 64.21 H new ATOM 0 HE3 LYS A 41 -12.712 4.693 13.969 1.00 64.21 H new ATOM 0 HZ1 LYS A 41 -14.811 4.713 15.151 1.00 44.12 H new ATOM 0 HZ2 LYS A 41 -14.906 5.715 13.783 1.00 44.12 H new ATOM 0 HZ3 LYS A 41 -15.639 4.183 13.766 1.00 44.12 H new ATOM 668 N VAL A 42 -11.200 2.137 7.198 1.00 43.11 N ATOM 669 CA VAL A 42 -11.056 1.839 5.753 1.00 54.12 C ATOM 670 C VAL A 42 -11.747 2.898 4.863 1.00 31.43 C ATOM 671 O VAL A 42 -12.966 3.097 4.942 1.00 3.34 O ATOM 672 CB VAL A 42 -11.577 0.382 5.419 1.00 30.13 C ATOM 673 CG1 VAL A 42 -11.492 0.056 3.904 1.00 13.04 C ATOM 674 CG2 VAL A 42 -10.802 -0.675 6.247 1.00 51.01 C ATOM 0 H VAL A 42 -11.595 1.363 7.732 1.00 43.11 H new ATOM 0 HA VAL A 42 -9.991 1.881 5.524 1.00 54.12 H new ATOM 0 HB VAL A 42 -12.631 0.348 5.695 1.00 30.13 H new ATOM 0 HG11 VAL A 42 -11.861 -0.954 3.728 1.00 13.04 H new ATOM 0 HG12 VAL A 42 -12.100 0.767 3.344 1.00 13.04 H new ATOM 0 HG13 VAL A 42 -10.455 0.126 3.574 1.00 13.04 H new ATOM 0 HG21 VAL A 42 -11.173 -1.671 6.005 1.00 51.01 H new ATOM 0 HG22 VAL A 42 -9.740 -0.616 6.009 1.00 51.01 H new ATOM 0 HG23 VAL A 42 -10.947 -0.482 7.310 1.00 51.01 H new ATOM 684 N ALA A 43 -10.924 3.579 4.039 1.00 73.31 N ATOM 685 CA ALA A 43 -11.377 4.621 3.109 1.00 12.53 C ATOM 686 C ALA A 43 -11.887 3.958 1.831 1.00 60.02 C ATOM 687 O ALA A 43 -12.922 4.354 1.287 1.00 75.44 O ATOM 688 CB ALA A 43 -10.231 5.603 2.803 1.00 5.43 C ATOM 0 H ALA A 43 -9.918 3.416 4.004 1.00 73.31 H new ATOM 0 HA ALA A 43 -12.188 5.192 3.562 1.00 12.53 H new ATOM 0 HB1 ALA A 43 -10.583 6.369 2.112 1.00 5.43 H new ATOM 0 HB2 ALA A 43 -9.898 6.074 3.728 1.00 5.43 H new ATOM 0 HB3 ALA A 43 -9.399 5.062 2.352 1.00 5.43 H new ATOM 694 N HIS A 44 -11.143 2.933 1.373 1.00 13.41 N ATOM 695 CA HIS A 44 -11.562 2.066 0.265 1.00 1.30 C ATOM 696 C HIS A 44 -10.947 0.662 0.426 1.00 63.25 C ATOM 697 O HIS A 44 -9.839 0.514 0.956 1.00 31.25 O ATOM 698 CB HIS A 44 -11.148 2.695 -1.090 1.00 4.22 C ATOM 699 CG HIS A 44 -11.602 1.927 -2.306 1.00 33.42 C ATOM 700 ND1 HIS A 44 -12.847 2.113 -2.850 1.00 61.15 N ATOM 701 CD2 HIS A 44 -10.950 0.986 -3.028 1.00 44.10 C ATOM 702 CE1 HIS A 44 -12.912 1.299 -3.888 1.00 62.24 C ATOM 703 NE2 HIS A 44 -11.785 0.598 -4.031 1.00 61.12 N ATOM 0 H HIS A 44 -10.234 2.686 1.764 1.00 13.41 H new ATOM 0 HA HIS A 44 -12.648 1.969 0.282 1.00 1.30 H new ATOM 0 HB2 HIS A 44 -11.551 3.706 -1.144 1.00 4.22 H new ATOM 0 HB3 HIS A 44 -10.062 2.783 -1.117 1.00 4.22 H new ATOM 0 HD2 HIS A 44 -9.954 0.613 -2.843 1.00 44.10 H new ATOM 0 HE1 HIS A 44 -13.769 1.212 -4.539 1.00 62.24 H new ATOM 0 HE2 HIS A 44 -11.587 -0.095 -4.753 1.00 61.12 H new ATOM 711 N GLN A 45 -11.687 -0.354 -0.045 1.00 30.32 N ATOM 712 CA GLN A 45 -11.228 -1.747 -0.120 1.00 45.21 C ATOM 713 C GLN A 45 -11.321 -2.197 -1.586 1.00 0.15 C ATOM 714 O GLN A 45 -12.406 -2.188 -2.181 1.00 51.12 O ATOM 715 CB GLN A 45 -12.085 -2.675 0.784 1.00 42.13 C ATOM 716 CG GLN A 45 -11.755 -4.184 0.639 1.00 3.11 C ATOM 717 CD GLN A 45 -10.324 -4.566 1.029 1.00 61.02 C ATOM 718 OE1 GLN A 45 -9.725 -5.460 0.431 1.00 51.22 O ATOM 719 NE2 GLN A 45 -9.785 -3.955 2.077 1.00 2.23 N ATOM 0 H GLN A 45 -12.638 -0.226 -0.390 1.00 30.32 H new ATOM 0 HA GLN A 45 -10.200 -1.812 0.237 1.00 45.21 H new ATOM 0 HB2 GLN A 45 -11.944 -2.382 1.824 1.00 42.13 H new ATOM 0 HB3 GLN A 45 -13.138 -2.521 0.550 1.00 42.13 H new ATOM 0 HG2 GLN A 45 -12.450 -4.755 1.255 1.00 3.11 H new ATOM 0 HG3 GLN A 45 -11.927 -4.482 -0.395 1.00 3.11 H new ATOM 0 HE21 GLN A 45 -10.300 -3.217 2.557 1.00 2.23 H new ATOM 0 HE22 GLN A 45 -8.856 -4.224 2.402 1.00 2.23 H new ATOM 728 N GLN A 46 -10.170 -2.557 -2.155 1.00 31.14 N ATOM 729 CA GLN A 46 -10.039 -3.016 -3.552 1.00 43.24 C ATOM 730 C GLN A 46 -9.367 -4.392 -3.528 1.00 45.52 C ATOM 731 O GLN A 46 -8.548 -4.642 -2.671 1.00 63.41 O ATOM 732 CB GLN A 46 -9.216 -1.959 -4.357 1.00 41.01 C ATOM 733 CG GLN A 46 -9.495 -1.892 -5.878 1.00 62.13 C ATOM 734 CD GLN A 46 -8.813 -2.976 -6.710 1.00 32.23 C ATOM 735 OE1 GLN A 46 -9.382 -4.026 -6.992 1.00 0.13 O ATOM 736 NE2 GLN A 46 -7.578 -2.724 -7.093 1.00 15.12 N ATOM 0 H GLN A 46 -9.282 -2.540 -1.654 1.00 31.14 H new ATOM 0 HA GLN A 46 -11.006 -3.114 -4.045 1.00 43.24 H new ATOM 0 HB2 GLN A 46 -9.410 -0.975 -3.929 1.00 41.01 H new ATOM 0 HB3 GLN A 46 -8.156 -2.167 -4.212 1.00 41.01 H new ATOM 0 HG2 GLN A 46 -10.571 -1.957 -6.037 1.00 62.13 H new ATOM 0 HG3 GLN A 46 -9.176 -0.917 -6.248 1.00 62.13 H new ATOM 0 HE21 GLN A 46 -7.136 -1.840 -6.840 1.00 15.12 H new ATOM 0 HE22 GLN A 46 -7.064 -3.413 -7.642 1.00 15.12 H new ATOM 745 N VAL A 47 -9.738 -5.290 -4.446 1.00 71.40 N ATOM 746 CA VAL A 47 -9.269 -6.693 -4.449 1.00 44.42 C ATOM 747 C VAL A 47 -8.818 -7.072 -5.871 1.00 41.45 C ATOM 748 O VAL A 47 -9.568 -6.871 -6.824 1.00 42.44 O ATOM 749 CB VAL A 47 -10.409 -7.673 -3.955 1.00 11.03 C ATOM 750 CG1 VAL A 47 -9.974 -9.152 -4.033 1.00 45.02 C ATOM 751 CG2 VAL A 47 -10.878 -7.325 -2.519 1.00 11.45 C ATOM 0 H VAL A 47 -10.374 -5.071 -5.213 1.00 71.40 H new ATOM 0 HA VAL A 47 -8.429 -6.787 -3.761 1.00 44.42 H new ATOM 0 HB VAL A 47 -11.251 -7.535 -4.633 1.00 11.03 H new ATOM 0 HG11 VAL A 47 -10.787 -9.789 -3.684 1.00 45.02 H new ATOM 0 HG12 VAL A 47 -9.731 -9.406 -5.065 1.00 45.02 H new ATOM 0 HG13 VAL A 47 -9.097 -9.307 -3.405 1.00 45.02 H new ATOM 0 HG21 VAL A 47 -11.661 -8.019 -2.214 1.00 11.45 H new ATOM 0 HG22 VAL A 47 -10.035 -7.404 -1.832 1.00 11.45 H new ATOM 0 HG23 VAL A 47 -11.268 -6.307 -2.500 1.00 11.45 H new ATOM 761 N LEU A 48 -7.597 -7.626 -6.009 1.00 11.34 N ATOM 762 CA LEU A 48 -7.027 -8.071 -7.299 1.00 62.43 C ATOM 763 C LEU A 48 -6.716 -9.576 -7.223 1.00 31.20 C ATOM 764 O LEU A 48 -6.269 -10.038 -6.178 1.00 65.42 O ATOM 765 CB LEU A 48 -5.720 -7.286 -7.617 1.00 63.34 C ATOM 766 CG LEU A 48 -5.893 -5.765 -7.892 1.00 13.23 C ATOM 767 CD1 LEU A 48 -4.533 -5.081 -8.116 1.00 64.03 C ATOM 768 CD2 LEU A 48 -6.851 -5.526 -9.080 1.00 41.55 C ATOM 0 H LEU A 48 -6.970 -7.779 -5.219 1.00 11.34 H new ATOM 0 HA LEU A 48 -7.751 -7.880 -8.091 1.00 62.43 H new ATOM 0 HB2 LEU A 48 -5.032 -7.409 -6.780 1.00 63.34 H new ATOM 0 HB3 LEU A 48 -5.248 -7.742 -8.487 1.00 63.34 H new ATOM 0 HG LEU A 48 -6.342 -5.311 -7.008 1.00 13.23 H new ATOM 0 HD11 LEU A 48 -4.687 -4.019 -8.306 1.00 64.03 H new ATOM 0 HD12 LEU A 48 -3.913 -5.205 -7.228 1.00 64.03 H new ATOM 0 HD13 LEU A 48 -4.035 -5.534 -8.973 1.00 64.03 H new ATOM 0 HD21 LEU A 48 -6.956 -4.455 -9.253 1.00 41.55 H new ATOM 0 HD22 LEU A 48 -6.447 -6.000 -9.974 1.00 41.55 H new ATOM 0 HD23 LEU A 48 -7.827 -5.954 -8.852 1.00 41.55 H new ATOM 780 N PRO A 49 -6.940 -10.373 -8.313 1.00 1.22 N ATOM 781 CA PRO A 49 -6.546 -11.794 -8.333 1.00 40.04 C ATOM 782 C PRO A 49 -5.032 -11.937 -8.633 1.00 51.13 C ATOM 783 O PRO A 49 -4.510 -11.286 -9.544 1.00 2.32 O ATOM 784 CB PRO A 49 -7.438 -12.378 -9.460 1.00 21.14 C ATOM 785 CG PRO A 49 -7.630 -11.241 -10.430 1.00 13.53 C ATOM 786 CD PRO A 49 -7.573 -9.956 -9.605 1.00 64.42 C ATOM 0 HA PRO A 49 -6.687 -12.312 -7.384 1.00 40.04 H new ATOM 0 HB2 PRO A 49 -6.959 -13.231 -9.941 1.00 21.14 H new ATOM 0 HB3 PRO A 49 -8.393 -12.728 -9.067 1.00 21.14 H new ATOM 0 HG2 PRO A 49 -6.853 -11.247 -11.194 1.00 13.53 H new ATOM 0 HG3 PRO A 49 -8.586 -11.329 -10.947 1.00 13.53 H new ATOM 0 HD2 PRO A 49 -6.985 -9.187 -10.106 1.00 64.42 H new ATOM 0 HD3 PRO A 49 -8.568 -9.542 -9.445 1.00 64.42 H new ATOM 794 N TRP A 50 -4.323 -12.742 -7.823 1.00 12.05 N ATOM 795 CA TRP A 50 -2.901 -13.070 -8.053 1.00 52.53 C ATOM 796 C TRP A 50 -2.839 -14.421 -8.795 1.00 24.41 C ATOM 797 O TRP A 50 -3.758 -15.235 -8.670 1.00 41.32 O ATOM 798 CB TRP A 50 -2.132 -13.116 -6.703 1.00 1.04 C ATOM 799 CG TRP A 50 -0.622 -13.172 -6.853 1.00 12.24 C ATOM 800 CD1 TRP A 50 0.164 -14.291 -6.907 1.00 50.31 C ATOM 801 CD2 TRP A 50 0.281 -12.051 -6.972 1.00 14.33 C ATOM 802 NE1 TRP A 50 1.476 -13.936 -7.067 1.00 54.51 N ATOM 803 CE2 TRP A 50 1.577 -12.574 -7.099 1.00 10.41 C ATOM 804 CE3 TRP A 50 0.119 -10.662 -6.981 1.00 2.42 C ATOM 805 CZ2 TRP A 50 2.703 -11.765 -7.233 1.00 31.24 C ATOM 806 CZ3 TRP A 50 1.241 -9.856 -7.116 1.00 73.44 C ATOM 807 CH2 TRP A 50 2.520 -10.411 -7.240 1.00 32.34 C ATOM 0 H TRP A 50 -4.716 -13.184 -6.992 1.00 12.05 H new ATOM 0 HA TRP A 50 -2.422 -12.304 -8.662 1.00 52.53 H new ATOM 0 HB2 TRP A 50 -2.396 -12.236 -6.116 1.00 1.04 H new ATOM 0 HB3 TRP A 50 -2.463 -13.987 -6.138 1.00 1.04 H new ATOM 0 HD1 TRP A 50 -0.198 -15.306 -6.834 1.00 50.31 H new ATOM 0 HE1 TRP A 50 2.257 -14.587 -7.150 1.00 54.51 H new ATOM 0 HE3 TRP A 50 -0.863 -10.223 -6.884 1.00 2.42 H new ATOM 0 HZ2 TRP A 50 3.689 -12.194 -7.328 1.00 31.24 H new ATOM 0 HZ3 TRP A 50 1.125 -8.782 -7.126 1.00 73.44 H new ATOM 0 HH2 TRP A 50 3.375 -9.759 -7.343 1.00 32.34 H new ATOM 818 N ARG A 51 -1.766 -14.665 -9.555 1.00 74.22 N ATOM 819 CA ARG A 51 -1.656 -15.849 -10.422 1.00 3.42 C ATOM 820 C ARG A 51 -0.347 -16.604 -10.122 1.00 63.12 C ATOM 821 O ARG A 51 0.733 -16.167 -10.525 1.00 74.50 O ATOM 822 CB ARG A 51 -1.727 -15.392 -11.908 1.00 3.32 C ATOM 823 CG ARG A 51 -1.969 -16.525 -12.924 1.00 43.41 C ATOM 824 CD ARG A 51 -2.051 -16.017 -14.377 1.00 12.34 C ATOM 825 NE ARG A 51 -2.579 -17.042 -15.298 1.00 1.24 N ATOM 826 CZ ARG A 51 -3.689 -16.914 -16.048 1.00 14.31 C ATOM 827 NH1 ARG A 51 -4.407 -15.793 -16.022 1.00 61.31 N ATOM 828 NH2 ARG A 51 -4.080 -17.919 -16.817 1.00 63.32 N ATOM 0 H ARG A 51 -0.951 -14.052 -9.588 1.00 74.22 H new ATOM 0 HA ARG A 51 -2.480 -16.536 -10.229 1.00 3.42 H new ATOM 0 HB2 ARG A 51 -2.525 -14.656 -12.009 1.00 3.32 H new ATOM 0 HB3 ARG A 51 -0.795 -14.888 -12.163 1.00 3.32 H new ATOM 0 HG2 ARG A 51 -1.164 -17.256 -12.844 1.00 43.41 H new ATOM 0 HG3 ARG A 51 -2.895 -17.041 -12.672 1.00 43.41 H new ATOM 0 HD2 ARG A 51 -2.688 -15.134 -14.416 1.00 12.34 H new ATOM 0 HD3 ARG A 51 -1.059 -15.709 -14.709 1.00 12.34 H new ATOM 0 HE ARG A 51 -2.061 -17.918 -15.372 1.00 1.24 H new ATOM 0 HH11 ARG A 51 -4.118 -15.016 -15.428 1.00 61.31 H new ATOM 0 HH12 ARG A 51 -5.246 -15.711 -16.596 1.00 61.31 H new ATOM 0 HH21 ARG A 51 -3.541 -18.784 -16.839 1.00 63.32 H new ATOM 0 HH22 ARG A 51 -4.921 -17.828 -17.388 1.00 63.32 H new ATOM 842 N GLY A 52 -0.459 -17.727 -9.392 1.00 24.54 N ATOM 843 CA GLY A 52 0.683 -18.583 -9.070 1.00 32.12 C ATOM 844 C GLY A 52 1.468 -18.093 -7.859 1.00 64.43 C ATOM 845 O GLY A 52 0.872 -17.597 -6.896 1.00 1.31 O ATOM 0 H GLY A 52 -1.344 -18.062 -9.012 1.00 24.54 H new ATOM 0 HA2 GLY A 52 0.329 -19.597 -8.882 1.00 32.12 H new ATOM 0 HA3 GLY A 52 1.348 -18.633 -9.932 1.00 32.12 H new ATOM 849 N GLU A 53 2.804 -18.230 -7.921 1.00 5.30 N ATOM 850 CA GLU A 53 3.723 -17.910 -6.806 1.00 4.11 C ATOM 851 C GLU A 53 3.892 -16.399 -6.622 1.00 62.32 C ATOM 852 O GLU A 53 3.900 -15.656 -7.599 1.00 65.41 O ATOM 853 CB GLU A 53 5.094 -18.588 -7.064 1.00 31.42 C ATOM 854 CG GLU A 53 5.059 -20.127 -7.006 1.00 44.22 C ATOM 855 CD GLU A 53 4.669 -20.658 -5.618 1.00 51.42 C ATOM 856 OE1 GLU A 53 5.561 -20.800 -4.755 1.00 51.52 O ATOM 857 OE2 GLU A 53 3.471 -20.912 -5.365 1.00 71.20 O ATOM 0 H GLU A 53 3.285 -18.569 -8.754 1.00 5.30 H new ATOM 0 HA GLU A 53 3.292 -18.295 -5.882 1.00 4.11 