USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1012 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 65 LYS NZ :NH3+ -145:sc= 0.0456 (180deg=-1.13) USER MOD Set 1.2: B 102 ASN : amide:sc= -0.776 K(o=-0.73,f=-2) USER MOD Set 2.1: A 59 MET CE :methyl 147:sc= -4.49! (180deg=-3.78!) USER MOD Set 2.2: A 88 MET CE :methyl 154:sc= -3.8! (180deg=-7.19!) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 32 THR OG1 : rot 174:sc= 0.105 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.94 X(o=-1.9,f=-2) USER MOD Single : A 4 SER OG : rot 44:sc= 0.0321 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.753 K(o=-0.75,f=-0.14) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.19 USER MOD Single : A 36 LYS NZ :NH3+ -108:sc= -0.0103 (180deg=-2.06!) USER MOD Single : A 38 HIS : no HD1:sc= -0.623 X(o=-0.62,f=-1.1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -59:sc= 0.0957 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 51 THR OG1 : rot 44:sc= 0.434 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 179:sc= 0.028 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 142:sc= -3.03 (180deg=-8.02!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= -0.438 (180deg=-0.594) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.41) USER MOD Single : A 78 ASN : amide:sc=-4.24e-05 X(o=-4.2e-05,f=-0.035) USER MOD Single : A 83 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.494) USER MOD Single : A 85 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.859 USER MOD Single : A 92 ASN : amide:sc= -0.375 X(o=-0.37,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -118:sc= -0.702 (180deg=-3.78!) USER MOD Single : A 99 ASN : amide:sc= 0.571 K(o=0.57,f=-0.023) USER MOD Single : A 101 LYS NZ :NH3+ -131:sc= 1.15 (180deg=0.561) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 134:sc= 0.641 USER MOD Single : A 105 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.1) USER MOD Single : A 106 GLN : amide:sc= -1.04 X(o=-1,f=-0.6) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -64:sc= -2.92 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.007 12.876 7.369 1.00 0.00 N ATOM 2 CA PRO A 1 -12.534 11.685 6.612 1.00 0.00 C ATOM 3 C PRO A 1 -11.155 11.917 5.994 1.00 0.00 C ATOM 4 O PRO A 1 -10.964 11.746 4.790 1.00 0.00 O ATOM 5 CB PRO A 1 -13.567 11.391 5.526 1.00 0.00 C ATOM 6 CG PRO A 1 -14.692 12.323 5.825 1.00 0.00 C ATOM 7 CD PRO A 1 -14.091 13.485 6.580 1.00 0.00 C ATOM 0 H2 PRO A 1 -12.246 13.540 7.509 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.342 12.606 8.294 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.431 10.837 7.289 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.159 11.567 4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.893 10.351 5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.171 12.662 4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.459 11.828 6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.710 14.248 5.901 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.828 13.968 7.221 1.00 0.00 H new ATOM 17 N SER A 2 -10.197 12.306 6.829 1.00 0.00 N ATOM 18 CA SER A 2 -8.837 12.560 6.367 1.00 0.00 C ATOM 19 C SER A 2 -7.957 11.331 6.565 1.00 0.00 C ATOM 20 O SER A 2 -7.176 10.965 5.685 1.00 0.00 O ATOM 21 CB SER A 2 -8.239 13.756 7.111 1.00 0.00 C ATOM 22 OG SER A 2 -7.003 14.147 6.538 1.00 0.00 O ATOM 0 H SER A 2 -10.337 12.452 7.829 1.00 0.00 H new ATOM 0 HA SER A 2 -8.878 12.787 5.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.937 14.592 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.092 13.499 8.160 1.00 0.00 H new ATOM 0 HG SER A 2 -6.642 14.914 7.030 1.00 0.00 H new ATOM 28 N HIS A 3 -8.088 10.696 7.725 1.00 0.00 N ATOM 29 CA HIS A 3 -7.304 9.506 8.038 1.00 0.00 C ATOM 30 C HIS A 3 -8.163 8.251 7.955 1.00 0.00 C ATOM 31 O HIS A 3 -8.024 7.335 8.766 1.00 0.00 O ATOM 32 CB HIS A 3 -6.690 9.628 9.435 1.00 0.00 C ATOM 33 CG HIS A 3 -5.366 10.329 9.449 1.00 0.00 C ATOM 34 ND1 HIS A 3 -5.195 11.623 9.002 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.146 9.910 9.860 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.926 11.967 9.137 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.270 10.947 9.656 1.00 0.00 N ATOM 0 H HIS A 3 -8.729 10.985 8.464 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.504 9.424 7.302 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.383 10.166 10.082 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.568 8.631 9.858 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.907 8.941 10.272 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.499 12.922 8.868 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.273 10.931 9.871 1.00 0.00 H new ATOM 46 N SER A 4 -9.053 8.214 6.969 1.00 0.00 N ATOM 47 CA SER A 4 -9.937 7.070 6.776 1.00 0.00 C ATOM 48 C SER A 4 -10.874 7.292 5.593 1.00 0.00 C ATOM 49 O SER A 4 -11.529 8.331 5.493 1.00 0.00 O ATOM 50 CB SER A 4 -10.756 6.812 8.044 1.00 0.00 C ATOM 51 OG SER A 4 -11.441 7.982 8.456 1.00 0.00 O ATOM 0 H SER A 4 -9.181 8.964 6.290 1.00 0.00 H new ATOM 0 HA SER A 4 -9.316 6.199 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.474 6.012 7.861 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.097 6.472 8.843 1.00 0.00 H new ATOM 0 HG SER A 4 -11.844 8.417 7.676 1.00 0.00 H new ATOM 57 N GLY A 5 -10.941 6.307 4.702 1.00 0.00 N ATOM 58 CA GLY A 5 -11.806 6.407 3.544 1.00 0.00 C ATOM 59 C GLY A 5 -12.325 5.053 3.115 1.00 0.00 C ATOM 60 O GLY A 5 -11.733 4.029 3.443 1.00 0.00 O ATOM 0 H GLY A 5 -10.409 5.439 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.646 7.063 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.259 6.865 2.720 1.00 0.00 H new ATOM 64 N ALA A 6 -13.430 5.038 2.381 1.00 0.00 N ATOM 65 CA ALA A 6 -14.009 3.784 1.921 1.00 0.00 C ATOM 66 C ALA A 6 -13.143 3.160 0.834 1.00 0.00 C ATOM 67 O ALA A 6 -13.110 3.635 -0.300 1.00 0.00 O ATOM 68 CB ALA A 6 -15.427 4.007 1.421 1.00 0.00 C ATOM 0 H ALA A 6 -13.940 5.873 2.093 1.00 0.00 H new ATOM 0 HA ALA A 6 -14.048 3.091 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.846 3.060 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.040 4.405 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.414 4.716 0.593 1.00 0.00 H new ATOM 74 N ALA A 7 -12.431 2.098 1.199 1.00 0.00 N ATOM 75 CA ALA A 7 -11.547 1.411 0.263 1.00 0.00 C ATOM 76 C ALA A 7 -12.024 -0.012 -0.014 1.00 0.00 C ATOM 77 O ALA A 7 -12.633 -0.653 0.841 1.00 0.00 O ATOM 78 CB ALA A 7 -10.123 1.394 0.804 1.00 0.00 C ATOM 0 H ALA A 7 -12.449 1.695 2.136 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.566 1.958 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.472 0.879 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.773 2.417 0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.104 0.873 1.761 1.00 0.00 H new ATOM 84 N ILE A 8 -11.731 -0.500 -1.216 1.00 0.00 N ATOM 85 CA ILE A 8 -12.117 -1.850 -1.616 1.00 0.00 C ATOM 86 C ILE A 8 -10.914 -2.785 -1.562 1.00 0.00 C ATOM 87 O ILE A 8 -9.788 -2.373 -1.841 1.00 0.00 O ATOM 88 CB ILE A 8 -12.710 -1.877 -3.043 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.574 -0.635 -3.316 1.00 0.00 C ATOM 90 CG2 ILE A 8 -13.520 -3.146 -3.255 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.472 -0.223 -2.165 1.00 0.00 C ATOM 0 H ILE A 8 -11.226 0.021 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.882 -2.186 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.881 -1.866 -3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.918 0.200 -3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.194 -0.825 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.931 -3.151 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.876 -4.015 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.334 -3.183 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.043 0.661 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.157 -1.037 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.862 0.004 -1.291 1.00 0.00 H new ATOM 103 N PHE A 9 -11.146 -4.044 -1.198 1.00 0.00 N ATOM 104 CA PHE A 9 -10.060 -5.014 -1.110 1.00 0.00 C ATOM 105 C PHE A 9 -10.472 -6.357 -1.697 1.00 0.00 C ATOM 106 O PHE A 9 -11.233 -7.100 -1.087 1.00 0.00 O ATOM 107 CB PHE A 9 -9.626 -5.193 0.347 1.00 0.00 C ATOM 108 CG PHE A 9 -8.458 -6.120 0.514 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.285 -5.916 -0.196 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.531 -7.198 1.382 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.208 -6.767 -0.043 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.457 -8.054 1.540 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.294 -7.839 0.826 1.00 0.00 C ATOM 0 H PHE A 9 -12.067 -4.413 -0.962 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.221 -4.631 -1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.369 -4.219 0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.468 -5.575 0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.212 -5.081 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.438 -7.371 1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.300 -6.595 -0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.527 -8.890 2.221 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.454 -8.507 0.946 1.00 0.00 H new ATOM 123 N GLU A 10 -9.956 -6.665 -2.881 1.00 0.00 N ATOM 124 CA GLU A 10 -10.265 -7.925 -3.552 1.00 0.00 C ATOM 125 C GLU A 10 -11.700 -7.937 -4.078 1.00 0.00 C ATOM 126 O GLU A 10 -12.376 -8.965 -4.040 1.00 0.00 O ATOM 127 CB GLU A 10 -10.031 -9.113 -2.611 1.00 0.00 C ATOM 128 CG GLU A 10 -8.814 -9.943 -2.981 1.00 0.00 C ATOM 129 CD GLU A 10 -9.155 -11.100 -3.900 1.00 0.00 C ATOM 130 OE1 GLU A 10 -9.508 -12.183 -3.385 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.069 -10.925 -5.133 1.00 0.00 O ATOM 0 H GLU A 10 -9.320 -6.059 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.593 -8.019 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.914 -8.743 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.914 -9.752 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.077 -9.304 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.352 -10.329 -2.072 1.00 0.00 H new ATOM 138 N LYS A 11 -12.149 -6.787 -4.585 1.00 0.00 N ATOM 139 CA LYS A 11 -13.496 -6.646 -5.148 1.00 0.00 C ATOM 140 C LYS A 11 -14.553 -6.373 -4.078 1.00 0.00 C ATOM 141 O LYS A 11 -15.686 -6.019 -4.404 1.00 0.00 O ATOM 142 CB LYS A 11 -13.886 -7.888 -5.956 1.00 0.00 C ATOM 143 CG LYS A 11 -12.760 -8.428 -6.825 1.00 0.00 C ATOM 144 CD LYS A 11 -13.244 -8.762 -8.226 1.00 0.00 C ATOM 145 CE LYS A 11 -13.158 -7.555 -9.147 1.00 0.00 C ATOM 146 NZ LYS A 11 -13.017 -7.955 -10.574 1.00 0.00 N ATOM 0 H LYS A 11 -11.594 -5.932 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.463 -5.780 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.211 -8.670 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.739 -7.646 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.959 -7.691 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.339 -9.321 -6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.645 -9.576 -8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.274 -9.115 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.052 -6.943 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.308 -6.937 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.962 -7.104 -11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.150 -8.518 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.840 -8.523 -10.858 1.00 0.00 H new ATOM 160 N VAL A 12 -14.196 -6.530 -2.805 1.00 0.00 N ATOM 161 CA VAL A 12 -15.140 -6.286 -1.729 1.00 0.00 C ATOM 162 C VAL A 12 -14.936 -4.903 -1.138 1.00 0.00 C ATOM 163 O VAL A 12 -13.838 -4.551 -0.708 1.00 0.00 O ATOM 164 CB VAL A 12 -15.029 -7.352 -0.623 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.640 -7.385 -0.013 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.090 -7.133 0.447 1.00 0.00 C ATOM 0 H VAL A 12 -13.268 -6.822 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.141 -6.346 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.204 -8.324 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.602 -8.149 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.908 -7.616 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.411 -6.413 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.993 -7.897 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.958 -6.148 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.080 -7.197 -0.004 1.00 0.00 H new ATOM 176 N SER A 13 -15.997 -4.111 -1.135 1.00 0.00 N ATOM 177 CA SER A 13 -15.922 -2.762 -0.610 1.00 0.00 C ATOM 178 C SER