H new ATOM 0 HB2 GLU A 53 5.460 -18.281 -8.044 1.00 31.42 H new ATOM 0 HB3 GLU A 53 5.811 -18.224 -6.328 1.00 31.42 H new ATOM 0 HG2 GLU A 53 4.350 -20.499 -7.745 1.00 44.22 H new ATOM 0 HG3 GLU A 53 6.039 -20.519 -7.279 1.00 44.22 H new ATOM 864 N PHE A 54 4.039 -15.953 -5.360 1.00 20.40 N ATOM 865 CA PHE A 54 4.092 -14.522 -5.020 1.00 1.15 C ATOM 866 C PHE A 54 5.507 -13.942 -5.228 1.00 13.03 C ATOM 867 O PHE A 54 6.505 -14.597 -4.938 1.00 35.40 O ATOM 868 CB PHE A 54 3.611 -14.257 -3.563 1.00 23.32 C ATOM 869 CG PHE A 54 3.231 -12.792 -3.369 1.00 51.14 C ATOM 870 CD1 PHE A 54 4.163 -11.839 -2.987 1.00 3.15 C ATOM 871 CD2 PHE A 54 1.952 -12.363 -3.676 1.00 64.35 C ATOM 872 CE1 PHE A 54 3.821 -10.511 -2.922 1.00 32.33 C ATOM 873 CE2 PHE A 54 1.607 -11.045 -3.590 1.00 11.52 C ATOM 874 CZ PHE A 54 2.543 -10.116 -3.225 1.00 13.31 C ATOM 0 H PHE A 54 4.124 -16.572 -4.553 1.00 20.40 H new ATOM 0 HA PHE A 54 3.409 -14.013 -5.700 1.00 1.15 H new ATOM 0 HB2 PHE A 54 2.753 -14.891 -3.339 1.00 23.32 H new ATOM 0 HB3 PHE A 54 4.400 -14.528 -2.861 1.00 23.32 H new ATOM 0 HD1 PHE A 54 5.168 -12.145 -2.738 1.00 3.15 H new ATOM 0 HD2 PHE A 54 1.212 -13.085 -3.990 1.00 64.35 H new ATOM 0 HE1 PHE A 54 4.558 -9.777 -2.632 1.00 32.33 H new ATOM 0 HE2 PHE A 54 0.596 -10.736 -3.810 1.00 11.52 H new ATOM 0 HZ PHE A 54 2.275 -9.071 -3.175 1.00 13.31 H new ATOM 884 N HIS A 55 5.564 -12.680 -5.705 1.00 52.34 N ATOM 885 CA HIS A 55 6.818 -11.948 -5.980 1.00 15.13 C ATOM 886 C HIS A 55 6.891 -10.671 -5.091 1.00 12.33 C ATOM 887 O HIS A 55 6.497 -9.589 -5.542 1.00 72.35 O ATOM 888 CB HIS A 55 6.890 -11.569 -7.489 1.00 41.14 C ATOM 889 CG HIS A 55 6.794 -12.734 -8.443 1.00 14.13 C ATOM 890 ND1 HIS A 55 7.852 -13.183 -9.200 1.00 72.50 N ATOM 891 CD2 HIS A 55 5.750 -13.530 -8.769 1.00 12.02 C ATOM 892 CE1 HIS A 55 7.460 -14.194 -9.941 1.00 72.50 C ATOM 893 NE2 HIS A 55 6.191 -14.429 -9.699 1.00 74.13 N ATOM 0 H HIS A 55 4.728 -12.134 -5.913 1.00 52.34 H new ATOM 0 HA HIS A 55 7.668 -12.587 -5.741 1.00 15.13 H new ATOM 0 HB2 HIS A 55 6.085 -10.869 -7.711 1.00 41.14 H new ATOM 0 HB3 HIS A 55 7.828 -11.045 -7.672 1.00 41.14 H new ATOM 0 HD2 HIS A 55 4.750 -13.467 -8.367 1.00 12.02 H new ATOM 0 HE1 HIS A 55 8.080 -14.742 -10.635 1.00 72.50 H new ATOM 0 HE2 HIS A 55 5.628 -15.161 -10.133 1.00 74.13 H new ATOM 902 N PRO A 56 7.358 -10.784 -3.795 1.00 51.42 N ATOM 903 CA PRO A 56 7.371 -9.645 -2.833 1.00 20.42 C ATOM 904 C PRO A 56 8.548 -8.674 -3.039 1.00 44.15 C ATOM 905 O PRO A 56 8.413 -7.476 -2.774 1.00 44.33 O ATOM 906 CB PRO A 56 7.455 -10.360 -1.470 1.00 75.13 C ATOM 907 CG PRO A 56 8.260 -11.594 -1.748 1.00 73.13 C ATOM 908 CD PRO A 56 7.895 -12.028 -3.162 1.00 21.21 C ATOM 0 HA PRO A 56 6.498 -9.002 -2.946 1.00 20.42 H new ATOM 0 HB2 PRO A 56 7.936 -9.732 -0.720 1.00 75.13 H new ATOM 0 HB3 PRO A 56 6.464 -10.609 -1.089 1.00 75.13 H new ATOM 0 HG2 PRO A 56 9.328 -11.389 -1.667 1.00 73.13 H new ATOM 0 HG3 PRO A 56 8.030 -12.379 -1.028 1.00 73.13 H new ATOM 0 HD2 PRO A 56 8.764 -12.407 -3.700 1.00 21.21 H new ATOM 0 HD3 PRO A 56 7.152 -12.825 -3.156 1.00 21.21 H new ATOM 916 N ASP A 57 9.704 -9.211 -3.482 1.00 64.32 N ATOM 917 CA ASP A 57 10.891 -8.404 -3.814 1.00 2.23 C ATOM 918 C ASP A 57 10.635 -7.615 -5.092 1.00 2.54 C ATOM 919 O ASP A 57 10.944 -6.434 -5.153 1.00 44.53 O ATOM 920 CB ASP A 57 12.155 -9.286 -3.982 1.00 44.31 C ATOM 921 CG ASP A 57 12.569 -9.983 -2.680 1.00 62.42 C ATOM 922 OD1 ASP A 57 11.975 -11.024 -2.342 1.00 2.24 O ATOM 923 OD2 ASP A 57 13.500 -9.498 -1.994 1.00 41.34 O ATOM 0 H ASP A 57 9.838 -10.213 -3.618 1.00 64.32 H new ATOM 0 HA ASP A 57 11.073 -7.718 -2.987 1.00 2.23 H new ATOM 0 HB2 ASP A 57 11.969 -10.038 -4.748 1.00 44.31 H new ATOM 0 HB3 ASP A 57 12.980 -8.668 -4.336 1.00 44.31 H new ATOM 928 N THR A 58 10.020 -8.284 -6.092 1.00 1.14 N ATOM 929 CA THR A 58 9.679 -7.666 -7.386 1.00 33.22 C ATOM 930 C THR A 58 8.641 -6.551 -7.166 1.00 54.55 C ATOM 931 O THR A 58 8.737 -5.465 -7.759 1.00 71.44 O ATOM 932 CB THR A 58 9.129 -8.741 -8.385 1.00 72.13 C ATOM 933 OG1 THR A 58 10.059 -9.839 -8.472 1.00 75.14 O ATOM 934 CG2 THR A 58 8.881 -8.172 -9.797 1.00 54.42 C ATOM 0 H THR A 58 9.748 -9.265 -6.022 1.00 1.14 H new ATOM 0 HA THR A 58 10.580 -7.234 -7.821 1.00 33.22 H new ATOM 0 HB THR A 58 8.168 -9.078 -7.996 1.00 72.13 H new ATOM 0 HG1 THR A 58 9.714 -10.512 -9.095 1.00 75.14 H new ATOM 0 HG21 THR A 58 8.501 -8.961 -10.446 1.00 54.42 H new ATOM 0 HG22 THR A 58 8.151 -7.365 -9.741 1.00 54.42 H new ATOM 0 HG23 THR A 58 9.816 -7.787 -10.204 1.00 54.42 H new ATOM 942 N LEU A 59 7.678 -6.838 -6.260 1.00 53.24 N ATOM 943 CA LEU A 59 6.641 -5.886 -5.847 1.00 34.35 C ATOM 944 C LEU A 59 7.285 -4.665 -5.178 1.00 21.34 C ATOM 945 O LEU A 59 7.080 -3.549 -5.634 1.00 30.05 O ATOM 946 CB LEU A 59 5.625 -6.578 -4.895 1.00 21.13 C ATOM 947 CG LEU A 59 4.380 -5.737 -4.465 1.00 43.43 C ATOM 948 CD1 LEU A 59 3.517 -5.309 -5.671 1.00 24.02 C ATOM 949 CD2 LEU A 59 3.538 -6.500 -3.425 1.00 23.13 C ATOM 0 H LEU A 59 7.605 -7.744 -5.797 1.00 53.24 H new ATOM 0 HA LEU A 59 6.098 -5.544 -6.728 1.00 34.35 H new ATOM 0 HB2 LEU A 59 5.270 -7.488 -5.379 1.00 21.13 H new ATOM 0 HB3 LEU A 59 6.157 -6.883 -3.994 1.00 21.13 H new ATOM 0 HG LEU A 59 4.754 -4.823 -4.004 1.00 43.43 H new ATOM 0 HD11 LEU A 59 2.665 -4.727 -5.320 1.00 24.02 H new ATOM 0 HD12 LEU A 59 4.116 -4.702 -6.350 1.00 24.02 H new ATOM 0 HD13 LEU A 59 3.160 -6.195 -6.196 1.00 24.02 H new ATOM 0 HD21 LEU A 59 2.677 -5.896 -3.140 1.00 23.13 H new ATOM 0 HD22 LEU A 59 3.195 -7.441 -3.854 1.00 23.13 H new ATOM 0 HD23 LEU A 59 4.146 -6.704 -2.543 1.00 23.13 H new ATOM 961 N GLN A 60 8.136 -4.921 -4.156 1.00 52.34 N ATOM 962 CA GLN A 60 8.776 -3.873 -3.332 1.00 40.52 C ATOM 963 C GLN A 60 9.651 -2.943 -4.190 1.00 21.32 C ATOM 964 O GLN A 60 9.569 -1.724 -4.052 1.00 14.24 O ATOM 965 CB GLN A 60 9.627 -4.513 -2.205 1.00 61.30 C ATOM 966 CG GLN A 60 10.295 -3.499 -1.245 1.00 71.52 C ATOM 967 CD GLN A 60 11.006 -4.156 -0.056 1.00 63.42 C ATOM 968 OE1 GLN A 60 10.592 -5.202 0.430 1.00 24.23 O ATOM 969 NE2 GLN A 60 12.079 -3.550 0.418 1.00 71.14 N ATOM 0 H GLN A 60 8.398 -5.867 -3.880 1.00 52.34 H new ATOM 0 HA GLN A 60 7.983 -3.275 -2.883 1.00 40.52 H new ATOM 0 HB2 GLN A 60 8.992 -5.180 -1.622 1.00 61.30 H new ATOM 0 HB3 GLN A 60 10.403 -5.129 -2.659 1.00 61.30 H new ATOM 0 HG2 GLN A 60 11.016 -2.903 -1.804 1.00 71.52 H new ATOM 0 HG3 GLN A 60 9.536 -2.812 -0.870 1.00 71.52 H new ATOM 0 HE21 GLN A 60 12.402 -2.680 -0.005 1.00 71.14 H new ATOM 0 HE22 GLN A 60 12.585 -3.952 1.207 1.00 71.14 H new ATOM 978 N MET A 61 10.467 -3.543 -5.081 1.00 2.54 N ATOM 979 CA MET A 61 11.392 -2.807 -5.966 1.00 10.12 C ATOM 980 C MET A 61 10.608 -1.886 -6.917 1.00 52.01 C ATOM 981 O MET A 61 10.973 -0.722 -7.093 1.00 22.32 O ATOM 982 CB MET A 61 12.286 -3.784 -6.786 1.00 21.40 C ATOM 983 CG MET A 61 13.258 -4.633 -5.958 1.00 34.24 C ATOM 984 SD MET A 61 14.109 -5.875 -6.957 1.00 43.25 S ATOM 985 CE MET A 61 14.957 -6.851 -5.712 1.00 70.11 C ATOM 0 H MET A 61 10.503 -4.555 -5.207 1.00 2.54 H new ATOM 0 HA MET A 61 12.041 -2.198 -5.336 1.00 10.12 H new ATOM 0 HB2 MET A 61 11.639 -4.452 -7.354 1.00 21.40 H new ATOM 0 HB3 MET A 61 12.860 -3.205 -7.509 1.00 21.40 H new ATOM 0 HG2 MET A 61 13.995 -3.982 -5.487 1.00 34.24 H new ATOM 0 HG3 MET A 61 12.711 -5.128 -5.156 1.00 34.24 H new ATOM 0 HE1 MET A 61 15.058 -7.879 -6.061 1.00 70.11 H new ATOM 0 HE2 MET A 61 15.946 -6.431 -5.532 1.00 70.11 H new ATOM 0 HE3 MET A 61 14.383 -6.837 -4.786 1.00 70.11 H new ATOM 995 N ALA A 62 9.506 -2.415 -7.492 1.00 22.02 N ATOM 996 CA ALA A 62 8.653 -1.675 -8.444 1.00 31.12 C ATOM 997 C ALA A 62 7.863 -0.563 -7.723 1.00 43.02 C ATOM 998 O ALA A 62 7.597 0.501 -8.302 1.00 32.13 O ATOM 999 CB ALA A 62 7.716 -2.647 -9.175 1.00 54.30 C ATOM 0 H ALA A 62 9.184 -3.365 -7.309 1.00 22.02 H new ATOM 0 HA ALA A 62 9.289 -1.192 -9.186 1.00 31.12 H new ATOM 0 HB1 ALA A 62 7.091 -2.093 -9.875 1.00 54.30 H new ATOM 0 HB2 ALA A 62 8.308 -3.382 -9.721 1.00 54.30 H new ATOM 0 HB3 ALA A 62 7.083 -3.158 -8.449 1.00 54.30 H new ATOM 1005 N LEU A 63 7.524 -0.819 -6.440 1.00 50.33 N ATOM 1006 CA LEU A 63 6.876 0.167 -5.555 1.00 15.42 C ATOM 1007 C LEU A 63 7.819 1.358 -5.307 1.00 25.30 C ATOM 1008 O LEU A 63 7.377 2.502 -5.277 1.00 65.13 O ATOM 1009 CB LEU A 63 6.448 -0.495 -4.212 1.00 72.42 C ATOM 1010 CG LEU A 63 5.246 -1.489 -4.293 1.00 73.12 C ATOM 1011 CD1 LEU A 63 5.090 -2.287 -2.984 1.00 22.24 C ATOM 1012 CD2 LEU A 63 3.934 -0.765 -4.675 1.00 50.04 C ATOM 0 H LEU A 63 7.694 -1.719 -5.990 1.00 50.33 H new ATOM 0 HA LEU A 63 5.976 0.537 -6.046 1.00 15.42 H new ATOM 0 HB2 LEU A 63 7.307 -1.026 -3.802 1.00 72.42 H new ATOM 0 HB3 LEU A 63 6.194 0.295 -3.505 1.00 72.42 H new ATOM 0 HG LEU A 63 5.465 -2.202 -5.088 1.00 73.12 H new ATOM 0 HD11 LEU A 63 4.245 -2.970 -3.073 1.00 22.24 H new ATOM 0 HD12 LEU A 63 5.999 -2.858 -2.795 1.00 22.24 H new ATOM 0 HD13 LEU A 63 4.915 -1.599 -2.157 1.00 22.24 H new ATOM 0 HD21 LEU A 63 3.120 -1.488 -4.722 1.00 50.04 H new ATOM 0 HD22 LEU A 63 3.704 -0.008 -3.925 1.00 50.04 H new ATOM 0 HD23 LEU A 63 4.052 -0.288 -5.648 1.00 50.04 H new ATOM 1024 N GLN A 64 9.128 1.069 -5.141 1.00 42.33 N ATOM 1025 CA GLN A 64 10.172 2.111 -5.001 1.00 62.21 C ATOM 1026 C GLN A 64 10.244 3.006 -6.253 1.00 32.13 C ATOM 1027 O GLN A 64 10.514 4.208 -6.140 1.00 0.42 O ATOM 1028 CB GLN A 64 11.557 1.468 -4.731 1.00 1.21 C ATOM 1029 CG GLN A 64 11.607 0.590 -3.468 1.00 13.44 C ATOM 1030 CD GLN A 64 12.930 -0.161 -3.291 1.00 52.41 C ATOM 1031 OE1 GLN A 64 13.995 0.333 -3.661 1.00 20.43 O ATOM 1032 NE2 GLN A 64 12.874 -1.376 -2.763 1.00 73.35 N ATOM 0 H GLN A 64 9.490 0.116 -5.100 1.00 42.33 H new ATOM 0 HA GLN A 64 9.899 2.735 -4.150 1.00 62.21 H new ATOM 0 HB2 GLN A 64 11.839 0.863 -5.593 1.00 1.21 H new ATOM 0 HB3 GLN A 64 12.301 2.259 -4.640 1.00 1.21 H new ATOM 0 HG2 GLN A 64 11.436 1.217 -2.593 1.00 13.44 H new ATOM 0 HG3 GLN A 64 10.792 -0.133 -3.506 1.00 13.44 H new ATOM 0 HE21 GLN A 64 11.978 -1.762 -2.465 1.00 73.35 H new ATOM 0 HE22 GLN A 64 13.727 -1.925 -2.655 1.00 73.35 H new ATOM 1041 N VAL A 65 9.981 2.415 -7.446 1.00 2.31 N ATOM 1042 CA VAL A 65 10.027 3.142 -8.738 1.00 11.25 C ATOM 1043 C VAL A 65 8.886 4.188 -8.822 1.00 54.52 C ATOM 1044 O VAL A 65 9.011 5.209 -9.505 1.00 13.22 O ATOM 1045 CB VAL A 65 9.956 2.124 -9.950 1.00 61.12 C ATOM 1046 CG1 VAL A 65 10.092 2.825 -11.324 1.00 4.12 C ATOM 1047 CG2 VAL A 65 11.029 1.018 -9.798 1.00 32.21 C ATOM 0 H VAL A 65 9.733 1.430 -7.538 1.00 2.31 H new ATOM 0 HA VAL A 65 10.975 3.677 -8.799 1.00 11.25 H new ATOM 0 HB VAL A 65 8.967 1.667 -9.921 1.00 61.12 H new ATOM 0 HG11 VAL A 65 10.037 2.081 -12.119 1.00 4.12 H new ATOM 0 HG12 VAL A 65 9.285 3.547 -11.446 1.00 4.12 H new ATOM 0 HG13 VAL A 65 11.051 3.341 -11.376 1.00 4.12 H new ATOM 0 HG21 VAL A 65 10.963 0.329 -10.640 1.00 32.21 H new ATOM 0 HG22 VAL A 65 12.020 1.472 -9.777 1.00 32.21 H new ATOM 0 HG23 VAL A 65 10.860 0.473 -8.869 1.00 32.21 H new ATOM 1057 N VAL A 66 7.785 3.931 -8.088 1.00 1.02 N ATOM 1058 CA VAL A 66 6.623 4.854 -7.992 1.00 64.42 C ATOM 1059 C VAL A 