A 13 -15.895 -2.771 0.911 1.00 0.00 C ATOM 179 O SER A 13 -16.383 -3.705 1.549 1.00 0.00 O ATOM 180 CB SER A 13 -17.100 -1.925 -1.104 1.00 0.00 C ATOM 181 OG SER A 13 -18.335 -2.551 -0.799 1.00 0.00 O ATOM 0 H SER A 13 -16.915 -4.380 -1.489 1.00 0.00 H new ATOM 0 HA SER A 13 -14.996 -2.315 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.066 -0.937 -0.644 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.019 -1.778 -2.181 1.00 0.00 H new ATOM 0 HG SER A 13 -19.073 -1.994 -1.124 1.00 0.00 H new ATOM 187 N GLY A 14 -15.324 -1.722 1.486 1.00 0.00 N ATOM 188 CA GLY A 14 -15.244 -1.619 2.927 1.00 0.00 C ATOM 189 C GLY A 14 -14.876 -0.224 3.379 1.00 0.00 C ATOM 190 O GLY A 14 -15.252 0.761 2.744 1.00 0.00 O ATOM 0 H GLY A 14 -14.914 -0.939 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.202 -1.900 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.504 -2.327 3.300 1.00 0.00 H new ATOM 194 N ILE A 15 -14.136 -0.139 4.474 1.00 0.00 N ATOM 195 CA ILE A 15 -13.714 1.148 5.006 1.00 0.00 C ATOM 196 C ILE A 15 -12.262 1.103 5.441 1.00 0.00 C ATOM 197 O ILE A 15 -11.889 0.326 6.315 1.00 0.00 O ATOM 198 CB ILE A 15 -14.569 1.573 6.216 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.045 1.239 5.977 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.378 3.057 6.502 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.723 2.119 4.950 1.00 0.00 C ATOM 0 H ILE A 15 -13.816 -0.945 5.011 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.842 1.874 4.203 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.240 1.014 7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.123 0.200 5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.582 1.323 6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.988 3.344 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.328 3.253 6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.681 3.637 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.764 1.816 4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.680 3.158 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.214 2.018 3.991 1.00 0.00 H new ATOM 213 N ILE A 16 -11.450 1.955 4.844 1.00 0.00 N ATOM 214 CA ILE A 16 -10.044 2.023 5.188 1.00 0.00 C ATOM 215 C ILE A 16 -9.828 3.130 6.209 1.00 0.00 C ATOM 216 O ILE A 16 -10.203 4.277 5.980 1.00 0.00 O ATOM 217 CB ILE A 16 -9.173 2.248 3.924 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.474 0.946 3.531 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.146 3.354 4.119 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.567 1.080 2.327 1.00 0.00 C ATOM 0 H ILE A 16 -11.741 2.610 4.118 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.737 1.073 5.626 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.840 2.563 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.888 0.589 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.229 0.188 3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.562 3.473 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.657 4.289 4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.482 3.093 4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.107 0.116 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.151 1.406 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.789 1.814 2.537 1.00 0.00 H new ATOM 232 N ALA A 17 -9.250 2.778 7.345 1.00 0.00 N ATOM 233 CA ALA A 17 -9.022 3.752 8.401 1.00 0.00 C ATOM 234 C ALA A 17 -7.676 3.535 9.086 1.00 0.00 C ATOM 235 O ALA A 17 -7.335 2.417 9.473 1.00 0.00 O ATOM 236 CB ALA A 17 -10.161 3.684 9.408 1.00 0.00 C ATOM 0 H ALA A 17 -8.932 1.833 7.560 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.995 4.746 7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.991 4.414 10.200 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.103 3.905 8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.206 2.684 9.840 1.00 0.00 H new ATOM 242 N ILE A 18 -6.914 4.617 9.229 1.00 0.00 N ATOM 243 CA ILE A 18 -5.603 4.554 9.865 1.00 0.00 C ATOM 244 C ILE A 18 -5.707 4.790 11.367 1.00 0.00 C ATOM 245 O ILE A 18 -6.112 5.865 11.811 1.00 0.00 O ATOM 246 CB ILE A 18 -4.633 5.593 9.264 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.604 5.478 7.738 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.234 5.413 9.841 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.737 6.209 7.053 1.00 0.00 C ATOM 0 H ILE A 18 -7.184 5.548 8.912 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.214 3.553 9.681 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.988 6.589 9.527 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.656 5.870 7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.642 4.425 7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.563 6.154 9.406 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.267 5.544 10.923 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.870 4.412 9.607 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.651 6.083 5.974 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.690 5.802 7.391 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.688 7.270 7.300 1.00 0.00 H new ATOM 261 N ASN A 19 -5.332 3.781 12.144 1.00 0.00 N ATOM 262 CA ASN A 19 -5.374 3.879 13.597 1.00 0.00 C ATOM 263 C ASN A 19 -4.124 4.573 14.125 1.00 0.00 C ATOM 264 O ASN A 19 -3.063 3.959 14.238 1.00 0.00 O ATOM 265 CB ASN A 19 -5.503 2.488 14.221 1.00 0.00 C ATOM 266 CG ASN A 19 -6.380 2.487 15.458 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.593 2.292 15.373 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.770 2.706 16.617 1.00 0.00 N ATOM 0 H ASN A 19 -4.995 2.885 11.791 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.245 4.473 13.874 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.918 1.800 13.485 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.512 2.117 14.482 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.309 2.717 17.483 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.762 2.863 16.641 1.00 0.00 H new ATOM 275 N GLU A 20 -4.255 5.856 14.446 1.00 0.00 N ATOM 276 CA GLU A 20 -3.133 6.632 14.962 1.00 0.00 C ATOM 277 C GLU A 20 -3.092 6.597 16.487 1.00 0.00 C ATOM 278 O GLU A 20 -2.466 7.446 17.119 1.00 0.00 O ATOM 279 CB GLU A 20 -3.222 8.080 14.476 1.00 0.00 C ATOM 280 CG GLU A 20 -3.432 8.207 12.976 1.00 0.00 C ATOM 281 CD GLU A 20 -2.132 