66 6.539 5.517 -6.586 1.00 32.31 C ATOM 1060 O VAL A 66 5.473 6.018 -6.196 1.00 22.34 O ATOM 1061 CB VAL A 66 5.279 4.100 -8.344 1.00 3.44 C ATOM 1062 CG1 VAL A 66 5.229 3.709 -9.838 1.00 24.42 C ATOM 1063 CG2 VAL A 66 5.082 2.855 -7.448 1.00 15.34 C ATOM 0 H VAL A 66 7.671 3.077 -7.542 1.00 1.02 H new ATOM 0 HA VAL A 66 6.769 5.650 -8.722 1.00 64.42 H new ATOM 0 HB VAL A 66 4.459 4.790 -8.148 1.00 3.44 H new ATOM 0 HG11 VAL A 66 4.292 3.192 -10.048 1.00 24.42 H new ATOM 0 HG12 VAL A 66 5.293 4.608 -10.452 1.00 24.42 H new ATOM 0 HG13 VAL A 66 6.066 3.051 -10.070 1.00 24.42 H new ATOM 0 HG21 VAL A 66 4.149 2.359 -7.715 1.00 15.34 H new ATOM 0 HG22 VAL A 66 5.914 2.166 -7.594 1.00 15.34 H new ATOM 0 HG23 VAL A 66 5.044 3.161 -6.403 1.00 15.34 H new ATOM 1073 N ASN A 67 7.682 5.522 -5.856 1.00 10.21 N ATOM 1074 CA ASN A 67 7.866 6.241 -4.562 1.00 4.34 C ATOM 1075 C ASN A 67 6.819 5.803 -3.501 1.00 52.35 C ATOM 1076 O ASN A 67 6.065 6.619 -2.952 1.00 11.11 O ATOM 1077 CB ASN A 67 7.874 7.791 -4.783 1.00 65.34 C ATOM 1078 CG ASN A 67 8.381 8.602 -3.572 1.00 31.44 C ATOM 1079 OD1 ASN A 67 9.567 8.903 -3.459 1.00 41.44 O ATOM 1080 ND2 ASN A 67 7.493 8.962 -2.662 1.00 64.34 N ATOM 0 H ASN A 67 8.519 5.019 -6.152 1.00 10.21 H new ATOM 0 HA ASN A 67 8.841 5.963 -4.161 1.00 4.34 H new ATOM 0 HB2 ASN A 67 8.499 8.020 -5.646 1.00 65.34 H new ATOM 0 HB3 ASN A 67 6.863 8.117 -5.026 1.00 65.34 H new ATOM 0 HD21 ASN A 67 7.787 9.500 -1.847 1.00 64.34 H new ATOM 0 HD22 ASN A 67 6.513 8.702 -2.775 1.00 64.34 H new ATOM 1087 N ILE A 68 6.738 4.491 -3.270 1.00 74.40 N ATOM 1088 CA ILE A 68 5.911 3.905 -2.201 1.00 4.23 C ATOM 1089 C ILE A 68 6.813 3.504 -1.022 1.00 44.11 C ATOM 1090 O ILE A 68 7.654 2.599 -1.144 1.00 24.51 O ATOM 1091 CB ILE A 68 5.092 2.666 -2.714 1.00 43.45 C ATOM 1092 CG1 ILE A 68 4.121 3.076 -3.869 1.00 73.52 C ATOM 1093 CG2 ILE A 68 4.326 1.970 -1.562 1.00 61.43 C ATOM 1094 CD1 ILE A 68 3.038 4.065 -3.478 1.00 11.05 C ATOM 0 H ILE A 68 7.245 3.797 -3.820 1.00 74.40 H new ATOM 0 HA ILE A 68 5.190 4.654 -1.873 1.00 4.23 H new ATOM 0 HB ILE A 68 5.805 1.944 -3.112 1.00 43.45 H new ATOM 0 HG12 ILE A 68 4.708 3.505 -4.681 1.00 73.52 H new ATOM 0 HG13 ILE A 68 3.646 2.176 -4.260 1.00 73.52 H new ATOM 0 HG21 ILE A 68 3.772 1.118 -1.956 1.00 61.43 H new ATOM 0 HG22 ILE A 68 5.035 1.625 -0.810 1.00 61.43 H new ATOM 0 HG23 ILE A 68 3.631 2.677 -1.108 1.00 61.43 H new ATOM 0 HD11 ILE A 68 2.417 4.286 -4.346 1.00 11.05 H new ATOM 0 HD12 ILE A 68 2.420 3.635 -2.690 1.00 11.05 H new ATOM 0 HD13 ILE A 68 3.498 4.985 -3.117 1.00 11.05 H new ATOM 1106 N GLN A 69 6.631 4.203 0.098 1.00 33.41 N ATOM 1107 CA GLN A 69 7.364 3.991 1.348 1.00 61.51 C ATOM 1108 C GLN A 69 6.944 2.642 1.975 1.00 33.12 C ATOM 1109 O GLN A 69 5.827 2.511 2.472 1.00 30.12 O ATOM 1110 CB GLN A 69 7.030 5.173 2.292 1.00 61.43 C ATOM 1111 CG GLN A 69 7.699 5.162 3.673 1.00 35.32 C ATOM 1112 CD GLN A 69 7.026 6.160 4.609 1.00 31.13 C ATOM 1113 OE1 GLN A 69 7.388 7.333 4.680 1.00 1.32 O ATOM 1114 NE2 GLN A 69 6.025 5.698 5.323 1.00 62.22 N ATOM 0 H GLN A 69 5.947 4.957 0.163 1.00 33.41 H new ATOM 0 HA GLN A 69 8.439 3.953 1.172 1.00 61.51 H new ATOM 0 HB2 GLN A 69 7.305 6.099 1.788 1.00 61.43 H new ATOM 0 HB3 GLN A 69 5.950 5.198 2.437 1.00 61.43 H new ATOM 0 HG2 GLN A 69 7.644 4.161 4.101 1.00 35.32 H new ATOM 0 HG3 GLN A 69 8.756 5.407 3.572 1.00 35.32 H new ATOM 0 HE21 GLN A 69 5.749 4.719 5.241 1.00 62.22 H new ATOM 0 HE22 GLN A 69 5.524 6.318 5.959 1.00 62.22 H new ATOM 1123 N THR A 70 7.839 1.646 1.952 1.00 23.24 N ATOM 1124 CA THR A 70 7.522 0.286 2.420 1.00 1.11 C ATOM 1125 C THR A 70 7.828 0.207 3.925 1.00 51.11 C ATOM 1126 O THR A 70 8.961 0.466 4.340 1.00 12.10 O ATOM 1127 CB THR A 70 8.337 -0.795 1.632 1.00 11.32 C ATOM 1128 OG1 THR A 70 8.143 -0.602 0.215 1.00 22.21 O ATOM 1129 CG2 THR A 70 7.926 -2.239 2.017 1.00 51.32 C ATOM 0 H THR A 70 8.795 1.756 1.613 1.00 23.24 H new ATOM 0 HA THR A 70 6.466 0.080 2.242 1.00 1.11 H new ATOM 0 HB THR A 70 9.388 -0.672 1.895 1.00 11.32 H new ATOM 0 HG1 THR A 70 8.992 -0.743 -0.254 1.00 22.21 H new ATOM 0 HG21 THR A 70 8.519 -2.951 1.444 1.00 51.32 H new ATOM 0 HG22 THR A 70 8.100 -2.395 3.082 1.00 51.32 H new ATOM 0 HG23 THR A 70 6.869 -2.387 1.797 1.00 51.32 H new ATOM 1137 N ILE A 71 6.796 -0.072 4.728 1.00 22.10 N ATOM 1138 CA ILE A 71 6.911 -0.214 6.193 1.00 4.04 C ATOM 1139 C ILE A 71 7.191 -1.684 6.552 1.00 75.13 C ATOM 1140 O ILE A 71 8.117 -1.992 7.312 1.00 23.40 O ATOM 1141 CB ILE A 71 5.598 0.293 6.899 1.00 23.04 C ATOM 1142 CG1 ILE A 71 5.299 1.778 6.490 1.00 13.52 C ATOM 1143 CG2 ILE A 71 5.663 0.125 8.444 1.00 72.24 C ATOM 1144 CD1 ILE A 71 6.333 2.793 6.938 1.00 34.33 C ATOM 0 H ILE A 71 5.846 -0.208 4.381 1.00 22.10 H new ATOM 0 HA ILE A 71 7.741 0.397 6.547 1.00 4.04 H new ATOM 0 HB ILE A 71 4.772 -0.330 6.556 1.00 23.04 H new ATOM 0 HG12 ILE A 71 5.211 1.828 5.405 1.00 13.52 H new ATOM 0 HG13 ILE A 71 4.331 2.063 6.902 1.00 13.52 H new ATOM 0 HG21 ILE A 71 4.736 0.488 8.889 1.00 72.24 H new ATOM 0 HG22 ILE A 71 5.796 -0.929 8.690 1.00 72.24 H new ATOM 0 HG23 ILE A 71 6.503 0.698 8.837 1.00 72.24 H new ATOM 0 HD11 ILE A 71 6.034 3.787 6.606 1.00 34.33 H new ATOM 0 HD12 ILE A 71 6.408 2.780 8.025 1.00 34.33 H new ATOM 0 HD13 ILE A 71 7.301 2.542 6.505 1.00 34.33 H new ATOM 1156 N ALA A 72 6.382 -2.586 5.982 1.00 22.20 N ATOM 1157 CA ALA A 72 6.513 -4.037 6.183 1.00 51.41 C ATOM 1158 C ALA A 72 6.351 -4.756 4.835 1.00 21.15 C ATOM 1159 O ALA A 72 5.680 -4.246 3.933 1.00 53.53 O ATOM 1160 CB ALA A 72 5.466 -4.521 7.203 1.00 75.54 C ATOM 0 H ALA A 72 5.612 -2.329 5.364 1.00 22.20 H new ATOM 0 HA ALA A 72 7.501 -4.268 6.580 1.00 51.41 H new ATOM 0 HB1 ALA A 72 5.569 -5.597 7.347 1.00 75.54 H new ATOM 0 HB2 ALA A 72 5.621 -4.011 8.154 1.00 75.54 H new ATOM 0 HB3 ALA A 72 4.466 -4.299 6.831 1.00 75.54 H new ATOM 1166 N MET A 73 7.010 -5.920 4.706 1.00 10.50 N ATOM 1167 CA MET A 73 6.934 -6.801 3.524 1.00 44.22 C ATOM 1168 C MET A 73 7.297 -8.230 3.965 1.00 15.11 C ATOM 1169 O MET A 73 8.377 -8.436 4.528 1.00 63.32 O ATOM 1170 CB MET A 73 7.908 -6.312 2.409 1.00 23.32 C ATOM 1171 CG MET A 73 7.970 -7.196 1.145 1.00 54.24 C ATOM 1172 SD MET A 73 6.433 -7.208 0.195 1.00 52.22 S ATOM 1173 CE MET A 73 6.354 -5.525 -0.419 1.00 3.40 C ATOM 0 H MET A 73 7.624 -6.284 5.435 1.00 10.50 H new ATOM 0 HA MET A 73 5.925 -6.781 3.112 1.00 44.22 H new ATOM 0 HB2 MET A 73 7.616 -5.305 2.112 1.00 23.32 H new ATOM 0 HB3 MET A 73 8.910 -6.242 2.832 1.00 23.32 H new ATOM 0 HG2 MET A 73 8.780 -6.845 0.506 1.00 54.24 H new ATOM 0 HG3 MET A 73 8.215 -8.217 1.437 1.00 54.24 H new ATOM 0 HE1 MET A 73 5.492 -5.019 0.016 1.00 3.40 H new ATOM 0 HE2 MET A 73 7.264 -4.994 -0.142 1.00 3.40 H new ATOM 0 HE3 MET A 73 6.257 -5.538 -1.505 1.00 3.40 H new ATOM 1183 N SER A 74 6.385 -9.201 3.754 1.00 72.15 N ATOM 1184 CA SER A 74 6.646 -10.625 4.057 1.00 32.10 C ATOM 1185 C SER A 74 7.329 -11.302 2.844 1.00 5.54 C ATOM 1186 O SER A 74 7.515 -10.669 1.796 1.00 44.35 O ATOM 1187 CB SER A 74 5.326 -11.336 4.462 1.00 14.10 C ATOM 1188 OG SER A 74 4.738 -10.719 5.598 1.00 14.53 O ATOM 0 H SER A 74 5.456 -9.024 3.373 1.00 72.15 H new ATOM 0 HA SER A 74 7.327 -10.704 4.904 1.00 32.10 H new ATOM 0 HB2 SER A 74 4.625 -11.310 3.627 1.00 14.10 H new ATOM 0 HB3 SER A 74 5.527 -12.385 4.678 1.00 14.10 H new ATOM 0 HG SER A 74 4.203 -9.949 5.312 1.00 14.53 H new ATOM 1194 N ARG A 75 7.674 -12.583 2.990 1.00 2.41 N ATOM 1195 CA ARG A 75 8.541 -13.317 2.040 1.00 75.23 C ATOM 1196 C ARG A 75 7.684 -14.120 1.033 1.00 52.12 C ATOM 1197 O ARG A 75 6.481 -14.315 1.252 1.00 11.13 O ATOM 1198 CB ARG A 75 9.498 -14.237 2.861 1.00 2.51 C ATOM 1199 CG ARG A 75 10.655 -14.888 2.069 1.00 74.31 C ATOM 1200 CD ARG A 75 11.618 -15.689 2.960 1.00 60.12 C ATOM 1201 NE ARG A 75 12.673 -16.349 2.169 1.00 62.44 N ATOM 1202 CZ ARG A 75 13.724 -17.008 2.683 1.00 61.23 C ATOM 1203 NH1 ARG A 75 13.895 -17.113 3.998 1.00 64.34 N ATOM 1204 NH2 ARG A 75 14.605 -17.570 1.870 1.00 31.13 N ATOM 0 H ARG A 75 7.361 -13.153 3.776 1.00 2.41 H new ATOM 0 HA ARG A 75 9.139 -12.620 1.453 1.00 75.23 H new ATOM 0 HB2 ARG A 75 9.925 -13.650 3.674 1.00 2.51 H new ATOM 0 HB3 ARG A 75 8.905 -15.030 3.317 1.00 2.51 H new ATOM 0 HG2 ARG A 75 10.240 -15.548 1.307 1.00 74.31 H new ATOM 0 HG3 ARG A 75 11.213 -14.111 1.547 1.00 74.31 H new ATOM 0 HD2 ARG A 75 12.075 -15.023 3.692 1.00 60.12 H new ATOM 0 HD3 ARG A 75 11.058 -16.440 3.518 1.00 60.12 H new ATOM 0 HE ARG A 75 12.599 -16.301 1.153 1.00 62.44 H new ATOM 0 HH11 ARG A 75 13.221 -16.689 4.635 1.00 64.34 H new ATOM 0 HH12 ARG A 75 14.700 -17.618 4.369 1.00 64.34 H new ATOM 0 HH21 ARG A 75 14.483 -17.501 0.860 1.00 31.13 H new ATOM 0 HH22 ARG A 75 15.406 -18.072 2.254 1.00 31.13 H new ATOM 1218 N ALA A 76 8.311 -14.578 -0.073 1.00 34.32 N ATOM 1219 CA ALA A 76 7.650 -15.417 -1.090 1.00 24.25 C ATOM 1220 C ALA A 76 7.299 -16.776 -0.477 1.00 54.24 C ATOM 1221 O ALA A 76 8.172 -17.439 0.101 1.00 42.30 O ATOM 1222 CB ALA A 76 8.556 -15.605 -2.321 1.00 1.04 C ATOM 0 H ALA A 76 9.288 -14.375 -0.283 1.00 34.32 H new ATOM 0 HA ALA A 76 6.738 -14.919 -1.418 1.00 24.25 H new ATOM 0 HB1 ALA A 76 8.046 -16.227 -3.056 1.00 1.04 H new ATOM 0 HB2 ALA A 76 8.779 -14.633 -2.760 1.00 1.04 H new ATOM 0 HB3 ALA A 76 9.485 -16.088 -2.019 1.00 1.04 H new ATOM 1228 N GLY A 77 6.027 -17.170 -0.601 1.00 74.24 N ATOM 1229 CA GLY A 77 5.519 -18.407 -0.014 1.00 1.10 C ATOM 1230 C GLY A 77 4.760 -18.181 1.283 1.00 44.35 C ATOM 1231 O GLY A 77 4.099 -19.109 1.770 1.00 12.33 O ATOM 0 H GLY A 77 5.323 -16.637 -1.112 1.00 74.24 H new ATOM 0 HA2 GLY A 77 4.863 -18.900 -0.731 1.00 1.10 H new ATOM 0 HA3 GLY A 77 6.353 -19.083 0.173 1.00 1.10 H new ATOM 1235 N SER A 78 4.870 -16.965 1.867 1.00 64.03 N ATOM 1236 CA SER A 78 4.077 -16.583 3.046 1.00 33.14 C ATOM 1237 C SER A 78 2.600 -16.546 2.640 1.00 24.20 C ATOM 1238 O SER A 78 2.251 -15.913 1.646 1.00 45.32 O ATOM 1239 CB SER A 78 4.525 -15.201 3.589 1.00 22.32 C ATOM 1240 OG SER A 78 3.779 -14.809 4.735 1.00 70.31 O ATOM 0 H SER A 78 5.502 -16.236 1.537 1.00 64.03 H new ATOM 0 HA SER A 78 4.228 -17.312 3.842 1.00 33.14 H new ATOM 0 HB2 SER A 78 5.585 -15.237 3.842 1.00 22.32 H new ATOM 0 HB3 SER A 78 4.409 -14.450 2.807 1.00 22.32 H new ATOM 0 HG SER A 78 3.978 -13.874 4.951 1.00 70.31 H new ATOM 1246 N ARG A 79 1.759 -17.293 3.365 1.00 31.15 N ATOM 1247 CA ARG A 79 0.310 -17.383 3.121 1.00 45.41 C ATOM 1248 C ARG A 79 -0.389 -17.641 4.478 1.00 13.43 C ATOM 1249 O ARG A 79 -0.262 -18.745 5.017 1.00 44.13 O ATOM 1250 CB ARG A 79 -0.018 -18.503 2.078 1.00 45.03 C ATOM 1251 CG ARG A 79 0.336 -18.140 0.616 1.00 35.43 C ATOM 1252 CD ARG A 79 0.120 -19.286 -0.374 1.00 51.22 C ATOM 1253 NE ARG A 79 0.562 -18.915 -1.737 1.00 72.15 N ATOM 1254 CZ ARG A 79 1.537 -19.527 -2.435 1.00 4.32 C ATOM 1255 NH1 ARG A 79 2.191 -20.568 -1.925 1.00 74.21 N ATOM 1256 NH2 ARG A 79 1.840 -19.092 -3.648 1.00 44.12 N ATOM 0 H ARG A 79 2.069 -17.863 4.152 1.00 31.15 H new ATOM 0 HA ARG A 79 -0.057 -16.450 2.694 1.00 45.41 H new ATOM 0 HB2 ARG A 79 0.521 -19.409 2.355 1.00 45.03 H new ATOM 0 HB3 ARG A 79 -1.082 -18.735 2.134 1.00 45.03 H new ATOM 0 HG2 ARG A 79 -0.268 -17.287 0.307 1.00 35.43 H new ATOM 0 HG3 ARG A 79 1.379 -17.826 0.572 1.00 35.43 H new ATOM 0 HD2 ARG A 79 0.669 -20.166 -0.039 1.00 51.22 H new ATOM 0 HD3 ARG A 79 -0.936 -19.557 -0.394 1.00 51.22 H new ATOM 0 HE ARG A 79 0.088 -18.130 -2.185 1.00 72.15 H new ATOM 0 HH11 ARG A 79 1.956 -20.912 -0.994 1.00 74.21 H new ATOM 0 HH12 ARG A 79 2.928 -21.022 -2.465 1.00 74.21 H new ATOM 0 HH21 ARG A 79 1.336 -18.299 -4.046 1.00 44.12 H new ATOM 0 HH22 ARG A 79 2.577 -19.549 -4.184 1.00 44.12 H new ATOM 1270 N PRO A 80 -1.131 -16.645 5.078 1.00 41.01 N ATOM 1271 CA PRO A 80 -1.442 -15.328 4.458 1.00 60.32 C ATOM 1272 C PRO A 80 -0.251 -14.331 4.465 1.00 12.24 C ATOM 1273 O PRO A 80 0.280 -13.979 5.526 1.00 35.22 O ATOM 1274 CB PRO A 80 -2.614 -14.812 5.327 1.00 14.20 C ATOM 1275 CG PRO A 80 -2.360 -15.387 6.689 1.00 33.22 C ATOM 1276 CD PRO A 80 -1.723 -16.748 6.449 1.00 51.34 C ATOM 0 HA PRO A 80 -1.678 -15.426 3.398 1.00 60.32 H new ATOM 0 HB2 PRO A 80 -2.637 -13.723 5.355 1.00 14.20 H new ATOM 0 HB3 PRO A 80 -3.575 -15.141 4.931 1.00 14.20 H new ATOM 0 HG2 PRO A 80 -1.700 -14.742 7.269 1.00 33.22 H new ATOM 0 HG3 PRO A 80 -3.288 -15.483 7.253 1.00 33.22 H new ATOM 0 HD2 PRO A 80 -0.960 -16.967 7.196 1.00 51.34 H new ATOM 0 HD3 PRO A 80 -2.462 -17.548 6.504 1.00 51.34 H new ATOM 1284 N TRP A 81 0.152 -13.904 3.257 1.00 33.31 N ATOM 1285 CA TRP A 81 1.206 -12.894 3.059 1.00 60.41 C ATOM 1286 C TRP A 81 0.642 -11.510 3.392 1.00 5.14 C ATOM 1287 O TRP A 81 -0.509 -11.223 3.067 1.00 31.54 O ATOM 1288 CB TRP A 81 1.711 -12.940 1.583 1.00 33.04 C ATOM 1289 CG TRP A 81 2.667 -11.837 1.190 1.00 72.34 C ATOM 1290 CD1 TRP A 81 4.031 -11.837 1.281 1.00 13.01 C ATOM 1291 CD2 TRP A 81 2.309 -10.581 0.612 1.00 4.32 C ATOM 1292 NE1 TRP A 81 4.532 -10.633 0.848 1.00 40.11 N ATOM 1293 CE2 TRP A 81 3.493 -9.855 0.420 1.00 3.32 C ATOM 1294 CE3 TRP A 81 1.092 -10.008 0.249 1.00 53.03 C ATOM 1295 CZ2 TRP A 81 3.491 -8.577 -0.107 1.00 75.24 C ATOM 1296 CZ3 TRP A 81 1.093 -8.750 -0.283 1.00 55.24 C ATOM 1297 CH2 TRP A 81 2.284 -8.042 -0.458 1.00 13.44 C ATOM 0 H TRP A 81 -0.246 -14.252 2.385 1.00 33.31 H new ATOM 0 HA TRP A 81 2.049 -13.103 3.718 1.00 60.41 H new ATOM 0 HB2 TRP A 81 2.200 -13.899 1.414 1.00 33.04 H new ATOM 0 HB3 TRP A 81 0.847 -12.902 0.920 1.00 33.04 H new ATOM 0 HD1 TRP A 81 4.627 -12.662 1.641 1.00 13.01 H new ATOM 0 HE1 TRP A 81 5.516 -10.364 0.846 1.00 40.11 H new ATOM 0 HE3 TRP A 81 0.167 -10.548 0.386 1.00 53.03 H new ATOM 0 HZ2 TRP A 81 4.409 -8.023 -0.236 1.00 75.24 H new ATOM 0 HZ3 TRP A 81 0.157 -8.295 -0.573 1.00 55.24 H new ATOM 0 HH2 TRP A 81 2.250 -7.049 -0.881 1.00 13.44 H new ATOM 1308 N LYS A 82 1.432 -10.660 4.067 1.00 32.43 N ATOM 1309 CA LYS A 82 1.104 -9.226 4.203 1.00 32.54 C ATOM 1310 C LYS A 82 2.303 -8.326 3.904 1.00 52.53 C ATOM 1311 O LYS A 82 3.462 -8.741 3.968 1.00 22.14 O ATOM 1312 CB LYS A 82 0.534 -8.886 5.611 1.00 43.42 C ATOM 1313 CG LYS A 82 -0.904 -9.377 5.872 1.00 15.33 C ATOM 1314 CD LYS A 82 -1.494 -8.785 7.172 1.00 61.04 C ATOM 1315 CE LYS A 82 -2.970 -9.142 7.379 1.00 51.13 C ATOM 1316 NZ LYS A 82 -3.553 -8.408 8.531 1.00 53.20 N ATOM 0 H LYS A 82 2.300 -10.936 4.527 1.00 32.43 H new ATOM 0 HA LYS A 82 0.332 -9.029 3.459 1.00 32.54 H new ATOM 0 HB2 LYS A 82 1.191 -9.318 6.366 1.00 43.42 H new ATOM 0 HB3 LYS A 82 0.562 -7.805 5.745 1.00 43.42 H new ATOM 0 HG2 LYS A 82 -1.539 -9.103 5.029 1.00 15.33 H new ATOM 0 HG3 LYS A 82 -0.909 -10.465 5.935 1.00 15.33 H new ATOM 0 HD2 LYS A 82 -0.916 -9.145 8.023 1.00 61.04 H new ATOM 0 HD3 LYS A 82 -1.388 -7.700 7.151 1.00 61.04 H new ATOM 0 HE2 LYS A 82 -3.532 -8.907 6.475 1.00 51.13 H new ATOM 0 HE3 LYS A 82 -3.066 -10.215 7.544 1.00 51.13 H new ATOM 0 HZ1 LYS A 82 -4.411 -8.897 8.856 1.00 53.20 H new ATOM 0 HZ2 LYS A 82 -2.860 -8.372 9.306 1.00 53.20 H new ATOM 0 HZ3 LYS A 82 -3.796 -7.440 8.239 1.00 53.20 H new ATOM 1330 N ALA A 83 1.974 -7.074 3.580 1.00 75.35 N ATOM 1331 CA ALA A 83 2.917 -5.968 3.451 1.00 14.44 C ATOM 1332 C ALA A 83 2.166 -4.683 3.773 1.00 63.41 C ATOM 1333 O ALA A 83 1.016 -4.516 3.367 1.00 75.11 O ATOM 1334 CB ALA A 83 3.525 -5.883 2.045 1.00 70.45 C ATOM 0 H ALA A 83 1.010 -6.796 3.394 1.00 75.35 H new ATOM 0 HA ALA A 83 3.747 -6.126 4.140 1.00 14.44 H new ATOM 0 HB1 ALA A 83 4.220 -5.045 1.999 1.00 70.45 H new ATOM 0 HB2 ALA A 83 4.057 -6.808 1.822 1.00 70.45 H new ATOM 0 HB3 ALA A 83 2.731 -5.736 1.313 1.00 70.45 H new ATOM 1340 N TYR A 84 2.810 -3.778 4.504 1.00 71.15 N ATOM 1341 CA TYR A 84 2.216 -2.500 4.890 1.00 3.21 C ATOM 1342 C TYR A 84 2.963 -1.377 4.185 1.00 31.43 C ATOM 1343 O TYR A 84 4.167 -1.208 4.365 1.00 71.54 O ATOM 1344 CB TYR A 84 2.229 -2.334 6.421 1.00 63.23 C ATOM 1345 CG TYR A 84 1.229 -3.274 7.115 1.00 72.25 C ATOM 1346 CD1 TYR A 84 -0.121 -2.922 7.264 1.00 41.43 C ATOM 1347 CD2 TYR A 84 1.625 -4.520 7.585 1.00 70.45 C ATOM 1348 CE1 TYR A 84 -1.023 -3.785 7.862 1.00 50.55 C ATOM 1349 CE2 TYR A 84 0.729 -5.373 8.178 1.00 1.44 C ATOM 1350 CZ TYR A 84 -0.586 -5.013 8.317 1.00 31.45 C ATOM 1351 OH TYR A 84 -1.463 -5.893 8.916 1.00 31.43 O ATOM 0 H TYR A 84 3.762 -3.910 4.847 1.00 71.15 H new ATOM 0 HA TYR A 84 1.171 -2.467 4.582 1.00 3.21 H new ATOM 0 HB2 TYR A 84 3.233 -2.532 6.798 1.00 63.23 H new ATOM 0 HB3 TYR A 84 1.991 -1.301 6.675 1.00 63.23 H new ATOM 0 HD1 TYR A 84 -0.462 -1.962 6.906 1.00 41.43 H new ATOM 0 HD2 TYR A 84 2.657 -4.822 7.482 1.00 70.45 H new ATOM 0 HE1 TYR A 84 -2.059 -3.500 7.972 1.00 50.55 H new ATOM 0 HE2 TYR A 84 1.062 -6.335 8.538 1.00 1.44 H new ATOM 0 HH TYR A 84 -2.300 -5.917 8.407 1.00 31.43 H new ATOM 1361 N LEU A 85 2.234 -0.663 3.332 1.00 11.04 N ATOM 1362 CA LEU A 85 2.750 0.440 2.525 1.00 0.24 C ATOM 1363 C LEU A 85 2.264 1.766 3.099 1.00 43.10 C ATOM 1364 O LEU A 85 1.244 1.822 3.771 1.00 24.53 O ATOM 1365 CB LEU A 85 2.267 0.293 1.064 1.00 5.23 C ATOM 1366 CG LEU A 85 2.630 -1.043 0.349 1.00 24.02 C ATOM 1367 CD1 LEU A 85 2.141 -1.027 -1.115 1.00 53.34 C ATOM 1368 CD2 LEU A 85 4.149 -1.344 0.451 1.00 74.03 C ATOM 0 H LEU A 85 1.241 -0.840 3.178 1.00 11.04 H new ATOM 0 HA LEU A 85 3.840 0.418 2.543 1.00 0.24 H new ATOM 0 HB2 LEU A 85 1.183 0.406 1.049 1.00 5.23 H new ATOM 0 HB3 LEU A 85 2.681 1.116 0.482 1.00 5.23 H new ATOM 0 HG LEU A 85 2.113 -1.855 0.860 1.00 24.02 H new ATOM 0 HD11 LEU A 85 2.404 -1.969 -1.597 1.00 53.34 H new ATOM 0 HD12 LEU A 85 1.059 -0.899 -1.136 1.00 53.34 H new ATOM 0 HD13 LEU A 85 2.614 -0.202 -1.648 1.00 53.34 H new ATOM 0 HD21 LEU A 85 4.369 -2.283 -0.058 1.00 74.03 H new ATOM 0 HD22 LEU A 85 4.712 -0.537 -0.017 1.00 74.03 H new ATOM 0 HD23 LEU A 85 4.434 -1.424 1.500 1.00 74.03 H new ATOM 1380 N SER A 86 3.021 2.815 2.847 1.00 2.14 N ATOM 1381 CA SER A 86 2.644 4.185 3.179 1.00 43.54 C ATOM 1382 C SER A 86 3.228 5.117 2.111 1.00 1.14 C ATOM 1383 O SER A 86 4.082 4.706 1.316 1.00 51.12 O ATOM 1384 CB SER A 86 3.116 4.559 4.606 1.00 12.21 C ATOM 1385 OG SER A 86 2.806 5.901 4.940 1.00 3.41 O ATOM 0 H SER A 86 3.934 2.744 2.397 1.00 2.14 H new ATOM 0 HA SER A 86 1.559 4.288 3.182 1.00 43.54 H new ATOM 0 HB2 SER A 86 2.648 3.890 5.328 1.00 12.21 H new ATOM 0 HB3 SER A 86 4.193 4.407 4.682 1.00 12.21 H new ATOM 0 HG SER A 86 1.933 6.139 4.563 1.00 3.41 H new ATOM 1391 N ALA A 87 2.696 6.340 2.039 1.00 2.42 N ATOM 1392 CA ALA A 87 3.214 7.395 1.158 1.00 21.03 C ATOM 1393 C ALA A 87 2.709 8.762 1.623 1.00 64.14 C ATOM 1394 O ALA A 87 1.892 8.854 2.540 1.00 34.32 O ATOM 1395 CB ALA A 87 2.816 7.124 -0.306 1.00 74.33 C ATOM 0 H ALA A 87 1.890 6.630 2.592 1.00 2.42 H new ATOM 0 HA ALA A 87 4.303 7.396 1.211 1.00 21.03 H new ATOM 0 HB1 ALA A 87 3.209 7.917 -0.943 1.00 74.33 H new ATOM 0 HB2 ALA A 87 3.227 6.166 -0.624 1.00 74.33 H new ATOM 0 HB3 ALA A 87 1.729 7.098 -0.389 1.00 74.33 H new ATOM 1401 N GLN A 88 3.243 9.813 1.013 1.00 52.13 N ATOM 1402 CA GLN A 88 2.790 11.189 1.218 1.00 25.34 C ATOM 1403 C GLN A 88 2.933 11.941 -0.103 1.00 31.52 C ATOM 1404 O GLN A 88 3.999 11.889 -0.722 1.00 21.02 O ATOM 1405 CB GLN A 88 3.628 11.882 2.316 1.00 71.22 C ATOM 1406 CG GLN A 88 3.236 13.346 2.589 1.00 73.22 C ATOM 1407 CD GLN A 88 4.255 14.071 3.455 1.00 20.24 C ATOM 1408 OE1 GLN A 88 4.158 14.080 4.679 1.00 52.23 O ATOM 1409 NE2 GLN A 88 5.246 14.677 2.824 1.00 52.13 N ATOM 0 H GLN A 88 4.015 9.735 0.351 1.00 52.13 H new ATOM 0 HA GLN A 88 1.749 11.188 1.542 1.00 25.34 H new ATOM 0 HB2 GLN A 88 3.532 11.315 3.242 1.00 71.22 H new ATOM 0 HB3 GLN A 88 4.679 11.848 2.029 1.00 71.22 H new ATOM 0 HG2 GLN A 88 3.130 13.873 1.641 1.00 73.22 H new ATOM 0 HG3 GLN A 88 2.263 13.373 3.079 1.00 73.22 H new ATOM 0 HE21 GLN A 88 5.295 14.649 1.806 1.00 52.13 H new ATOM 0 HE22 GLN A 88 5.962 15.173 3.356 1.00 52.13 H new ATOM 1418 N ASP A 89 1.860 12.612 -0.545 1.00 55.43 N ATOM 1419 CA ASP A 89 1.901 13.443 -1.756 1.00 74.25 C ATOM 1420 C ASP A 89 2.300 14.890 -1.413 1.00 3.03 C ATOM 1421 O ASP A 89 2.538 15.228 -0.239 1.00 32.31 O ATOM 1422 CB ASP A 89 0.541 13.393 -2.521 1.00 53.11 C ATOM 1423 CG ASP A 89 -0.631 14.118 -1.837 1.00 60.52 C ATOM 1424 OD1 ASP A 89 -0.660 14.210 -0.595 1.00 61.23 O ATOM 1425 OD2 ASP A 89 -1.537 14.608 -2.546 1.00 4.53 O ATOM 0 H ASP A 89 0.952 12.595 -0.081 1.00 55.43 H new ATOM 0 HA ASP A 89 2.663 13.035 -2.420 1.00 74.25 H new ATOM 0 HB2 ASP A 89 0.685 13.826 -3.511 1.00 53.11 H new ATOM 0 HB3 ASP A 89 0.264 12.349 -2.667 1.00 53.11 H new ATOM 1430 N ASP A 90 2.368 15.723 -2.457 1.00 0.53 N ATOM 1431 CA ASP A 90 2.737 17.143 -2.366 1.00 23.20 C ATOM 1432 C ASP A 90 1.773 17.962 -1.475 1.00 22.10 C ATOM 1433 O ASP A 90 2.194 18.943 -0.851 1.00 50.01 O ATOM 1434 CB ASP A 90 2.799 17.753 -3.792 1.00 71.04 C ATOM 1435 CG ASP A 90 1.465 17.693 -4.550 1.00 15.34 C ATOM 1436 OD1 ASP A 90 1.136 16.617 -5.069 1.00 13.33 O ATOM 1437 OD2 ASP A 90 0.747 18.718 -4.629 1.00 33.53 O ATOM 0 H ASP A 90 2.164 15.424 -3.411 1.00 0.53 H new ATOM 0 HA ASP A 90 3.717 17.194 -1.891 1.00 23.20 H new ATOM 0 HB2 ASP A 90 3.118 18.793 -3.719 1.00 71.04 H new ATOM 0 HB3 ASP A 90 3.559 17.226 -4.370 1.00 71.04 H new ATOM 1442 N THR A 91 0.484 17.541 -1.394 1.00 33.34 N ATOM 1443 CA THR A 91 -0.538 18.284 -0.616 1.00 14.00 C ATOM 1444 C THR A 91 -0.435 17.946 0.881 1.00 43.05 C ATOM 1445 O THR A 91 -1.019 18.643 1.723 1.00 51.42 O ATOM 1446 CB THR A 91 -2.005 18.035 -1.123 1.00 34.25 C ATOM 1447 OG1 THR A 91 -2.436 16.706 -0.800 1.00 65.32 O ATOM 1448 CG2 THR A 91 -2.123 18.246 -2.644 1.00 2.14 C ATOM 0 H THR A 91 0.132 16.701 -1.853 1.00 33.34 H new ATOM 0 HA THR A 91 -0.324 19.342 -0.768 1.00 14.00 H new ATOM 0 HB THR A 91 -2.643 18.760 -0.618 1.00 34.25 H new ATOM 0 HG1 THR A 91 -2.198 16.098 -1.531 1.00 65.32 H new ATOM 0 HG21 THR A 91 -3.151 18.065 -2.958 1.00 2.14 H new ATOM 0 HG22 THR A 91 -1.843 19.270 -2.892 1.00 2.14 H new ATOM 0 HG23 THR A 91 -1.459 17.553 -3.160 1.00 2.14 H new ATOM 1456 N GLY A 92 0.326 16.879 1.206 1.00 53.52 N ATOM 1457 CA GLY A 92 0.562 16.478 2.585 1.00 3.13 C ATOM 1458 C GLY A 92 -0.461 15.496 3.123 1.00 74.21 C ATOM 1459 O GLY A 92 -0.599 15.368 4.345 1.00 52.10 O ATOM 0 H GLY A 92 0.785 16.284 0.516 1.00 53.52 H new ATOM 0 HA2 GLY A 92 1.554 16.031 2.659 1.00 3.13 H new ATOM 0 HA3 GLY A 92 0.565 17.367 3.216 1.00 3.13 H new ATOM 1463 N CYS A 93 -1.193 14.821 2.217 1.00 70.32 N ATOM 1464 CA CYS A 93 -2.076 13.707 2.580 1.00 52.43 C ATOM 1465 C CYS A 93 -1.216 12.449 2.808 1.00 50.11 C ATOM 1466 O CYS A 93 -0.419 12.076 1.944 1.00 2.21 O ATOM 1467 CB CYS A 93 -3.129 13.452 1.480 1.00 32.13 C ATOM 1468 SG CYS A 93 -4.158 14.879 1.080 1.00 23.24 S ATOM 0 H CYS A 93 -1.186 15.034 1.220 1.00 70.32 H new ATOM 0 HA CYS A 93 -2.614 13.957 3.494 1.00 52.43 H new ATOM 0 HB2 CYS A 93 -2.618 13.124 0.575 1.00 32.13 H new ATOM 0 HB3 CYS A 93 -3.774 12.632 1.796 1.00 32.13 H new ATOM 0 HG CYS A 93 -3.500 15.684 0.300 1.00 23.24 H new ATOM 1474 N LEU A 94 -1.371 11.826 3.984 1.00 15.12 N ATOM 1475 CA LEU A 94 -0.622 10.621 4.372 1.00 54.45 C ATOM 1476 C LEU A 94 -1.482 9.398 3.994 1.00 61.12 C ATOM 1477 O LEU A 94 -2.620 9.289 4.440 1.00 13.14 O ATOM 1478 CB LEU A 94 -0.294 10.656 5.909 1.00 14.13 C ATOM 1479 CG LEU A 94 0.967 9.848 6.399 1.00 31.43 C ATOM 1480 CD1 LEU A 94 0.800 8.329 6.217 1.00 53.42 C ATOM 1481 CD2 LEU A 94 2.263 10.356 5.722 1.00 31.32 C ATOM 0 H LEU A 94 -2.024 12.146 4.699 1.00 15.12 H new ATOM 0 HA LEU A 94 0.333 10.567 3.850 1.00 54.45 H new ATOM 0 HB2 LEU A 94 -0.161 11.698 6.202 1.00 14.13 H new ATOM 0 HB3 LEU A 94 -1.164 10.282 6.448 1.00 14.13 H new ATOM 0 HG LEU A 94 1.055 10.029 7.470 1.00 31.43 H new ATOM 0 HD11 LEU A 94 1.697 7.820 6.570 1.00 53.42 H new ATOM 0 HD12 LEU A 94 -0.062 7.986 6.790 1.00 53.42 H new ATOM 0 HD13 LEU A 94 0.646 8.104 5.162 1.00 53.42 H new ATOM 0 HD21 LEU A 94 3.113 9.777 6.083 1.00 31.32 H new ATOM 0 HD22 LEU A 94 2.178 10.241 4.641 1.00 31.32 H new ATOM 0 HD23 LEU A 94 2.412 11.408 5.964 1.00 31.32 H new ATOM 1493 N PHE A 95 -0.917 8.495 3.187 1.00 75.32 N ATOM 1494 CA PHE A 95 -1.595 7.291 2.673 1.00 3.31 C ATOM 1495 C PHE A 95 -1.034 6.078 3.400 1.00 61.40 C ATOM 1496 O PHE A 95 0.177 5.988 3.576 1.00 5.41 O ATOM 1497 CB PHE A 95 -1.344 7.149 1.149 1.00 11.23 C ATOM 1498 CG PHE A 95 -1.602 8.441 0.396 1.00 44.01 C ATOM 1499 CD1 PHE A 95 -2.899 8.894 0.204 1.00 52.42 C ATOM 1500 CD2 PHE A 95 -0.549 9.219 -0.086 1.00 73.52 C ATOM 1501 CE1 PHE A 95 -3.137 10.083 -0.441 1.00 62.13 C ATOM 1502 CE2 PHE A 95 -0.792 10.402 -0.735 1.00 33.54 C ATOM 1503 CZ PHE A 95 -2.082 10.834 -0.915 1.00 21.21 C ATOM 0 H PHE A 95 0.047 8.579 2.863 1.00 75.32 H new ATOM 0 HA PHE A 95 -2.669 7.369 2.842 1.00 3.31 H new ATOM 0 HB2 PHE A 95 -0.314 6.834 0.981 1.00 11.23 H new ATOM 0 HB3 PHE A 95 -1.987 6.365 0.749 1.00 11.23 H new ATOM 0 HD1 PHE A 95 -3.730 8.306 0.565 1.00 52.42 H new ATOM 0 HD2 PHE A 95 0.469 8.886 0.054 1.00 73.52 H new ATOM 0 HE1 PHE A 95 -4.151 10.430 -0.577 1.00 62.13 H new ATOM 0 HE2 PHE A 95 0.032 10.994 -1.105 1.00 33.54 H new ATOM 0 HZ PHE A 95 -2.272 11.765 -1.429 1.00 21.21 H new ATOM 1513 N LEU A 96 -1.909 5.189 3.878 1.00 72.44 N ATOM 1514 CA LEU A 96 -1.501 3.909 4.474 1.00 51.04 C ATOM 1515 C LEU A 96 -2.288 2.788 3.784 1.00 40.23 C ATOM 1516 O LEU A 96 -3.476 2.930 3.522 1.00 10.35 O ATOM 1517 CB LEU A 96 -1.736 3.892 6.015 1.00 41.51 C ATOM 1518 CG LEU A 96 -1.164 5.119 6.827 1.00 22.31 C ATOM 1519 CD1 LEU A 96 -2.132 6.320 6.820 1.00 52.10 C ATOM 1520 CD2 LEU A 96 -0.766 4.735 8.263 1.00 41.30 C ATOM 0 H LEU A 96 -2.919 5.334 3.864 1.00 72.44 H new ATOM 0 HA LEU A 96 -0.432 3.762 4.323 1.00 51.04 H new ATOM 0 HB2 LEU A 96 -2.809 3.833 6.196 1.00 41.51 H new ATOM 0 HB3 LEU A 96 -1.294 2.980 6.418 1.00 41.51 H new ATOM 0 HG LEU A 96 -0.254 5.428 6.312 1.00 22.31 H new ATOM 0 HD11 LEU A 96 -1.697 7.141 7.390 1.00 52.10 H new ATOM 0 HD12 LEU A 96 -2.304 6.643 5.793 1.00 52.10 H new ATOM 0 HD13 LEU A 96 -3.080 6.026 7.271 1.00 52.10 H new ATOM 0 HD21 LEU A 96 -0.379 5.613 8.780 1.00 41.30 H new ATOM 0 HD22 LEU A 96 -1.640 4.357 8.794 1.00 41.30 H new ATOM 0 HD23 LEU A 96 0.003 3.963 8.233 1.00 41.30 H new ATOM 1532 N THR A 97 -1.599 1.705 3.442 1.00 23.33 N ATOM 1533 CA THR A 97 -2.177 0.567 2.726 1.00 54.31 C ATOM 1534 C THR A 97 -1.708 -0.763 3.347 1.00 14.21 C ATOM 1535 O THR A 97 -0.615 -0.851 3.909 1.00 44.51 O ATOM 1536 CB THR A 97 -1.800 0.640 1.205 1.00 31.55 C ATOM 1537 OG1 THR A 97 -2.237 1.897 0.667 1.00 30.41 O ATOM 1538 CG2 THR A 97 -2.419 -0.495 0.366 1.00 32.33 C ATOM 0 H THR A 97 -0.609 1.588 3.656 1.00 23.33 H new ATOM 0 HA THR A 97 -3.262 0.612 2.815 1.00 54.31 H new ATOM 0 HB THR A 97 -0.717 0.534 1.147 1.00 31.55 H new ATOM 0 HG1 THR A 97 -2.798 1.738 -0.121 1.00 30.41 H new ATOM 0 HG21 THR A 97 -2.118 -0.384 -0.676 1.00 32.33 H new ATOM 0 HG22 THR A 97 -2.072 -1.457 0.743 1.00 32.33 H new ATOM 0 HG23 THR A 97 -3.506 -0.448 0.436 1.00 32.33 H new ATOM 1546 N GLU A 98 -2.581 -1.768 3.255 1.00 31.13 N ATOM 1547 CA GLU A 98 -2.287 -3.160 3.580 1.00 44.33 C ATOM 1548 C GLU A 98 -2.500 -3.982 2.308 1.00 11.30 C ATOM 1549 O GLU A 98 -3.511 -3.826 1.624 1.00 24.32 O ATOM 1550 CB GLU A 98 -3.216 -3.680 4.691 1.00 71.12 C ATOM 1551 CG GLU A 98 -3.051 -5.179 5.035 1.00 65.12 C ATOM 1552 CD GLU A 98 -4.196 -5.700 5.903 1.00 21.12 C ATOM 1553 OE1 GLU A 98 -5.304 -5.916 5.362 1.00 1.51 O ATOM 1554 OE2 GLU A 98 -4.018 -5.865 7.128 1.00 71.30 O ATOM 0 H GLU A 98 -3.542 -1.628 2.942 1.00 31.13 H new ATOM 0 HA GLU A 98 -1.262 -3.245 3.941 1.00 44.33 H new ATOM 0 HB2 GLU A 98 -3.041 -3.094 5.594 1.00 71.12 H new ATOM 0 HB3 GLU A 98 -4.249 -3.503 4.392 1.00 71.12 H new ATOM 0 HG2 GLU A 98 -3.003 -5.759 4.113 1.00 65.12 H new ATOM 0 HG3 GLU A 98 -2.105 -5.329 5.555 1.00 65.12 H new ATOM 1561 N LEU A 99 -1.530 -4.815 1.986 1.00 62.24 N ATOM 1562 CA LEU A 99 -1.627 -5.806 0.925 1.00 14.45 C ATOM 1563 C LEU A 99 -1.695 -7.178 1.608 1.00 10.32 C ATOM 1564 O LEU A 99 -0.818 -7.507 2.407 1.00 24.24 O ATOM 1565 CB LEU A 99 -0.398 -5.706 -0.011 1.00 2.02 C ATOM 1566 CG LEU A 99 -0.130 -4.331 -0.694 1.00 12.51 C ATOM 1567 CD1 LEU A 99 1.128 -4.402 -1.580 1.00 22.12 C ATOM 1568 CD2 LEU A 99 -1.357 -3.839 -1.498 1.00 31.45 C ATOM 0 H LEU A 99 -0.629 -4.824 2.465 1.00 62.24 H new ATOM 0 HA LEU A 99 -2.511 -5.645 0.308 1.00 14.45 H new ATOM 0 HB2 LEU A 99 0.487 -5.975 0.565 1.00 2.02 H new ATOM 0 HB3 LEU A 99 -0.509 -6.456 -0.794 1.00 2.02 H new ATOM 0 HG LEU A 99 0.048 -3.599 0.094 1.00 12.51 H new ATOM 0 HD11 LEU A 99 1.298 -3.433 -2.048 1.00 22.12 H new ATOM 0 HD12 LEU A 99 1.990 -4.666 -0.967 1.00 22.12 H new ATOM 0 HD13 LEU A 99 0.987 -5.158 -2.352 1.00 22.12 H new ATOM 0 HD21 LEU A 99 -1.129 -2.878 -1.958 1.00 31.45 H new ATOM 0 HD22 LEU A 99 -1.598 -4.565 -2.275 1.00 31.45 H new ATOM 0 HD23 LEU A 99 -2.210 -3.727 -0.828 1.00 31.45 H new ATOM 1580 N LEU A 100 -2.750 -7.941 1.326 1.00 52.43 N ATOM 1581 CA LEU A 100 -3.000 -9.255 1.948 1.00 32.04 C ATOM 1582 C LEU A 100 -3.181 -10.304 0.856 1.00 5.25 C ATOM 1583 O LEU A 100 -4.067 -10.174 0.046 1.00 14.32 O ATOM 1584 CB LEU A 100 -4.283 -9.190 2.835 1.00 1.24 C ATOM 1585 CG LEU A 100 -4.821 -10.560 3.392 1.00 71.40 C ATOM 1586 CD1 LEU A 100 -3.775 -11.269 4.275 1.00 60.13 C ATOM 1587 CD2 LEU A 100 -6.166 -10.374 4.131 1.00 73.11 C ATOM 0 H LEU A 100 -3.467 -7.668 0.653 1.00 52.43 H new ATOM 0 HA LEU A 100 -2.150 -9.524 2.576 1.00 32.04 H new ATOM 0 HB2 LEU A 100 -4.080 -8.534 3.681 1.00 1.24 H new ATOM 0 HB3 LEU A 100 -5.077 -8.723 2.253 1.00 1.24 H new ATOM 0 HG LEU A 100 -5.005 -11.211 2.537 1.00 71.40 H new ATOM 0 HD11 LEU A 100 -4.185 -12.211 4.640 1.00 60.13 H new ATOM 0 HD12 LEU A 100 -2.878 -11.467 3.689 1.00 60.13 H new ATOM 0 HD13 LEU A 100 -3.522 -10.631 5.122 1.00 60.13 H new ATOM 0 HD21 LEU A 100 -6.512 -11.338 4.504 1.00 73.11 H new ATOM 0 HD22 LEU A 100 -6.030 -9.688 4.967 1.00 73.11 H new ATOM 0 HD23 LEU A 100 -6.906 -9.964 3.443 1.00 73.11 H new ATOM 1599 N LEU A 101 -2.354 -11.342 0.844 1.00 74.21 N ATOM 1600 CA LEU A 101 -2.532 -12.492 -0.051 1.00 12.14 C ATOM 1601 C LEU A 101 -3.076 -13.651 0.790 1.00 4.54 C ATOM 1602 O LEU A 101 -2.453 -14.023 1.788 1.00 42.23 O ATOM 1603 CB LEU A 101 -1.196 -12.885 -0.708 1.00 60.40 C ATOM 1604 CG LEU A 101 -1.232 -14.141 -1.642 1.00 64.02 C ATOM 1605 CD1 LEU A 101 -1.949 -13.838 -2.975 1.00 74.05 C ATOM 1606 CD2 LEU A 101 0.182 -14.695 -1.863 1.00 45.12 C ATOM 0 H LEU A 101 -1.539 -11.416 1.453 1.00 74.21 H new ATOM 0 HA LEU A 101 -3.226 -12.242 -0.853 1.00 12.14 H new ATOM 0 HB2 LEU A 101 -0.836 -12.036 -1.289 1.00 60.40 H new ATOM 0 HB3 LEU A 101 -0.465 -13.065 0.081 1.00 60.40 H new ATOM 0 HG LEU A 101 -1.815 -14.915 -1.143 1.00 64.02 H new ATOM 0 HD11 LEU A 101 -1.954 -14.733 -3.597 1.00 74.05 H new ATOM 0 HD12 LEU A 101 -2.975 -13.529 -2.774 1.00 74.05 H new ATOM 0 HD13 LEU A 101 -1.425 -13.037 -3.496 1.00 74.05 H new ATOM 0 HD21 LEU A 101 0.133 -15.567 -2.515 1.00 45.12 H new ATOM 0 HD22 LEU A 101 0.804 -13.930 -2.327 1.00 45.12 H new ATOM 0 HD23 LEU A 101 0.614 -14.982 -0.904 1.00 45.12 H new ATOM 1618 N GLU A 102 -4.231 -14.206 0.380 1.00 11.53 N ATOM 1619 CA GLU A 102 -4.941 -15.253 1.142 1.00 53.44 C ATOM 1620 C GLU A 102 -4.126 -16.570 1.199 1.00 65.11 C ATOM 1621 O GLU A 102 -3.341 -16.851 0.283 1.00 11.53 O ATOM 1622 CB GLU A 102 -6.326 -15.539 0.511 1.00 5.12 C ATOM 1623 CG GLU A 102 -7.234 -14.305 0.328 1.00 11.04 C ATOM 1624 CD GLU A 102 -8.644 -14.690 -0.145 1.00 65.51 C ATOM 1625 OE1 GLU A 102 -8.763 -15.339 -1.201 1.00 2.03 O ATOM 1626 OE2 GLU A 102 -9.631 -14.393 0.558 1.00 11.33 O ATOM 0 H GLU A 102 -4.699 -13.943 -0.487 1.00 11.53 H new ATOM 0 HA GLU A 102 -5.070 -14.880 2.158 1.00 53.44 H new ATOM 0 HB2 GLU A 102 -6.174 -16.006 -0.462 1.00 5.12 H new ATOM 0 HB3 GLU A 102 -6.848 -16.265 1.134 1.00 5.12 H new ATOM 0 HG2 GLU A 102 -7.304 -13.764 1.272 1.00 11.04 H new ATOM 0 HG3 GLU A 102 -6.782 -13.627 -0.396 1.00 11.04 H new ATOM 1633 N PRO A 103 -4.292 -17.400 2.286 1.00 44.51 N ATOM 1634 CA PRO A 103 -3.669 -18.740 2.353 1.00 42.21 C ATOM 1635 C PRO A 103 -4.343 -19.754 1.400 1.00 74.51 C ATOM 1636 O PRO A 103 -3.649 -20.533 0.725 1.00 10.23 O ATOM 1637 CB PRO A 103 -3.829 -19.136 3.846 1.00 40.44 C ATOM 1638 CG PRO A 103 -5.041 -18.382 4.317 1.00 3.34 C ATOM 1639 CD PRO A 103 -5.050 -17.078 3.536 1.00 0.31 C ATOM 0 HA PRO A 103 -2.629 -18.735 2.028 1.00 42.21 H new ATOM 0 HB2 PRO A 103 -3.965 -20.212 3.957 1.00 40.44 H new ATOM 0 HB3 PRO A 103 -2.945 -18.865 4.424 1.00 40.44 H new ATOM 0 HG2 PRO A 103 -5.951 -18.953 4.134 1.00 3.34 H new ATOM 0 HG3 PRO A 103 -4.992 -18.195 5.390 1.00 3.34 H new ATOM 0 HD2 PRO A 103 -6.066 -16.753 3.314 1.00 0.31 H new ATOM 0 HD3 PRO A 103 -4.573 -16.274 4.096 1.00 0.31 H new ATOM 1647 N GLY A 104 -5.690 -19.712 1.339 1.00 64.25 N ATOM 1648 CA GLY A 104 -6.477 -20.652 0.539 1.00 42.13 C ATOM 1649 C GLY A 104 -6.372 -20.396 -0.959 1.00 45.25 C ATOM 1650 O GLY A 104 -6.194 -21.332 -1.744 1.00 44.45 O ATOM 0 H GLY A 104 -6.253 -19.027 1.843 1.00 64.25 H new ATOM 0 HA2 GLY A 104 -6.145 -21.668 0.752 1.00 42.13 H new ATOM 0 HA3 GLY A 104 -7.523 -20.589 0.840 1.00 42.13 H new ATOM 1654 N ASN A 105 -6.478 -19.117 -1.353 1.00 23.40 N ATOM 1655 CA ASN A 105 -6.528 -18.698 -2.773 1.00 75.53 C ATOM 1656 C ASN A 105 -5.431 -17.668 -3.070 1.00 43.53 C ATOM 