8.148 12.198 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.626 7.029 11.973 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.620 9.220 11.814 1.00 0.00 O ATOM 0 H GLU A 20 -5.126 6.380 14.358 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.214 6.183 14.586 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.042 8.578 14.993 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.307 8.604 14.752 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.091 7.408 12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.937 9.149 12.762 1.00 0.00 H new ATOM 290 N ASP A 21 -3.749 5.599 17.072 1.00 0.00 N ATOM 291 CA ASP A 21 -3.770 5.444 18.520 1.00 0.00 C ATOM 292 C ASP A 21 -2.668 4.488 18.963 1.00 0.00 C ATOM 293 O ASP A 21 -2.320 4.424 20.142 1.00 0.00 O ATOM 294 CB ASP A 21 -5.133 4.923 18.980 1.00 0.00 C ATOM 295 CG ASP A 21 -6.283 5.714 18.389 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.071 6.891 18.028 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.397 5.157 18.288 1.00 0.00 O ATOM 0 H ASP A 21 -4.273 4.887 16.564 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.596 6.419 18.976 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.233 3.875 18.697 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.187 4.966 20.068 1.00 0.00 H new ATOM 302 N VAL A 22 -2.119 3.750 18.001 1.00 0.00 N ATOM 303 CA VAL A 22 -1.052 2.798 18.274 1.00 0.00 C ATOM 304 C VAL A 22 0.311 3.480 18.184 1.00 0.00 C ATOM 305 O VAL A 22 0.395 4.708 18.160 1.00 0.00 O ATOM 306 CB VAL A 22 -1.104 1.615 17.288 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.386 0.819 17.478 1.00 0.00 C ATOM 308 CG2 VAL A 22 -0.983 2.113 15.854 1.00 0.00 C ATOM 0 H VAL A 22 -2.399 3.796 17.021 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.196 2.418 19.285 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.261 0.955 17.492 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.406 -0.012 16.773 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.427 0.433 18.496 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.245 1.466 17.300 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.021 1.265 15.170 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.805 2.794 15.635 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.035 2.637 15.730 1.00 0.00 H new ATOM 318 N SER A 23 1.376 2.687 18.135 1.00 0.00 N ATOM 319 CA SER A 23 2.725 3.234 18.052 1.00 0.00 C ATOM 320 C SER A 23 3.200 3.316 16.601 1.00 0.00 C ATOM 321 O SER A 23 3.630 4.376 16.144 1.00 0.00 O ATOM 322 CB SER A 23 3.698 2.390 18.878 1.00 0.00 C ATOM 323 OG SER A 23 4.558 3.210 19.649 1.00 0.00 O ATOM 0 H SER A 23 1.332 1.668 18.151 1.00 0.00 H new ATOM 0 HA SER A 23 2.700 4.245 18.460 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.139 1.725 19.536 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.290 1.759 18.215 1.00 0.00 H new ATOM 0 HG SER A 23 5.168 2.646 20.169 1.00 0.00 H new ATOM 329 N PRO A 24 3.144 2.197 15.855 1.00 0.00 N ATOM 330 CA PRO A 24 3.581 2.148 14.463 1.00 0.00 C ATOM 331 C PRO A 24 2.492 2.541 13.476 1.00 0.00 C ATOM 332 O PRO A 24 2.644 2.366 12.270 1.00 0.00 O ATOM 333 CB PRO A 24 3.958 0.678 14.258 1.00 0.00 C ATOM 334 CG PRO A 24 3.546 -0.050 15.507 1.00 0.00 C ATOM 335 CD PRO A 24 2.670 0.886 16.295 1.00 0.00 C ATOM 0 HA PRO A 24 4.393 2.853 14.283 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.452 0.266 13.385 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.029 0.573 14.084 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.008 -0.965 15.260 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.420 -0.342 16.089 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.613 0.739 16.072 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.791 0.749 17.370 1.00 0.00 H new ATOM 343 N ALA A 25 1.405 3.063 14.003 1.00 0.00 N ATOM 344 CA ALA A 25 0.262 3.488 13.192 1.00 0.00 C ATOM 345 C ALA A 25 -0.130 2.418 12.174 1.00 0.00 C ATOM 346 O ALA A 25 0.602 2.148 11.223 1.00 0.00 O ATOM 347 CB ALA A 25 0.567 4.805 12.492 1.00 0.00 C ATOM 0 H ALA A 25 1.279 3.209 15.005 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.585 3.635 13.862 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.293 5.107 11.894 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.778 5.573 13.237 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.434 4.680 11.844 1.00 0.00 H new ATOM 353 N GLU A 26 -1.293 1.809 12.380 1.00 0.00 N ATOM 354 CA GLU A 26 -1.775 0.765 11.483 1.00 0.00 C ATOM 355 C GLU A 26 -2.984 1.241 10.679 1.00 0.00 C ATOM 356 O GLU A 26 -3.650 2.208 11.046 1.00 0.00 O ATOM 357 CB GLU A 26 -2.153 -0.483 12.285 1.00 0.00 C ATOM 358 CG GLU A 26 -1.014 -1.033 13.128 1.00 0.00 C ATOM 359 CD GLU A 26 -1.129 -0.643 14.589 1.00 0.00 C ATOM 360 OE1 GLU A 26 -2.270 -0.512 15.080 1.00 0.00 O ATOM 361 OE2 GLU A 26 -0.079 -0.467 15.241 1.00 0.00 O ATOM 0 H GLU A 26 -1.918 2.020 13.158 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.971 0.524 10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.994 -0.245 12.936 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.492 -1.258 11.597 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.998 -2.120 13.046 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.066 -0.670 12.732 1.00 0.00 H new ATOM 368 N LEU A 27 -3.263 0.538 9.587 1.00 0.00 N ATOM 369 CA LEU A 27 -4.391 0.852 8.723 1.00 0.00 C ATOM 370 C LEU A 27 -5.372 -0.314 8.733 1.00 0.00 C ATOM 371 O LEU A 27 -5.068 -1.396 8.230 1.00 0.00 O ATOM 372 CB LEU A 27 -3.902 1.131 7.299 1.00 0.00 C ATOM 373 CG LEU A 27 -5.001 1.409 6.270 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.627 2.599 5.400 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.252 0.181 5.409 1.00 0.00 C ATOM 0 H LEU A 27 -2.714 -0.264 9.278 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.895 1.745 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.228 1.987 7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.318 0.276 6.959 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.920 1.647 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.419 2.782 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.497 3.481 6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.696 2.387 4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.036 0.399 