1657 O ASN A 105 -5.036 -16.902 -2.185 1.00 51.03 O ATOM 1658 CB ASN A 105 -7.924 -18.080 -3.085 1.00 0.21 C ATOM 1659 CG ASN A 105 -8.141 -17.702 -4.555 1.00 54.44 C ATOM 1660 OD1 ASN A 105 -7.635 -18.362 -5.460 1.00 5.42 O ATOM 1661 ND2 ASN A 105 -8.891 -16.633 -4.805 1.00 62.40 N ATOM 0 H ASN A 105 -6.532 -18.338 -0.697 1.00 23.40 H new ATOM 0 HA ASN A 105 -6.364 -19.573 -3.402 1.00 75.53 H new ATOM 0 HB2 ASN A 105 -8.696 -18.790 -2.789 1.00 0.21 H new ATOM 0 HB3 ASN A 105 -8.058 -17.189 -2.471 1.00 0.21 H new ATOM 0 HD21 ASN A 105 -9.059 -16.342 -5.768 1.00 62.40 H new ATOM 0 HD22 ASN A 105 -9.298 -16.104 -4.034 1.00 62.40 H new ATOM 1668 N SER A 106 -4.942 -17.657 -4.325 1.00 73.44 N ATOM 1669 CA SER A 106 -4.085 -16.583 -4.838 1.00 63.23 C ATOM 1670 C SER A 106 -4.964 -15.365 -5.186 1.00 44.25 C ATOM 1671 O SER A 106 -5.354 -15.146 -6.336 1.00 23.22 O ATOM 1672 CB SER A 106 -3.258 -17.074 -6.048 1.00 63.21 C ATOM 1673 OG SER A 106 -2.432 -18.167 -5.685 1.00 24.15 O ATOM 0 H SER A 106 -5.132 -18.392 -5.006 1.00 73.44 H new ATOM 0 HA SER A 106 -3.367 -16.282 -4.075 1.00 63.23 H new ATOM 0 HB2 SER A 106 -3.928 -17.371 -6.855 1.00 63.21 H new ATOM 0 HB3 SER A 106 -2.643 -16.258 -6.428 1.00 63.21 H new ATOM 0 HG SER A 106 -1.919 -18.463 -6.466 1.00 24.15 H new ATOM 1679 N GLU A 107 -5.350 -14.643 -4.134 1.00 34.31 N ATOM 1680 CA GLU A 107 -6.122 -13.403 -4.217 1.00 11.25 C ATOM 1681 C GLU A 107 -5.497 -12.384 -3.258 1.00 32.54 C ATOM 1682 O GLU A 107 -5.095 -12.744 -2.147 1.00 62.23 O ATOM 1683 CB GLU A 107 -7.594 -13.678 -3.831 1.00 74.12 C ATOM 1684 CG GLU A 107 -8.517 -12.445 -3.862 1.00 44.23 C ATOM 1685 CD GLU A 107 -9.872 -12.692 -3.179 1.00 52.13 C ATOM 1686 OE1 GLU A 107 -10.753 -13.324 -3.799 1.00 43.33 O ATOM 1687 OE2 GLU A 107 -10.061 -12.263 -2.017 1.00 34.33 O ATOM 0 H GLU A 107 -5.129 -14.911 -3.175 1.00 34.31 H new ATOM 0 HA GLU A 107 -6.104 -13.010 -5.233 1.00 11.25 H new ATOM 0 HB2 GLU A 107 -7.997 -14.431 -4.508 1.00 74.12 H new ATOM 0 HB3 GLU A 107 -7.617 -14.105 -2.828 1.00 74.12 H new ATOM 0 HG2 GLU A 107 -8.016 -11.610 -3.372 1.00 44.23 H new ATOM 0 HG3 GLU A 107 -8.687 -12.151 -4.898 1.00 44.23 H new ATOM 1694 N MET A 108 -5.424 -11.121 -3.691 1.00 44.25 N ATOM 1695 CA MET A 108 -4.869 -10.025 -2.898 1.00 2.44 C ATOM 1696 C MET A 108 -5.990 -9.045 -2.534 1.00 70.22 C ATOM 1697 O MET A 108 -6.755 -8.625 -3.399 1.00 21.55 O ATOM 1698 CB MET A 108 -3.739 -9.272 -3.647 1.00 43.22 C ATOM 1699 CG MET A 108 -3.036 -8.199 -2.781 1.00 72.15 C ATOM 1700 SD MET A 108 -1.816 -7.229 -3.683 1.00 53.40 S ATOM 1701 CE MET A 108 -0.646 -8.488 -4.177 1.00 64.32 C ATOM 0 H MET A 108 -5.753 -10.830 -4.612 1.00 44.25 H new ATOM 0 HA MET A 108 -4.432 -10.454 -1.997 1.00 2.44 H new ATOM 0 HB2 MET A 108 -2.998 -9.993 -3.991 1.00 43.22 H new ATOM 0 HB3 MET A 108 -4.156 -8.796 -4.534 1.00 43.22 H new ATOM 0 HG2 MET A 108 -3.789 -7.527 -2.368 1.00 72.15 H new ATOM 0 HG3 MET A 108 -2.548 -8.688 -1.938 1.00 72.15 H new ATOM 0 HE1 MET A 108 0.239 -8.015 -4.602 1.00 64.32 H new ATOM 0 HE2 MET A 108 -0.359 -9.079 -3.307 1.00 64.32 H new ATOM 0 HE3 MET A 108 -1.104 -9.138 -4.923 1.00 64.32 H new ATOM 1711 N GLN A 109 -6.069 -8.709 -1.248 1.00 35.35 N ATOM 1712 CA GLN A 109 -7.005 -7.752 -0.680 1.00 52.44 C ATOM 1713 C GLN A 109 -6.207 -6.502 -0.273 1.00 50.23 C ATOM 1714 O GLN A 109 -5.241 -6.593 0.491 1.00 43.35 O ATOM 1715 CB GLN A 109 -7.703 -8.397 0.540 1.00 53.11 C ATOM 1716 CG GLN A 109 -8.484 -9.686 0.206 1.00 32.03 C ATOM 1717 CD GLN A 109 -9.172 -10.328 1.416 1.00 0.21 C ATOM 1718 OE1 GLN A 109 -9.541 -9.648 2.374 1.00 10.24 O ATOM 1719 NE2 GLN A 109 -9.375 -11.632 1.375 1.00 61.11 N ATOM 0 H GLN A 109 -5.453 -9.117 -0.545 1.00 35.35 H new ATOM 0 HA GLN A 109 -7.775 -7.468 -1.398 1.00 52.44 H new ATOM 0 HB2 GLN A 109 -6.952 -8.625 1.297 1.00 53.11 H new ATOM 0 HB3 GLN A 109 -8.389 -7.672 0.979 1.00 53.11 H new ATOM 0 HG2 GLN A 109 -9.237 -9.458 -0.548 1.00 32.03 H new ATOM 0 HG3 GLN A 109 -7.799 -10.410 -0.236 1.00 32.03 H new ATOM 0 HE21 GLN A 109 -9.059 -12.172 0.569 1.00 61.11 H new ATOM 0 HE22 GLN A 109 -9.848 -12.099 2.149 1.00 61.11 H new ATOM 1728 N ILE A 110 -6.615 -5.358 -0.814 1.00 12.31 N ATOM 1729 CA ILE A 110 -5.930 -4.066 -0.656 1.00 45.44 C ATOM 1730 C ILE A 110 -6.799 -3.179 0.257 1.00 23.13 C ATOM 1731 O ILE A 110 -7.908 -2.791 -0.127 1.00 41.42 O ATOM 1732 CB ILE A 110 -5.692 -3.326 -2.049 1.00 10.34 C ATOM 1733 CG1 ILE A 110 -4.782 -4.158 -3.039 1.00 4.44 C ATOM 1734 CG2 ILE A 110 -5.106 -1.904 -1.834 1.00 1.53 C ATOM 1735 CD1 ILE A 110 -5.470 -5.308 -3.770 1.00 53.54 C ATOM 0 H ILE A 110 -7.454 -5.296 -1.391 1.00 12.31 H new ATOM 0 HA ILE A 110 -4.946 -4.246 -0.222 1.00 45.44 H new ATOM 0 HB ILE A 110 -6.671 -3.235 -2.519 1.00 10.34 H new ATOM 0 HG12 ILE A 110 -4.369 -3.476 -3.782 1.00 4.44 H new ATOM 0 HG13 ILE A 110 -3.941 -4.562 -2.476 1.00 4.44 H new ATOM 0 HG21 ILE A 110 -4.954 -1.423 -2.800 1.00 1.53 H new ATOM 0 HG22 ILE A 110 -5.800 -1.311 -1.239 1.00 1.53 H new ATOM 0 HG23 ILE A 110 -4.152 -1.979 -1.312 1.00 1.53 H new ATOM 0 HD11 ILE A 110 -4.752 -5.807 -4.420 1.00 53.54 H new ATOM 0 HD12 ILE A 110 -5.858 -6.021 -3.043 1.00 53.54 H new ATOM 0 HD13 ILE A 110 -6.292 -4.918 -4.370 1.00 53.54 H new ATOM 1747 N SER A 111 -6.282 -2.848 1.451 1.00 72.10 N ATOM 1748 CA SER A 111 -6.978 -2.010 2.433 1.00 20.14 C ATOM 1749 C SER A 111 -6.306 -0.635 2.457 1.00 34.14 C ATOM 1750 O SER A 111 -5.202 -0.501 2.991 1.00 11.20 O ATOM 1751 CB SER A 111 -6.898 -2.681 3.830 1.00 13.24 C ATOM 1752 OG SER A 111 -7.335 -4.034 3.778 1.00 32.54 O ATOM 0 H SER A 111 -5.361 -3.158 1.762 1.00 72.10 H new ATOM 0 HA SER A 111 -8.028 -1.895 2.165 1.00 20.14 H new ATOM 0 HB2 SER A 111 -5.872 -2.641 4.197 1.00 13.24 H new ATOM 0 HB3 SER A 111 -7.512 -2.125 4.539 1.00 13.24 H new ATOM 0 HG SER A 111 -6.702 -4.601 4.266 1.00 32.54 H new ATOM 1758 N VAL A 112 -6.956 0.383 1.869 1.00 72.33 N ATOM 1759 CA VAL A 112 -6.406 1.749 1.824 1.00 51.34 C ATOM 1760 C VAL A 112 -7.126 2.597 2.882 1.00 60.54 C ATOM 1761 O VAL A 112 -8.353 2.739 2.843 1.00 3.30 O ATOM 1762 CB VAL A 112 -6.554 2.431 0.410 1.00 52.21 C ATOM 1763 CG1 VAL A 112 -5.726 3.746 0.348 1.00 75.24 C ATOM 1764 CG2 VAL A 112 -6.154 1.468 -0.733 1.00 45.11 C ATOM 0 H VAL A 112 -7.865 0.286 1.417 1.00 72.33 H new ATOM 0 HA VAL A 112 -5.337 1.683 2.026 1.00 51.34 H new ATOM 0 HB VAL A 112 -7.606 2.680 0.270 1.00 52.21 H new ATOM 0 HG11 VAL A 112 -5.841 4.202 -0.635 1.00 75.24 H new ATOM 0 HG12 VAL A 112 -6.082 4.437 1.112 1.00 75.24 H new ATOM 0 HG13 VAL A 112 -4.674 3.522 0.524 1.00 75.24 H new ATOM 0 HG21 VAL A 112 -6.269 1.974 -1.692 1.00 45.11 H new ATOM 0 HG22 VAL A 112 -5.115 1.164 -0.606 1.00 45.11 H new ATOM 0 HG23 VAL A 112 -6.796 0.587 -0.708 1.00 45.11 H new ATOM 1774 N LYS A 113 -6.345 3.128 3.829 1.00 10.23 N ATOM 1775 CA LYS A 113 -6.807 4.010 4.905 1.00 15.23 C ATOM 1776 C LYS A 113 -5.817 5.176 4.960 1.00 70.30 C ATOM 1777 O LYS A 113 -4.623 4.954 5.148 1.00 71.10 O ATOM 1778 CB LYS A 113 -6.855 3.267 6.283 1.00 21.34 C ATOM 1779 CG LYS A 113 -7.404 1.822 6.217 1.00 33.13 C ATOM 1780 CD LYS A 113 -7.862 1.269 7.580 1.00 65.12 C ATOM 1781 CE LYS A 113 -6.787 1.314 8.661 1.00 74.24 C ATOM 1782 NZ LYS A 113 -7.266 0.694 9.923 1.00 44.23 N ATOM 0 H LYS A 113 -5.342 2.950 3.868 1.00 10.23 H new ATOM 0 HA LYS A 113 -7.823 4.353 4.707 1.00 15.23 H new ATOM 0 HB2 LYS A 113 -5.849 3.241 6.702 1.00 21.34 H new ATOM 0 HB3 LYS A 113 -7.472 3.845 6.971 1.00 21.34 H new ATOM 0 HG2 LYS A 113 -8.244 1.794 5.523 1.00 33.13 H new ATOM 0 HG3 LYS A 113 -6.632 1.168 5.811 1.00 33.13 H new ATOM 0 HD2 LYS A 113 -8.728 1.838 7.919 1.00 65.12 H new ATOM 0 HD3 LYS A 113 -8.189 0.237 7.450 1.00 65.12 H new ATOM 0 HE2 LYS A 113 -5.895 0.793 8.312 1.00 74.24 H new ATOM 0 HE3 LYS A 113 -6.499 2.348 8.848 1.00 74.24 H new ATOM 0 HZ1 LYS A 113 -6.630 0.958 10.703 1.00 44.23 H new ATOM 0 HZ2 LYS A 113 -8.228 1.030 10.132 1.00 44.23 H new ATOM 0 HZ3 LYS A 113 -7.275 -0.341 9.820 1.00 44.23 H new ATOM 1796 N GLN A 114 -6.293 6.402 4.804 1.00 72.21 N ATOM 1797 CA GLN A 114 -5.432 7.587 4.684 1.00 31.51 C ATOM 1798 C GLN A 114 -5.987 8.699 5.575 1.00 2.45 C ATOM 1799 O GLN A 114 -7.192 8.743 5.838 1.00 3.31 O ATOM 1800 CB GLN A 114 -5.316 8.018 3.193 1.00 63.35 C ATOM 1801 CG GLN A 114 -6.650 8.284 2.470 1.00 31.33 C ATOM 1802 CD GLN A 114 -6.486 8.452 0.952 1.00 23.14 C ATOM 1803 OE1 GLN A 114 -6.547 7.486 0.198 1.00 23.40 O ATOM 1804 NE2 GLN A 114 -6.249 9.674 0.493 1.00 3.22 N ATOM 0 H GLN A 114 -7.290 6.612 4.756 1.00 72.21 H new ATOM 0 HA GLN A 114 -4.422 7.358 5.023 1.00 31.51 H new ATOM 0 HB2 GLN A 114 -4.709 8.922 3.141 1.00 63.35 H new ATOM 0 HB3 GLN A 114 -4.778 7.241 2.650 1.00 63.35 H new ATOM 0 HG2 GLN A 114 -7.335 7.459 2.667 1.00 31.33 H new ATOM 0 HG3 GLN A 114 -7.108 9.183 2.882 1.00 31.33 H new ATOM 0 HE21 GLN A 114 -6.203 10.462 1.140 1.00 3.22 H new ATOM 0 HE22 GLN A 114 -6.113 9.826 -0.506 1.00 3.22 H new ATOM 1813 N ASN A 115 -5.095 9.595 6.035 1.00 23.15 N ATOM 1814 CA ASN A 115 -5.439 10.640 7.015 1.00 60.12 C ATOM 1815 C ASN A 115 -6.415 11.627 6.365 1.00 71.51 C ATOM 1816 O ASN A 115 -7.521 11.840 6.866 1.00 13.33 O ATOM 1817 CB ASN A 115 -4.163 11.352 7.547 1.00 33.23 C ATOM 1818 CG ASN A 115 -4.444 12.525 8.513 1.00 50.21 C ATOM 1819 OD1 ASN A 115 -5.465 12.576 9.207 1.00 51.24 O ATOM 1820 ND2 ASN A 115 -3.516 13.457 8.593 1.00 40.53 N ATOM 0 H ASN A 115 -4.119 9.615 5.739 1.00 23.15 H new ATOM 0 HA ASN A 115 -5.922 10.186 7.880 1.00 60.12 H new ATOM 0 HB2 ASN A 115 -3.538 10.619 8.057 1.00 33.23 H new ATOM 0 HB3 ASN A 115 -3.589 11.725 6.699 1.00 33.23 H new ATOM 0 HD21 ASN A 115 -3.633 14.239 9.237 1.00 40.53 H new ATOM 0 HD22 ASN A 115 -2.680 13.396 8.011 1.00 40.53 H new ATOM 1827 N GLU A 116 -6.006 12.174 5.213 1.00 4.34 N ATOM 1828 CA GLU A 116 -6.845 13.071 4.407 1.00 33.42 C ATOM 1829 C GLU A 116 -7.174 12.378 3.083 1.00 32.33 C ATOM 1830 O GLU A 116 -6.296 12.200 2.230 1.00 54.34 O ATOM 1831 CB GLU A 116 -6.103 14.405 4.168 1.00 52.11 C ATOM 1832 CG GLU A 116 -5.652 15.092 5.467 1.00 32.31 C ATOM 1833 CD GLU A 116 -4.848 16.360 5.206 1.00 41.00 C ATOM 1834 OE1 GLU A 116 -3.635 16.259 4.941 1.00 32.00 O ATOM 1835 OE2 GLU A 116 -5.423 17.465 5.256 1.00 14.53 O ATOM 0 H GLU A 116 -5.083 12.007 4.813 1.00 4.34 H new ATOM 0 HA GLU A 116 -7.775 13.293 4.931 1.00 33.42 H new ATOM 0 HB2 GLU A 116 -5.231 14.220 3.541 1.00 52.11 H new ATOM 0 HB3 GLU A 116 -6.755 15.081 3.615 1.00 52.11 H new ATOM 0 HG2 GLU A 116 -6.528 15.338 6.068 1.00 32.31 H new ATOM 0 HG3 GLU A 116 -5.049 14.397 6.052 1.00 32.31 H new ATOM 1842 N ALA A 117 -8.431 11.939 2.948 1.00 45.22 N ATOM 1843 CA ALA A 117 -8.924 11.279 1.740 1.00 25.21 C ATOM 1844 C ALA A 117 -9.405 12.313 0.708 1.00 25.03 C ATOM 1845 O ALA A 117 -10.358 13.057 0.966 1.00 22.12 O ATOM 1846 CB ALA A 117 -10.049 10.306 2.119 1.00 42.34 C ATOM 0 H ALA A 117 -9.136 12.034 3.679 1.00 45.22 H new ATOM 0 HA ALA A 117 -8.112 10.717 1.279 1.00 25.21 H new ATOM 0 HB1 ALA A 117 -10.420 9.811 1.221 1.00 42.34 H new ATOM 0 HB2 ALA A 117 -9.665 9.558 2.813 1.00 42.34 H new ATOM 