4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.336 -0.088 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.564 -0.650 6.042 1.00 0.00 H new ATOM 387 N THR A 28 -6.534 -0.104 9.342 1.00 0.00 N ATOM 388 CA THR A 28 -7.533 -1.160 9.453 1.00 0.00 C ATOM 389 C THR A 28 -8.675 -0.999 8.454 1.00 0.00 C ATOM 390 O THR A 28 -9.431 -0.029 8.509 1.00 0.00 O ATOM 391 CB THR A 28 -8.104 -1.185 10.871 1.00 0.00 C ATOM 392 OG1 THR A 28 -7.061 -1.221 11.830 1.00 0.00 O ATOM 393 CG2 THR A 28 -9.009 -2.369 11.132 1.00 0.00 C ATOM 0 H THR A 28 -6.806 0.784 9.764 1.00 0.00 H new ATOM 0 HA THR A 28 -7.029 -2.099 9.226 1.00 0.00 H new ATOM 0 HB THR A 28 -8.693 -0.272 10.961 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.446 -1.235 12.731 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.379 -2.325 12.156 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.851 -2.343 10.440 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.450 -3.293 10.988 1.00 0.00 H new ATOM 401 N TRP A 29 -8.810 -1.978 7.563 1.00 0.00 N ATOM 402 CA TRP A 29 -9.874 -1.974 6.579 1.00 0.00 C ATOM 403 C TRP A 29 -11.102 -2.673 7.148 1.00 0.00 C ATOM 404 O TRP A 29 -11.104 -3.889 7.333 1.00 0.00 O ATOM 405 CB TRP A 29 -9.431 -2.687 5.302 1.00 0.00 C ATOM 406 CG TRP A 29 -10.532 -2.818 4.296 1.00 0.00 C ATOM 407 CD1 TRP A 29 -11.058 -1.817 3.543 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.251 -4.006 3.950 1.00 0.00 C ATOM 409 NE1 TRP A 29 -12.056 -2.307 2.732 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.194 -3.651 2.964 1.00 0.00 C ATOM 411 CE3 TRP A 29 -11.188 -5.338 4.371 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -13.064 -4.580 2.396 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -12.054 -6.256 3.808 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.980 -5.874 2.831 1.00 0.00 C ATOM 0 H TRP A 29 -8.189 -2.785 7.507 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.117 -0.939 6.337 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.601 -2.139 4.855 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.058 -3.679 5.556 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.739 -0.786 3.576 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.603 -1.760 2.067 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.475 -5.644 5.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.778 -4.289 1.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -12.015 -7.287 4.128 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.642 -6.617 2.412 1.00 0.00 H new ATOM 425 N ARG A 30 -12.143 -1.903 7.418 1.00 0.00 N ATOM 426 CA ARG A 30 -13.375 -2.458 7.960 1.00 0.00 C ATOM 427 C ARG A 30 -14.464 -2.469 6.896 1.00 0.00 C ATOM 428 O ARG A 30 -14.918 -1.416 6.455 1.00 0.00 O ATOM 429 CB ARG A 30 -13.837 -1.651 9.175 1.00 0.00 C ATOM 430 CG ARG A 30 -12.802 -1.579 10.286 1.00 0.00 C ATOM 431 CD ARG A 30 -13.440 -1.227 11.619 1.00 0.00 C ATOM 432 NE ARG A 30 -12.587 -0.354 12.421 1.00 0.00 N ATOM 433 CZ ARG A 30 -11.542 -0.783 13.128 1.00 0.00 C ATOM 434 NH1 ARG A 30 -11.221 -2.070 13.134 1.00 0.00 N ATOM 435 NH2 ARG A 30 -10.819 0.079 13.829 1.00 0.00 N ATOM 0 H ARG A 30 -12.161 -0.894 7.272 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.181 -3.483 8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.086 -0.639 8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.751 -2.095 9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.288 -2.537 10.369 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.048 -0.834 10.034 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.398 -0.737 11.444 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.647 -2.142 12.175 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.804 0.642 12.441 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.775 -2.736 12.596 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.420 -2.393 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.063 1.069 13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.019 -0.248 14.371 1.00 0.00 H new ATOM 449 N SER A 31 -14.875 -3.664 6.480 1.00 0.00 N ATOM 450 CA SER A 31 -15.905 -3.804 5.455 1.00 0.00 C ATOM 451 C SER A 31 -17.094 -2.890 5.739 1.00 0.00 C ATOM 452 O SER A 31 -17.268 -2.409 6.858 1.00 0.00 O ATOM 453 CB SER A 31 -16.374 -5.257 5.373 1.00 0.00 C ATOM 454 OG SER A 31 -17.599 -5.359 4.666 1.00 0.00 O ATOM 0 H SER A 31 -14.511 -4.548 6.836 1.00 0.00 H new ATOM 0 HA SER A 31 -15.470 -3.511 4.499 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.613 -5.860 4.878 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.496 -5.660 6.378 1.00 0.00 H new ATOM 0 HG SER A 31 -17.876 -6.298 4.626 1.00 0.00 H new ATOM 460 N THR A 32 -17.910 -2.658 4.717 1.00 0.00 N ATOM 461 CA THR A 32 -19.080 -1.809 4.851 1.00 0.00 C ATOM 462 C THR A 32 -20.141 -2.528 5.658 1.00 0.00 C ATOM 463 O THR A 32 -20.813 -1.939 6.505 1.00 0.00 O ATOM 464 CB THR A 32 -19.631 -1.444 3.475 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.824 -1.990 2.446 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.722 0.049 3.244 1.00 0.00 C ATOM 0 H THR A 32 -17.779 -3.049 3.784 1.00 0.00 H new ATOM 0 HA THR A 32 -18.794 -0.892 5.366 1.00 0.00 H new ATOM 0 HB THR A 32 -20.637 -1.863 3.449 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.248 -1.829 1.577 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.121 0.239 2.248 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.381 0.493 3.990 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.729 0.491 3.328 1.00 0.00 H new ATOM 474 N ASP A 33 -20.277 -3.811 5.379 1.00 0.00 N ATOM 475 CA ASP A 33 -21.248 -4.645 6.063 1.00 0.00 C ATOM 476 C ASP A 33 -20.731 -5.077 7.428 1.00 0.00 C ATOM 477 O ASP A 33 -21.488 -5.168 8.394 1.00 0.00 O ATOM 478 CB ASP A 33 -21.591 -5.873 5.217 1.00 0.00 C ATOM 479 CG ASP A 33 -22.104 -5.500 3.840 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.318 -5.238 3.710 1.00 0.00 O ATOM 481 OD2 ASP A 33 -21.292 -5.471 2.891 1.00 0.00 O ATOM 0 H ASP A 33 -19.722 -4.302 4.678 1.00 0.00 H new ATOM 0 HA ASP A 33 -22.153 -4.055 6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.705 -6.499 5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.344 -6.468 5.734 1.00 0.00 H new ATOM 486 N GLY A 34 -19.435 -5.342 7.497 1.00 0.00 N ATOM 487 CA GLY A 34 -18.827 -5.763 8.744 1.00 0.00 C ATOM 488 C GLY A 34 -18.539 -7.251 8.775 1.00 0.00 C ATOM 489 O GLY A 34 -18.469 -7.855 9.844 1.00 0.00 O ATOM 0 H GLY A 34 -18.791 -5.273 6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.898 -5.213 8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.488 -5.507 9.572 1.00 0.00 H new ATOM 493 N ASP A 35 -18.373 -7.842 7.596 1.00 0.00 N ATOM 494 CA ASP A 35 -18.092 -9.267 7.489 1.00 0.00 C ATOM 495 C ASP A 35 -16.625 -9.516 7.150 1.00 0.00 C ATOM 496 O ASP A 35 -16.120 -10.626 7.326 1.00 0.00 O ATOM 497 CB ASP A 35 -18.988 -9.906 6.428 1.00 0.00 C ATOM 498 CG ASP A 35 -19.443 -11.299 6.816 1.00 0.00 C ATOM 499 OD1 ASP A 35 -20.140 -11.430 7.845 1.00 0.00 O ATOM 500 OD2 ASP A 35 -19.103 -12.259 6.092 1.00 0.00 O ATOM 0 H ASP A 35 -18.428 -7.355 6.702 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.301 -9.723 8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.861 -9.274 6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.449 -9.954 5.482 1.00 0.00 H new ATOM 505 N LYS A 36 -15.943 -8.483 6.662 1.00 0.00 N ATOM 506 CA LYS A 36 -14.535 -8.606 6.301 1.00 0.00 C ATOM 507 C LYS A 36 -13.702 -7.511 6.954 1.00 0.00 C ATOM 508 O LYS A 36 -14.159 -6.379 7.115 1.00 0.00 O ATOM 509 CB LYS A 36 -14.370 -8.555 4.781 1.00 0.00 C ATOM 510 CG LYS A 36 -15.209 -9.587 4.045 1.00 0.00 C ATOM 511 CD LYS A 36 -15.266 -9.296 2.555 1.00 0.00 C ATOM 512 CE LYS A 36 -14.287 -10.163 1.780 1.00 0.00 C ATOM 513 NZ LYS A 36 -14.819 -10.541 0.441 1.00 0.00 N ATOM 0 H LYS A 36 -16.341 -7.556 6.508 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.178 -9.569 6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.640 -7.560 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.320 -8.708 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.791 -10.580 4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.219 -9.596 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.277 -9.470 2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.040 -8.244 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.345 -9.628 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.069 -11.065 2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.074 -11.549 0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.662 -9.970 0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.092 -10.368 -0.283 1.00 0.00 H new ATOM 527 N VAL A 37 -12.476 -7.860 7.335 1.00 0.00 N ATOM 528 CA VAL A 37 -11.578 -6.910 7.976 1.00 0.00 C ATOM 529 C VAL A 37 -10.129 -7.137 7.538 1.00 0.00 C ATOM 530 O VAL A 37 -9.767 -8.228 7.098 1.00 0.00 O ATOM 531 CB VAL A 37 -11.692 -7.001 9.518 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.509 -7.740 10.134 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.831 -5.612 10.119 1.00 0.00 C ATOM 0 H VAL A 37 -12.084 -8.793 7.210 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.876 -5.910 7.663 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.588 -7.578 9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.629 -7.781 11.217 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.465 -8.753 9.735 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.585 -7.215 9.891 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.910 -5.691 11.203 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.956 -5.015 9.862 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.727 -5.133 9.724 1.00 0.00 H new ATOM 543 N HIS A 38 -9.308 -6.098 7.665 1.00 0.00 N ATOM 544 CA HIS A 38 -7.900 -6.178 7.288 1.00 0.00 C ATOM 545 C HIS A 38 -7.082 -5.135 8.044 1.00 0.00 C ATOM 546 O HIS A 38 -7.577 -4.050 8.345 1.00 0.00 O ATOM 547 CB HIS A 38 -7.735 -5.980 5.781 1.00 0.00 C ATOM 548 CG HIS A 38 -6.597 -6.758 5.196 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.751 -7.999 4.615 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.278 -6.464 5.105 1.00 0.00 C ATOM 551 CE1 HIS A 38 -5.579 -8.435 4.192 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.668 -7.523 4.477 1.00 0.00 N ATOM 0 H HIS A 38 -9.595 -5.189 8.027 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.534 -7.170 7.553 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.659 -6.272 5.281 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.583 -4.920 5.577 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.796 -5.565 5.460 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.396 -9.377 3.697 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.673 -7.593 4.265 1.00 0.00 H new ATOM 561 N THR A 39 -5.834 -5.466 8.356 1.00 0.00 N ATOM 562 CA THR A 39 -4.966 -4.546 9.087 1.00 0.00 C ATOM 563 C THR A 39 -3.609 -4.392 8.404 1.00 0.00 C ATOM 564 O THR A 39 -3.015 -5.369 7.948 1.00 0.00 O ATOM 565 CB THR A 39 -4.771 -5.033 10.522 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.990 -5.517 11.058 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.254 -3.958 11.455 1.00 0.00 C ATOM 0 H THR A 39 -5.401 -6.358 8.117 1.00 0.00 H new ATOM 0 HA THR A 39 -5.452 -3.570 9.097 1.00 0.00 H new ATOM 0 HB THR A 39 -4.025 -5.825 10.458 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.844 -5.826 11.977 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.138 -4.371 12.457 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.289 -3.599 11.097 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.962 -3.130 11.483 1.00 0.00 H new ATOM 575 N VAL A 40 -3.122 -3.155 8.352 1.00 0.00 N ATOM 576 CA VAL A 40 -1.829 -2.857 7.742 1.00 0.00 C ATOM 577 C VAL A 40 -0.989 -2.007 8.669 1.00 0.00 C ATOM 578 O VAL A 40 -1.466 -1.031 9.235 1.00 0.00 O ATOM 579 CB VAL A 40 -1.987 -2.119 6.399 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.773 -1.248 6.082 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.223 -3.120 5.290 1.00 0.00 C ATOM 0 H VAL A 40 -3.606 -2.339 8.727 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.336 -3.812 7.561 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.848 -1.456 6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.925 -0.745 5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.644 -0.503 6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.118 -1.873 6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.334 -2.593 4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.375 -3.802 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.130 -3.687 5.499 1.00 0.00 H new ATOM 591 N VAL A 41 0.267 -2.371 8.814 1.00 0.00 N ATOM 592 CA VAL A 41 1.154 -1.608 9.671 1.00 0.00 C ATOM 593 C VAL A 41 2.047 -0.681 8.857 1.00 0.00 C ATOM 594 O VAL A 41 3.037 -1.112 8.263 1.00 0.00 O ATOM 595 CB VAL A 41 1.999 -2.515 10.585 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.978 -1.693 11.415 1.00 0.00 C ATOM 597 CG2 VAL A 41 1.082 -3.325 11.485 1.00 0.00 C ATOM 0 H VAL A 41 0.694 -3.177 8.358 1.00 0.00 H new ATOM 0 HA VAL A 41 0.521 -0.996 10.314 1.00 0.00 H new ATOM 0 HB VAL A 41 2.582 -3.195 9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.562 -2.357 12.052 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.647 -1.145 10.751 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.426 -0.988 12.036 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.681 -3.967 12.132 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.484 -2.650 12.097 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.423 -3.940 10.873 1.00 0.00 H new ATOM 607 N LEU A 42 1.681 0.595 8.834 1.00 0.00 N ATOM 608 CA LEU A 42 2.430 1.603 8.094 1.00 0.00 C ATOM 609 C LEU A 42 3.906 1.598 8.483 1.00 0.00 C ATOM 610 O LEU A 42 4.763 2.003 7.698 1.00 0.00 O ATOM 611 CB LEU A 42 1.824 2.986 8.339 1.00 0.00 C ATOM 612 CG LEU A 42 0.519 3.267 7.588 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.704 3.045 6.092 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.607 2.394 8.125 1.00 0.00 C ATOM 0 H LEU A 42 0.863 0.958 9.324 1.00 0.00 H new ATOM 0 HA LEU A 42 2.364 1.362 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.642 3.102 9.407 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.557 3.742 8.057 1.00 0.00 H new ATOM 0 HG LEU A 42 0.249 4.311 7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.234 3.249 5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.478 3.715 5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.000 2.012 5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.526 2.608 7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.346 1.344 7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.757 2.604 9.184 1.00 0.00 H new ATOM 626 N SER A 43 4.200 1.136 9.695 1.00 0.00 N ATOM 627 CA SER A 43 5.577 1.080 10.175 1.00 0.00 C ATOM 628 C SER A 43 6.422 0.166 9.295 1.00 0.00 C ATOM 629 O SER A 43 7.631 0.355 9.163 1.00 0.00 O ATOM 630 CB SER A 43 5.621 0.600 11.627 1.00 0.00 C ATOM 631 OG SER A 43 6.934 0.223 12.000 1.00 0.00 O ATOM 0 H SER A 43 3.506 0.796 10.361 1.00 0.00 H new ATOM 0 HA SER A 43 5.992 2.087 10.126 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.266 1.392 12.286 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.946 -0.247 11.754 1.00 0.00 H new ATOM 0 HG SER A 43 6.935 -0.078 12.933 1.00 0.00 H new ATOM 637 N THR A 44 5.773 -0.819 8.691 1.00 0.00 N ATOM 638 CA THR A 44 6.456 -1.764 7.813 1.00 0.00 C ATOM 639 C THR A 44 6.256 -1.375 6.358 1.00 0.00 C ATOM 640 O THR A 44 7.122 -1.600 5.513 1.00 0.00 O ATOM 641 CB THR A 44 5.943 -3.191 8.040 1.00 0.00 C ATOM 642 OG1 THR A 44 4.847 -3.475 7.188 1.00 0.00 O ATOM 643 CG2 THR A 44 5.490 -3.448 9.460 1.00 0.00 C ATOM 0 H THR A 44 4.772 -0.987 8.792 1.00 0.00 H new ATOM 0 HA THR A 44 7.519 -1.733 8.050 1.00 0.00 H new ATOM 0 HB THR A 44 6.794 -3.837 7.822 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.126 -2.833 7.357 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.140 -4.476 9.550 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.325 -3.288 10.143 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.679 -2.765 9.712 1.00 0.00 H new ATOM 651 N ILE A 45 5.099 -0.792 6.079 1.00 0.00 N ATOM 652 CA ILE A 45 4.759 -0.366 4.726 1.00 0.00 C ATOM 653 C ILE A 45 5.914 0.395 4.081 1.00 0.00 C ATOM 654 O ILE A 45 6.121 1.579 4.348 1.00 0.00 O ATOM 655 CB ILE A 45 3.488 0.512 4.713 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.280 -0.298 5.188 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.234 1.074 3.320 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.082 -1.591 4.426 1.00 0.00 C ATOM 0 H ILE A 45 4.376 -0.602 6.773 1.00 0.00 H new ATOM 0 HA ILE A 45 4.564 -1.269 4.147 1.00 0.00 H new ATOM 0 HB ILE A 45 3.641 1.348 5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.399 -0.525 6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.382 0.313 5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.334 1.689 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.085 1.682 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.101 0.253 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.208 -2.113 4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.932 -1.371 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.963 -2.221 4.544 1.00 0.00 H new ATOM 670 N ASP A 46 6.665 -0.301 3.233 1.00 0.00 N ATOM 671 CA ASP A 46 7.802 0.298 2.549 1.00 0.00 C ATOM 672 C ASP A 46 7.369 1.488 1.700 1.00 0.00 C ATOM 673 O ASP A 46 8.127 2.443 1.525 1.00 0.00 O ATOM 674 CB ASP A 46 8.497 -0.743 1.668 1.00 0.00 C ATOM 675 CG ASP A 46 10.002 -0.560 1.638 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.580 -0.214 2.689 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.603 -0.765 0.562 1.00 0.00 O ATOM 0 H ASP A 46 6.505 -1.282 3.004 1.00 0.00 H new ATOM 0 HA ASP A 46 8.500 0.654 3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.262 -1.742 2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.105 -0.677 0.653 1.00 0.00 H new ATOM 682 N LYS A 47 6.150 1.429 1.168 1.00 0.00 N ATOM 683 CA LYS A 47 5.632 2.506 0.335 1.00 0.00 C ATOM 684 C LYS A 47 4.239 2.172 -0.182 1.00 0.00 C ATOM 685 O LYS A 47 3.869 1.004 -0.290 1.00 0.00 O ATOM 686 CB LYS A 47 6.571 2.761 -0.844 1.00 0.00 C ATOM 687 CG LYS A 47 6.974 1.497 -1.587 1.00 0.00 C ATOM 688 CD LYS A 47 8.404 1.582 -2.096 1.00 0.00 C ATOM 689 CE LYS A 47 8.794 0.332 -2.867 1.00 0.00 C ATOM 690 NZ LYS A 47 9.706 0.643 -4.003 1.00 0.00 N ATOM 0 H LYS A 47 5.506 0.649 1.300 1.00 0.00 H new ATOM 0 HA LYS A 47 5.569 3.406 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.087 3.444 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.469 3.261 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.873 0.637 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.297 1.335 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.512 2.456 -2.739 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.084 1.719 