0 HB3 ALA A 117 -10.862 10.856 2.592 1.00 42.34 H new ATOM 1852 N ARG A 118 -8.720 12.372 -0.438 1.00 63.50 N ATOM 1853 CA ARG A 118 -9.181 13.098 -1.628 1.00 15.32 C ATOM 1854 C ARG A 118 -9.535 12.044 -2.673 1.00 10.42 C ATOM 1855 O ARG A 118 -8.802 11.061 -2.800 1.00 14.12 O ATOM 1856 CB ARG A 118 -8.078 14.074 -2.133 1.00 4.11 C ATOM 1857 CG ARG A 118 -8.534 15.056 -3.243 1.00 43.23 C ATOM 1858 CD ARG A 118 -7.625 16.302 -3.372 1.00 43.41 C ATOM 1859 NE ARG A 118 -6.322 16.032 -4.009 1.00 22.22 N ATOM 1860 CZ ARG A 118 -5.129 15.996 -3.390 1.00 21.43 C ATOM 1861 NH1 ARG A 118 -5.010 16.181 -2.079 1.00 43.33 N ATOM 1862 NH2 ARG A 118 -4.047 15.783 -4.106 1.00 33.24 N ATOM 0 H ARG A 118 -7.819 11.912 -0.568 1.00 63.50 H new ATOM 0 HA ARG A 118 -10.053 13.714 -1.409 1.00 15.32 H new ATOM 0 HB2 ARG A 118 -7.709 14.652 -1.286 1.00 4.11 H new ATOM 0 HB3 ARG A 118 -7.239 13.488 -2.509 1.00 4.11 H new ATOM 0 HG2 ARG A 118 -8.554 14.530 -4.197 1.00 43.23 H new ATOM 0 HG3 ARG A 118 -9.554 15.379 -3.035 1.00 43.23 H new ATOM 0 HD2 ARG A 118 -8.149 17.063 -3.950 1.00 43.41 H new ATOM 0 HD3 ARG A 118 -7.453 16.718 -2.379 1.00 43.41 H new ATOM 0 HE ARG A 118 -6.327 15.856 -5.014 1.00 22.22 H new ATOM 0 HH11 ARG A 118 -5.839 16.357 -1.511 1.00 43.33 H new ATOM 0 HH12 ARG A 118 -4.090 16.147 -1.641 1.00 43.33 H new ATOM 0 HH21 ARG A 118 -4.121 15.648 -5.114 1.00 33.24 H new ATOM 0 HH22 ARG A 118 -3.134 15.752 -3.653 1.00 33.24 H new ATOM 1876 N THR A 119 -10.657 12.221 -3.390 1.00 52.15 N ATOM 1877 CA THR A 119 -11.103 11.255 -4.418 1.00 0.41 C ATOM 1878 C THR A 119 -10.022 11.061 -5.495 1.00 5.23 C ATOM 1879 O THR A 119 -9.802 9.945 -5.960 1.00 50.01 O ATOM 1880 CB THR A 119 -12.454 11.683 -5.077 1.00 73.33 C ATOM 1881 OG1 THR A 119 -12.353 13.026 -5.567 1.00 52.43 O ATOM 1882 CG2 THR A 119 -13.635 11.574 -4.089 1.00 22.02 C ATOM 0 H THR A 119 -11.275 13.024 -3.279 1.00 52.15 H new ATOM 0 HA THR A 119 -11.269 10.304 -3.911 1.00 0.41 H new ATOM 0 HB THR A 119 -12.649 11.001 -5.905 1.00 73.33 H new ATOM 0 HG1 THR A 119 -13.202 13.288 -5.980 1.00 52.43 H new ATOM 0 HG21 THR A 119 -14.555 11.881 -4.587 1.00 22.02 H new ATOM 0 HG22 THR A 119 -13.732 10.543 -3.750 1.00 22.02 H new ATOM 0 HG23 THR A 119 -13.453 12.222 -3.232 1.00 22.02 H new ATOM 1890 N GLU A 120 -9.339 12.168 -5.854 1.00 3.14 N ATOM 1891 CA GLU A 120 -8.202 12.145 -6.779 1.00 34.53 C ATOM 1892 C GLU A 120 -7.091 11.208 -6.277 1.00 52.52 C ATOM 1893 O GLU A 120 -6.700 10.280 -6.984 1.00 72.11 O ATOM 1894 CB GLU A 120 -7.621 13.564 -6.955 1.00 70.53 C ATOM 1895 CG GLU A 120 -6.337 13.624 -7.819 1.00 2.35 C ATOM 1896 CD GLU A 120 -5.696 15.010 -7.851 1.00 42.41 C ATOM 1897 OE1 GLU A 120 -5.181 15.449 -6.807 1.00 1.33 O ATOM 1898 OE2 GLU A 120 -5.686 15.659 -8.915 1.00 73.35 O ATOM 0 H GLU A 120 -9.566 13.100 -5.507 1.00 3.14 H new ATOM 0 HA GLU A 120 -8.569 11.775 -7.736 1.00 34.53 H new ATOM 0 HB2 GLU A 120 -8.380 14.201 -7.409 1.00 70.53 H new ATOM 0 HB3 GLU A 120 -7.403 13.979 -5.971 1.00 70.53 H new ATOM 0 HG2 GLU A 120 -5.614 12.905 -7.433 1.00 2.35 H new ATOM 0 HG3 GLU A 120 -6.578 13.319 -8.837 1.00 2.35 H new ATOM 1905 N THR A 121 -6.624 11.445 -5.034 1.00 51.05 N ATOM 1906 CA THR A 121 -5.459 10.743 -4.481 1.00 31.31 C ATOM 1907 C THR A 121 -5.749 9.264 -4.269 1.00 24.22 C ATOM 1908 O THR A 121 -4.922 8.433 -4.612 1.00 53.22 O ATOM 1909 CB THR A 121 -4.969 11.377 -3.145 1.00 11.22 C ATOM 1910 OG1 THR A 121 -6.051 11.497 -2.201 1.00 30.14 O ATOM 1911 CG2 THR A 121 -4.328 12.742 -3.372 1.00 1.25 C ATOM 0 H THR A 121 -7.042 12.122 -4.395 1.00 51.05 H new ATOM 0 HA THR A 121 -4.663 10.846 -5.218 1.00 31.31 H new ATOM 0 HB THR A 121 -4.213 10.708 -2.734 1.00 11.22 H new ATOM 0 HG1 THR A 121 -6.900 11.299 -2.649 1.00 30.14 H new ATOM 0 HG21 THR A 121 -3.999 13.153 -2.417 1.00 1.25 H new ATOM 0 HG22 THR A 121 -3.470 12.635 -4.036 1.00 1.25 H new ATOM 0 HG23 THR A 121 -5.056 13.415 -3.825 1.00 1.25 H new ATOM 1919 N LEU A 122 -6.931 8.965 -3.709 1.00 21.50 N ATOM 1920 CA LEU A 122 -7.365 7.596 -3.413 1.00 22.41 C ATOM 1921 C LEU A 122 -7.436 6.755 -4.702 1.00 13.24 C ATOM 1922 O LEU A 122 -6.762 5.728 -4.798 1.00 42.40 O ATOM 1923 CB LEU A 122 -8.733 7.631 -2.679 1.00 2.00 C ATOM 1924 CG LEU A 122 -9.362 6.252 -2.284 1.00 32.51 C ATOM 1925 CD1 LEU A 122 -8.403 5.393 -1.442 1.00 1.31 C ATOM 1926 CD2 LEU A 122 -10.697 6.449 -1.544 1.00 11.12 C ATOM 0 H LEU A 122 -7.616 9.674 -3.448 1.00 21.50 H new ATOM 0 HA LEU A 122 -6.635 7.121 -2.758 1.00 22.41 H new ATOM 0 HB2 LEU A 122 -8.616 8.223 -1.771 1.00 2.00 H new ATOM 0 HB3 LEU A 122 -9.445 8.159 -3.314 1.00 2.00 H new ATOM 0 HG LEU A 122 -9.551 5.713 -3.213 1.00 32.51 H new ATOM 0 HD11 LEU A 122 -8.885 4.447 -1.193 1.00 1.31 H new ATOM 0 HD12 LEU A 122 -7.494 5.199 -2.011 1.00 1.31 H new ATOM 0 HD13 LEU A 122 -8.150 5.924 -0.524 1.00 1.31 H new ATOM 0 HD21 LEU A 122 -11.114 5.477 -1.280 1.00 11.12 H new ATOM 0 HD22 LEU A 122 -10.528 7.029 -0.637 1.00 11.12 H new ATOM 0 HD23 LEU A 122 -11.396 6.980 -2.190 1.00 11.12 H new ATOM 1938 N ASN A 123 -8.195 7.246 -5.709 1.00 62.42 N ATOM 1939 CA ASN A 123 -8.411 6.523 -6.988 1.00 34.21 C ATOM 1940 C ASN A 123 -7.082 6.312 -7.732 1.00 54.25 C ATOM 1941 O ASN A 123 -6.790 5.208 -8.200 1.00 42.34 O ATOM 1942 CB ASN A 123 -9.420 7.282 -7.906 1.00 54.15 C ATOM 1943 CG ASN A 123 -10.836 7.360 -7.326 1.00 31.22 C ATOM 1944 OD1 ASN A 123 -11.279 6.474 -6.593 1.00 35.21 O ATOM 1945 ND2 ASN A 123 -11.554 8.428 -7.640 1.00 22.21 N ATOM 0 H ASN A 123 -8.672 8.146 -5.661 1.00 62.42 H new ATOM 0 HA ASN A 123 -8.834 5.549 -6.743 1.00 34.21 H new ATOM 0 HB2 ASN A 123 -9.051 8.293 -8.080 1.00 54.15 H new ATOM 0 HB3 ASN A 123 -9.460 6.786 -8.876 1.00 54.15 H new ATOM 0 HD21 ASN A 123 -12.500 8.533 -7.273 1.00 22.21 H new ATOM 0 HD22 ASN A 123 -11.161 9.146 -8.249 1.00 22.21 H new ATOM 1952 N SER A 124 -6.269 7.378 -7.790 1.00 51.54 N ATOM 1953 CA SER A 124 -4.991 7.374 -8.517 1.00 70.21 C ATOM 1954 C SER A 124 -3.930 6.500 -7.805 1.00 3.12 C ATOM 1955 O SER A 124 -3.121 5.859 -8.473 1.00 42.40 O ATOM 1956 CB SER A 124 -4.487 8.820 -8.700 1.00 41.45 C ATOM 1957 OG SER A 124 -5.421 9.602 -9.428 1.00 22.43 O ATOM 0 H SER A 124 -6.479 8.266 -7.335 1.00 51.54 H new ATOM 0 HA SER A 124 -5.159 6.932 -9.499 1.00 70.21 H new ATOM 0 HB2 SER A 124 -4.312 9.273 -7.724 1.00 41.45 H new ATOM 0 HB3 SER A 124 -3.531 8.811 -9.223 1.00 41.45 H new ATOM 0 HG SER A 124 -6.062 10.008 -8.807 1.00 22.43 H new ATOM 1963 N PHE A 125 -3.971 6.456 -6.453 1.00 33.12 N ATOM 1964 CA PHE A 125 -3.020 5.663 -5.632 1.00 3.54 C ATOM 1965 C PHE A 125 -3.250 4.162 -5.871 1.00 64.14 C ATOM 1966 O PHE A 125 -2.295 3.390 -6.012 1.00 44.55 O ATOM 1967 CB PHE A 125 -3.186 6.004 -4.124 1.00 73.40 C ATOM 1968 CG PHE A 125 -2.130 5.391 -3.202 1.00 73.12 C ATOM 1969 CD1 PHE A 125 -0.937 6.068 -2.938 1.00 23.25 C ATOM 1970 CD2 PHE A 125 -2.326 4.147 -2.590 1.00 31.13 C ATOM 1971 CE1 PHE A 125 0.020 5.519 -2.107 1.00 10.31 C ATOM 1972 CE2 PHE A 125 -1.364 3.603 -1.763 1.00 71.33 C ATOM 1973 CZ PHE A 125 -0.195 4.291 -1.515 1.00 32.01 C ATOM 0 H PHE A 125 -4.660 6.966 -5.900 1.00 33.12 H new ATOM 0 HA PHE A 125 -2.002 5.917 -5.929 1.00 3.54 H new ATOM 0 HB2 PHE A 125 -3.163 7.088 -4.007 1.00 73.40 H new ATOM 0 HB3 PHE A 125 -4.170 5.669 -3.797 1.00 73.40 H new ATOM 0 HD1 PHE A 125 -0.761 7.033 -3.389 1.00 23.25 H new ATOM 0 HD2 PHE A 125 -3.243 3.605 -2.768 1.00 31.13 H new ATOM 0 HE1 PHE A 125 0.940 6.053 -1.920 1.00 10.31 H new ATOM 0 HE2 PHE A 125 -1.527 2.637 -1.309 1.00 71.33 H new ATOM 0 HZ PHE A 125 0.552 3.869 -0.858 1.00 32.01 H new ATOM 1983 N ILE A 126 -4.538 3.776 -5.906 1.00 1.51 N ATOM 1984 CA ILE A 126 -4.967 2.399 -6.189 1.00 31.00 C ATOM 1985 C ILE A 126 -4.574 2.014 -7.627 1.00 64.41 C ATOM 1986 O ILE A 126 -4.117 0.900 -7.859 1.00 71.15 O ATOM 1987 CB ILE A 126 -6.516 2.235 -5.990 1.00 62.54 C ATOM 1988 CG1 ILE A 126 -6.933 2.643 -4.541 1.00 13.44 C ATOM 1989 CG2 ILE A 126 -6.979 0.789 -6.307 1.00 11.11 C ATOM 1990 CD1 ILE A 126 -8.420 2.866 -4.352 1.00 54.11 C ATOM 0 H ILE A 126 -5.314 4.417 -5.737 1.00 1.51 H new ATOM 0 HA ILE A 126 -4.465 1.734 -5.487 1.00 31.00 H new ATOM 0 HB ILE A 126 -7.012 2.903 -6.694 1.00 62.54 H new ATOM 0 HG12 ILE A 126 -6.605 1.866 -3.850 1.00 13.44 H new ATOM 0 HG13 ILE A 126 -6.404 3.556 -4.268 1.00 13.44 H new ATOM 0 HG21 ILE A 126 -8.056 0.711 -6.159 1.00 11.11 H new ATOM 0 HG22 ILE A 126 -6.737 0.548 -7.342 1.00 11.11 H new ATOM 0 HG23 ILE A 126 -6.470 0.090 -5.643 1.00 11.11 H new ATOM 0 HD11 ILE A 126 -8.617 3.145 -3.317 1.00 54.11 H new ATOM 0 HD12 ILE A 126 -8.755 3.665 -5.014 1.00 54.11 H new ATOM 0 HD13 ILE A 126 -8.959 1.948 -4.589 1.00 54.11 H new ATOM 2002 N SER A 127 -4.733 2.973 -8.570 1.00 12.21 N ATOM 2003 CA SER A 127 -4.337 2.794 -9.984 1.00 1.32 C ATOM 2004 C SER A 127 -2.839 2.477 -10.106 1.00 2.55 C ATOM 2005 O SER A 127 -2.449 1.629 -10.914 1.00 31.12 O ATOM 2006 CB SER A 127 -4.679 4.048 -10.813 1.00 72.42 C ATOM 2007 OG SER A 127 -6.069 4.260 -10.865 1.00 53.32 O ATOM 0 H SER A 127 -5.138 3.888 -8.371 1.00 12.21 H new ATOM 0 HA SER A 127 -4.901 1.948 -10.377 1.00 1.32 H new ATOM 0 HB2 SER A 127 -4.192 4.920 -10.377 1.00 72.42 H new ATOM 0 HB3 SER A 127 -4.287 3.937 -11.824 1.00 72.42 H new ATOM 0 HG SER A 127 -6.384 4.581 -9.994 1.00 53.32 H new ATOM 2013 N VAL A 128 -2.017 3.170 -9.283 1.00 42.34 N ATOM 2014 CA VAL A 128 -0.568 2.934 -9.189 1.00 62.41 C ATOM 2015 C VAL A 128 -0.286 1.490 -8.726 1.00 1.21 C ATOM 2016 O VAL A 128 0.511 0.789 -9.355 1.00 72.04 O ATOM 2017 CB VAL A 128 0.126 3.973 -8.217 1.00 4.52 C ATOM 2018 CG1 VAL A 128 1.608 3.623 -7.949 1.00 63.52 C ATOM 2019 CG2 VAL A 128 0.003 5.415 -8.771 1.00 72.22 C ATOM 0 H VAL A 128 -2.348 3.911 -8.665 1.00 42.34 H new ATOM 0 HA VAL A 128 -0.143 3.074 -10.183 1.00 62.41 H new ATOM 0 HB VAL A 128 -0.400 3.916 -7.264 1.00 4.52 H new ATOM 0 HG11 VAL A 128 2.041 4.364 -7.277 1.00 63.52 H new ATOM 0 HG12 VAL A 128 1.672 2.636 -7.490 1.00 63.52 H new ATOM 0 HG13 VAL A 128 2.157 3.622 -8.890 1.00 63.52 H new ATOM 0 HG21 VAL A 128 0.487 6.111 -8.086 1.00 72.22 H new ATOM 0 HG22 VAL A 128 0.485 5.472 -9.747 1.00 72.22 H new ATOM 0 HG23 VAL A 128 -1.050 5.678 -8.871 1.00 72.22 H new ATOM 2029 N LEU A 129 -0.949 1.066 -7.625 1.00 13.45 N ATOM 2030 CA LEU A 129 -0.845 -0.316 -7.097 1.00 0.12 C ATOM 2031 C LEU A 129 -1.184 -1.364 -8.183 1.00 33.10 C ATOM 2032 O LEU A 129 -0.418 -2.294 -8.396 1.00 55.35 O ATOM 2033 CB LEU A 129 -1.773 -0.509 -5.865 1.00 40.44 C ATOM 2034 CG LEU A 129 -1.512 0.432 -4.646 1.00 1.40 C ATOM 2035 CD1 LEU A 129 -2.517 0.149 -3.516 1.00 73.40 C ATOM 2036 CD2 LEU A 129 -0.051 0.330 -4.144 1.00 24.13 C ATOM 0 H LEU A 129 -1.567 1.667 -7.080 1.00 13.45 H new ATOM 0 HA LEU A 129 0.189 -0.468 -6.787 1.00 0.12 H new ATOM 0 HB2 LEU A 129 -2.804 -0.371 -6.189 1.00 40.44 H new ATOM 0 HB3 LEU A 129 -1.681 -1.541 -5.526 1.00 40.44 H new ATOM 0 HG LEU A 129 -1.661 1.459 -4.981 1.00 1.40 H new ATOM 0 HD11 LEU A 129 -2.318 0.815 -2.677 1.00 73.40 H new ATOM 0 HD12 LEU A 129 -3.531 0.317 -3.880 1.00 73.40 H new ATOM 0 HD13 LEU A 129 -2.416 -0.886 -3.190 1.00 73.40 H new ATOM 0 HD21 LEU A 129 0.090 1.000 -3.296 1.00 24.13 H new ATOM 0 HD22 LEU A 129 0.157 -0.695 -3.836 1.00 24.13 H new ATOM 0 HD23 LEU A 129 0.630 0.613 -4.947 1.00 24.13 H new ATOM 2048 N GLU A 130 -2.318 -1.155 -8.888 1.00 31.42 N ATOM 2049 CA GLU A 130 -2.814 -2.066 -9.949 1.00 42.33 C ATOM 2050 C GLU A 130 -1.834 -2.133 -11.135 1.00 21.42 C ATOM 2051 O GLU A 130 -1.690 -3.183 -11.771 1.00 73.35 O ATOM 2052 CB GLU A 130 -4.210 -1.611 -10.442 1.00 74.21 C ATOM 2053 CG GLU A 130 -5.296 -1.601 -9.348 1.00 2.02 C ATOM 2054 CD GLU A 130 -6.657 -1.121 -9.864 1.00 34.43 C ATOM 2055 OE1 GLU A 130 -6.830 0.100 -10.049 1.00 21.41 O ATOM 2056 OE2 GLU A 130 -7.546 -1.964 -10.115 1.00 12.21 O ATOM 0 H GLU A 130 -2.920 -0.345 -8.738 1.00 31.42 H new ATOM 0 HA GLU A 130 -2.894 -3.064 -9.518 1.00 42.33 H new ATOM 0 HB2 GLU A 130 -4.125 -0.609 -10.863 1.00 74.21 H new ATOM 0 HB3 GLU A 130 -4.530 -2.270 -11.249 1.00 74.21 H new ATOM 0 HG2 GLU A 130 -5.402 -2.606 -8.939 1.00 2.02 H new ATOM 0 HG3 GLU A 130 -4.975 -0.956 -8.530 1.00 2.02 H new ATOM 2063 N THR A 131 -1.183 -0.993 -11.416 1.00 60.44 N ATOM 2064 CA THR A 131 -0.147 -0.876 -12.453 1.00 11.21 C ATOM 2065 C THR A 131 1.089 -1.729 -12.085 1.00 23.23 C ATOM 2066 O THR A 131 1.552 -2.534 -12.901 1.00 32.45 O ATOM 2067 CB THR A 131 0.238 0.632 -12.660 1.00 52.22 C ATOM 2068 OG1 THR A 131 -0.890 1.338 -13.211 1.00 42.01 O ATOM 2069 CG2 THR A 131 1.465 0.829 -13.567 1.00 41.33 C ATOM 0 H THR A 131 -1.363 -0.118 -10.924 1.00 60.44 H new ATOM 0 HA THR A 131 -0.542 -1.258 -13.395 1.00 11.21 H new ATOM 0 HB THR A 131 0.507 1.030 -11.682 1.00 52.22 H new ATOM 0 HG1 THR A 131 -1.536 1.529 -12.499 1.00 42.01 H new ATOM 0 HG21 THR A 131 1.676 1.894 -13.668 1.00 41.33 H new ATOM 0 HG22 THR A 131 2.327 0.328 -13.127 1.00 41.33 H new ATOM 0 HG23 THR A 131 1.262 0.405 -14.550 1.00 41.33 H new ATOM 2077 N VAL A 132 1.568 -1.568 -10.829 1.00 21.03 N ATOM 2078 CA VAL A 132 2.745 -2.288 -10.301 1.00 74.41 C ATOM 2079 C VAL A 132 2.503 -3.811 -10.312 1.00 64.14 C ATOM 2080 O VAL A 132 3.296 -4.566 -10.879 1.00 30.12 O ATOM 2081 CB VAL A 132 3.105 -1.783 -8.846 1.00 33.12 C ATOM 2082 CG1 VAL A 132 4.228 -2.632 -8.204 1.00 23.33 C ATOM 2083 CG2 VAL A 132 3.498 -0.281 -8.875 1.00 53.21 C ATOM 0 H VAL A 132 1.145 -0.932 -10.153 1.00 21.03 H new ATOM 0 HA VAL A 132 3.594 -2.076 -10.951 1.00 74.41 H new ATOM 0 HB VAL A 132 2.216 -1.900 -8.226 1.00 33.12 H new ATOM 0 HG11 VAL A 132 4.445 -2.253 -7.206 1.00 23.33 H new ATOM 0 HG12 VAL A 132 3.905 -3.671 -8.135 1.00 23.33 H new ATOM 0 HG13 VAL A 132 5.126 -2.572 -8.819 1.00 23.33 H new ATOM 0 HG21 VAL A 132 3.743 0.051 -7.866 1.00 53.21 H new ATOM 0 HG22 VAL A 132 4.364 -0.144 -9.522 1.00 53.21 H new ATOM 0 HG23 VAL A 132 2.663 0.306 -9.257 1.00 53.21 H new ATOM 2093 N ILE A 133 1.359 -4.220 -9.738 1.00 44.42 N ATOM 2094 CA ILE A 133 0.955 -5.632 -9.605 1.00 65.33 C ATOM 2095 C ILE A 133 0.724 -6.259 -11.005 1.00 63.31 C ATOM 2096 O ILE A 133 1.126 -7.398 -11.257 1.00 60.43 O ATOM 2097 CB ILE A 133 -0.342 -5.751 -8.695 1.00 64.31 C ATOM 2098 CG1 ILE A 133 -0.046 -5.220 -7.243 1.00 52.53 C ATOM 2099 CG2 ILE A 133 -0.905 -7.202 -8.659 1.00 10.40 C ATOM 2100 CD1 ILE A 133 -1.253 -5.167 -6.319 1.00 3.40 C ATOM 0 H ILE A 133 0.678 -3.570 -9.347 1.00 44.42 H new ATOM 0 HA ILE A 133 1.757 -6.187 -9.118 1.00 65.33 H new ATOM 0 HB ILE A 133 -1.115 -5.126 -9.143 1.00 64.31 H new ATOM 0 HG12 ILE A 133 0.713 -5.856 -6.788 1.00 52.53 H new ATOM 0 HG13 ILE A 133 0.379 -4.219 -7.318 1.00 52.53 H new ATOM 0 HG21 ILE A 133 -1.791 -7.233 -8.025 1.00 10.40 H new ATOM 0 HG22 ILE A 133 -1.171 -7.514 -9.669 1.00 10.40 H new ATOM 0 HG23 ILE A 133 -0.148 -7.876 -8.258 1.00 10.40 H new ATOM 0 HD11 ILE A 133 -0.948 -4.789 -5.343 1.00 3.40 H new ATOM 0 HD12 ILE A 133 -2.008 -4.506 -6.745 1.00 3.40 H new ATOM 0 HD13 ILE A 133 -1.669 -6.168 -6.206 1.00 3.40 H new ATOM 2112 N GLY A 134 0.119 -5.469 -11.914 1.00 75.03 N ATOM 2113 CA GLY A 134 -0.158 -5.896 -13.294 1.00 3.13 C ATOM 2114 C GLY A 134 1.110 -6.152 -14.112 1.00 71.13 C ATOM 2115 O GLY A 134 1.162 -7.109 -14.895 1.00 13.33 O ATOM 0 H GLY A 134 -0.190 -4.519 -11.710 1.00 75.03 H new ATOM 0 HA2 GLY A 134 -0.758 -6.805 -13.272 1.00 3.13 H new ATOM 0 HA3 GLY A 134 -0.755 -5.132 -13.791 1.00 3.13 H new ATOM 2119 N THR A 135 2.142 -5.306 -13.898 1.00 11.45 N ATOM 2120 CA THR A 135 3.464 -5.433 -14.558 1.00 54.32 C ATOM 2121 C THR A 135 4.174 -6.739 -14.124 1.00 71.35 C ATOM 2122 O THR A 135 4.996 -7.294 -14.856 1.00 54.43 O ATOM 2123 CB THR A 135 4.370 -4.196 -14.220 1.00 62.23 C ATOM 2124 OG1 THR A 135 3.673 -2.985 -14.549 1.00 63.32 O ATOM 2125 CG2 THR A 135 5.719 -4.214 -14.968 1.00 54.50 C ATOM 0 H THR A 135 2.083 -4.512 -13.260 1.00 11.45 H new ATOM 0 HA THR A 135 3.299 -5.467 -15.635 1.00 54.32 H new ATOM 0 HB THR A 135 4.586 -4.247 -13.153 1.00 62.23 H new ATOM 0 HG1 THR A 135 3.001 -2.797 -13.861 1.00 63.32 H new ATOM 0 HG21 THR A 135 6.300 -3.334 -14.692 1.00 54.50 H new ATOM 0 HG22 THR A 135 6.273 -5.113 -14.698 1.00 54.50 H new ATOM 0 HG23 THR A 135 5.539 -4.208 -16.043 1.00 54.50 H new ATOM 2133 N ILE A 136 3.831 -7.210 -12.921 1.00 32.01 N ATOM 2134 CA ILE A 136 4.373 -8.450 -12.350 1.00 13.14 C ATOM 2135 C ILE A 136 3.555 -9.655 -12.852 1.00 74.03 C ATOM 2136 O ILE A 136 4.109 -10.714 -13.140 1.00 22.14 O ATOM 2137 CB ILE A 136 4.330 -8.371 -10.779 1.00 3.54 C ATOM 2138 CG1 ILE A 136 5.111 -7.117 -10.280 1.00 74.45 C ATOM 2139 CG2 ILE A 136 4.870 -9.661 -10.115 1.00 75.32 C ATOM 2140 CD1 ILE A 136 4.963 -6.838 -8.803 1.00 65.32 C ATOM 0 H ILE A 136 3.164 -6.739 -12.310 1.00 32.01 H new ATOM 0 HA ILE A 136 5.408 -8.575 -12.667 1.00 13.14 H new ATOM 0 HB ILE A 136 3.286 -8.277 -10.482 1.00 3.54 H new ATOM 0 HG12 ILE A 136 6.169 -7.248 -10.509 1.00 74.45 H new ATOM 0 HG13 ILE A 136 4.770 -6.245 -10.838 1.00 74.45 H new ATOM 0 HG21 ILE A 136 4.821 -9.560 -9.031 1.00 75.32 H new ATOM 0 HG22 ILE A 136 4.265 -10.512 -10.428 1.00 75.32 H new ATOM 0 HG23 ILE A 136 5.905 -9.820 -10.418 1.00 75.32 H new ATOM 0 HD11 ILE A 136 5.538 -5.950 -8.541 1.00 65.32 H new ATOM 0 HD12 ILE A 136 3.912 -6.672 -8.568 1.00 65.32 H new ATOM 0 HD13 ILE A 136 5.333 -7.690 -8.233 1.00 65.32 H new ATOM 2152 N GLU A 137 2.235 -9.451 -13.006 1.00 0.02 N ATOM 2153 CA GLU A 137 1.263 -10.531 -13.233 1.00 13.05 C ATOM 2154 C GLU A 137 0.625 -10.403 -14.618 1.00 50.24 C ATOM 2155 O GLU A 137 -0.387 -9.702 -14.765 1.00 60.23 O ATOM 2156 CB GLU A 137 0.176 -10.492 -12.119 1.00 73.14 C ATOM 2157 CG GLU A 137 0.718 -10.730 -10.701 1.00 71.21 C ATOM 2158 CD GLU A 137 1.392 -12.104 -10.548 1.00 32.30 C ATOM 2159 OE1 GLU A 137 0.668 -13.108 -10.417 1.00 45.40 O ATOM 2160 OE2 GLU A 137 2.641 -12.187 -10.573 1.00 3.43 O ATOM 0 H GLU A 137 1.811 -8.524 -12.976 1.00 0.02 H new ATOM 0 HA GLU A 137 1.780 -11.490 -13.193 1.00 13.05 H new ATOM 0 HB2 GLU A 137 -0.323 -9.523 -12.147 1.00 73.14 H new ATOM 0 HB3 GLU A 137 -0.580 -11.246 -12.338 1.00 73.14 H new ATOM 0 HG2 GLU A 137 1.436 -9.948 -10.455 1.00 71.21 H new ATOM 0 HG3 GLU A 137 -0.100 -10.649 -9.985 1.00 71.21 H new ATOM 2167 N GLU A 138 1.258 -11.073 -15.619 1.00 73.01 N ATOM 2168 CA GLU A 138 0.825 -11.086 -17.031 1.00 33.35 C ATOM 2169 C GLU A 138 0.642 -9.646 -17.565 1.00 54.31 C ATOM 2170 O GLU A 138 -0.434 -9.047 -17.403 1.00 22.12 O ATOM 2171 CB GLU A 138 -0.473 -11.934 -17.201 1.00 54.25 C ATOM 2172 CG GLU A 138 -0.403 -13.372 -16.629 1.00 24.41 C ATOM 2173 CD GLU A 138 0.632 -14.271 -17.329 1.00 3.23 C ATOM 2174 OE1 GLU A 138 0.319 -14.839 -18.390 1.00 35.44 O ATOM 2175 OE2 GLU A 138 1.759 -14.423 -16.818 1.00 75.44 O ATOM 0 H GLU A 138 2.099 -11.628 -15.457 1.00 73.01 H new ATOM 0 HA GLU A 138 1.606 -11.557 -17.627 1.00 33.35 H new ATOM 0 HB2 GLU A 138 -1.297 -11.408 -16.718 1.00 54.25 H new ATOM 0 HB3 GLU A 138 -0.712 -11.994 -18.263 1.00 54.25 H new ATOM 0 HG2 GLU A 138 -0.165 -13.319 -15.567 1.00 24.41 H new ATOM 0 HG3 GLU A 138 -1.387 -13.834 -16.712 1.00 24.41 H new ATOM 2182 N ILE A 139 1.722 -9.107 -18.165 1.00 52.32 N ATOM 2183 CA ILE A 139 1.814 -7.690 -18.589 1.00 54.22 C ATOM 2184 C ILE A 139 0.669 -7.353 -19.587 1.00 72.25 C ATOM 2185 O ILE A 139 0.716 -7.714 -20.774 1.00 62.42 O ATOM 2186 CB ILE A 139 3.238 -7.318 -19.209 1.00 23.41 C ATOM 2187 CG1 ILE A 139 4.403 -7.440 -18.152 1.00 73.40 C ATOM 2188 CG2 ILE A 139 3.235 -5.890 -19.830 1.00 53.53 C ATOM 2189 CD1 ILE A 139 4.792 -8.853 -17.727 1.00 1.03 C ATOM 0 H ILE A 139 2.564 -9.645 -18.372 1.00 52.32 H new ATOM 0 HA ILE A 139 1.701 -7.080 -17.693 1.00 54.22 H new ATOM 0 HB ILE A 139 3.424 -8.045 -19.999 1.00 23.41 H new ATOM 0 HG12 ILE A 139 5.287 -6.951 -18.561 1.00 73.40 H new ATOM 0 HG13 ILE A 139 4.115 -6.883 -17.261 1.00 73.40 H new ATOM 0 HG21 ILE A 139 4.220 -5.670 -20.242 1.00 53.53 H new ATOM 0 HG22 ILE A 139 2.490 -5.840 -20.624 1.00 53.53 H new ATOM 0 HG23 ILE A 139 2.993 -5.158 -19.059 1.00 53.53 H new ATOM 0 HD11 ILE A 139 5.602 -8.804 -16.999 1.00 1.03 H new ATOM 0 HD12 ILE A 139 3.931 -9.348 -17.279 1.00 1.03 H new ATOM 0 HD13 ILE A 139 5.122 -9.418 -18.599 1.00 1.03 H new ATOM 2201 N LYS A 140 -0.371 -6.699 -19.045 1.00 14.44 N ATOM 2202 CA LYS A 140 -1.627 -6.394 -19.739 1.00 24.24 C ATOM 2203 C LYS A 140 -2.380 -5.389 -18.855 1.00 63.30 C ATOM 2204 O LYS A 140 -3.278 -5.757 -18.082 1.00 13.54 O ATOM 2205 CB LYS A 140 -2.446 -7.706 -19.973 1.00 63.22 C ATOM 2206 CG LYS A 140 -3.807 -7.551 -20.705 1.00 71.12 C ATOM 2207 CD LYS A 140 -4.579 -8.894 -20.777 1.00 34.05 C ATOM 2208 CE LYS A 140 -5.918 -8.810 -21.539 1.00 42.55 C ATOM 2209 NZ LYS A 140 -6.902 -7.921 -20.870 1.00 22.02 N ATOM 0 H LYS A 140 -0.358 -6.359 -18.083 1.00 14.44 H new ATOM 0 HA LYS A 140 -1.454 -5.964 -20.725 1.00 24.24 H new ATOM 0 HB2 LYS A 140 -1.827 -8.397 -20.545 1.00 63.22 H new ATOM 0 HB3 LYS A 140 -2.630 -8.171 -19.004 1.00 63.22 H new ATOM 0 HG2 LYS A 140 -4.416 -6.809 -20.188 1.00 71.12 H new ATOM 0 HG3 LYS A 140 -3.636 -7.175 -21.714 1.00 71.12 H new ATOM 0 HD2 LYS A 140 -3.946 -9.640 -21.258 1.00 34.05 H new ATOM 0 HD3 LYS A 140 -4.771 -9.245 -19.763 1.00 34.05 H new ATOM 0 HE2 LYS A 140 -5.734 -8.446 -22.550 1.00 42.55 H new ATOM 0 HE3 LYS A 140 -6.342 -9.810 -21.632 1.00 42.55 H new ATOM 0 HZ1 LYS A 140 -7.783 -7.900 -21.422 1.00 22.02 H new ATOM 0 HZ2 LYS A 140 -7.101 -8.280 -19.915 1.00 22.02 H new ATOM 0 HZ3 LYS A 140 -6.512 -6.959 -20.804 1.00 22.02 H new ATOM 2223 N SER A 141 -1.920 -4.131 -18.911 1.00 22.14 N ATOM 2224 CA SER A 141 -2.397 -3.038 -18.048 1.00 12.01 C ATOM 2225 C SER A 141 -1.840 -1.709 -18.625 1.00 24.01 C ATOM 2226 O SER A 141 -0.682 -1.353 -18.317 1.00 64.21 O ATOM 2227 CB SER A 141 -1.947 -3.282 -16.563 1.00 2.43 C ATOM 2228 OG SER A 141 -2.489 -2.321 -15.670 1.00 54.43 O ATOM 2229 OXT SER A 141 -2.542 -1.052 -19.433 1.00 37.45 O ATOM 0 H SER A 141 -1.195 -3.839 -19.567 1.00 22.14 H new ATOM 0 HA SER A 141 -3.486 -2.991 -18.034 1.00 12.01 H new ATOM 0 HB2 SER A 141 -2.257 -4.279 -16.251 1.00 2.43 H new ATOM 0 HB3 SER A 141 -0.859 -3.254 -16.506 1.00 2.43 H new ATOM 0 HG SER A 141 -2.184 -2.513 -14.759 1.00 54.43 H new TER 2235 SER A 141