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.281 -0.373 -2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.896 -0.156 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.949 -0.236 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.233 1.296 -4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.574 1.086 -3.640 1.00 0.00 H new ATOM 704 N LEU A 48 3.474 3.204 -0.509 1.00 0.00 N ATOM 705 CA LEU A 48 2.125 3.018 -1.027 1.00 0.00 C ATOM 706 C LEU A 48 2.070 3.372 -2.504 1.00 0.00 C ATOM 707 O LEU A 48 2.946 4.066 -3.021 1.00 0.00 O ATOM 708 CB LEU A 48 1.122 3.873 -0.248 1.00 0.00 C ATOM 709 CG LEU A 48 1.675 5.184 0.313 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.224 6.057 -0.804 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.599 5.925 1.090 1.00 0.00 C ATOM 0 H LEU A 48 3.764 4.178 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 48 1.857 1.969 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.281 4.103 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.730 3.280 0.579 1.00 0.00 H new ATOM 0 HG LEU A 48 2.492 4.948 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.612 6.985 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.026 5.528 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.428 6.285 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.009 6.856 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.239 6.148 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.254 5.304 1.916 1.00 0.00 H new ATOM 723 N GLN A 49 1.036 2.895 -3.182 1.00 0.00 N ATOM 724 CA GLN A 49 0.869 3.166 -4.604 1.00 0.00 C ATOM 725 C GLN A 49 -0.546 3.648 -4.901 1.00 0.00 C ATOM 726 O GLN A 49 -1.521 3.039 -4.463 1.00 0.00 O ATOM 727 CB GLN A 49 1.184 1.913 -5.426 1.00 0.00 C ATOM 728 CG GLN A 49 2.415 2.057 -6.304 1.00 0.00 C ATOM 729 CD GLN A 49 2.543 0.934 -7.316 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.432 1.154 -8.522 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.777 -0.278 -6.828 1.00 0.00 N ATOM 0 H GLN A 49 0.301 2.319 -2.772 1.00 0.00 H new ATOM 0 HA GLN A 49 1.567 3.955 -4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.327 1.071 -4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.326 1.675 -6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.373 3.011 -6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.305 2.078 -5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.862 -0.415 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.872 -1.073 -7.460 1.00 0.00 H new ATOM 740 N ALA A 50 -0.651 4.744 -5.644 1.00 0.00 N ATOM 741 CA ALA A 50 -1.950 5.304 -5.993 1.00 0.00 C ATOM 742 C ALA A 50 -2.059 5.550 -7.493 1.00 0.00 C ATOM 743 O ALA A 50 -1.160 6.126 -8.106 1.00 0.00 O ATOM 744 CB ALA A 50 -2.192 6.593 -5.226 1.00 0.00 C ATOM 0 H ALA A 50 0.146 5.261 -6.015 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.715 4.579 -5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.166 7.000 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.169 6.389 -4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.415 7.316 -5.475 1.00 0.00 H new ATOM 750 N THR A 51 -3.169 5.114 -8.078 1.00 0.00 N ATOM 751 CA THR A 51 -3.401 5.289 -9.507 1.00 0.00 C ATOM 752 C THR A 51 -4.072 6.627 -9.793 1.00 0.00 C ATOM 753 O THR A 51 -5.288 6.766 -9.661 1.00 0.00 O ATOM 754 CB THR A 51 -4.263 4.148 -10.049 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.462 4.031 -9.305 1.00 0.00 O ATOM 756 CG2 THR A 51 -3.568 2.804 -10.014 1.00 0.00 C ATOM 0 H THR A 51 -3.923 4.636 -7.584 1.00 0.00 H new ATOM 0 HA THR A 51 -2.433 5.275 -10.008 1.00 0.00 H new ATOM 0 HB THR A 51 -4.466 4.406 -11.088 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.841 4.922 -9.153 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.235 2.039 -10.412 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.662 2.847 -10.619 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.306 2.557 -8.985 1.00 0.00 H new ATOM 764 N PRO A 52 -3.279 7.627 -10.205 1.00 0.00 N ATOM 765 CA PRO A 52 -3.775 8.967 -10.535 1.00 0.00 C ATOM 766 C PRO A 52 -4.983 8.926 -11.461 1.00 0.00 C ATOM 767 O PRO A 52 -5.261 7.906 -12.092 1.00 0.00 O ATOM 768 CB PRO A 52 -2.582 9.624 -11.247 1.00 0.00 C ATOM 769 CG PRO A 52 -1.640 8.504 -11.525 1.00 0.00 C ATOM 770 CD PRO A 52 -1.831 7.545 -10.404 1.00 0.00 C ATOM 0 HA PRO A 52 -4.111 9.505 -9.648 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.894 10.117 -12.168 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.117 10.385 -10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.858 8.036 -12.485 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.610 8.858 -11.569 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.508 6.537 -10.665 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.276 7.837 -9.513 1.00 0.00 H new ATOM 778 N ALA A 53 -5.695 10.043 -11.544 1.00 0.00 N ATOM 779 CA ALA A 53 -6.872 10.139 -12.399 1.00 0.00 C ATOM 780 C ALA A 53 -6.525 9.856 -13.861 1.00 0.00 C ATOM 781 O ALA A 53 -7.413 9.608 -14.677 1.00 0.00 O ATOM 782 CB ALA A 53 -7.509 11.513 -12.265 1.00 0.00 C ATOM 0 H ALA A 53 -5.478 10.896 -11.029 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.585 9.382 -12.073 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.387 11.571 -12.909 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.807 11.677 -11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.791 12.278 -12.561 1.00 0.00 H new ATOM 788 N SER A 54 -5.235 9.894 -14.191 1.00 0.00 N ATOM 789 CA SER A 54 -4.790 9.641 -15.557 1.00 0.00 C ATOM 790 C SER A 54 -4.947 8.168 -15.924 1.00 0.00 C ATOM 791 O SER A 54 -5.009 7.816 -17.102 1.00 0.00 O ATOM 792 CB SER A 54 -3.332 10.068 -15.730 1.00 0.00 C ATOM 793 OG SER A 54 -3.243 11.413 -16.171 1.00 0.00 O ATOM 0 H SER A 54 -4.483 10.097 -13.532 1.00 0.00 H new ATOM 0 HA SER A 54 -5.417 10.230 -16.227 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.802 9.956 -14.784 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.841 9.413 -16.449 1.00 0.00 H new ATOM 0 HG SER A 54 -2.301 11.662 -16.272 1.00 0.00 H new ATOM 799 N SER A 55 -5.012 7.313 -14.910 1.00 0.00 N ATOM 800 CA SER A 55 -5.163 5.880 -15.127 1.00 0.00 C ATOM 801 C SER A 55 -6.635 5.480 -15.105 1.00 0.00 C ATOM 802 O SER A 55 -7.352 5.767 -14.147 1.00 0.00 O ATOM 803 CB SER A 55 -4.394 5.097 -14.062 1.00 0.00 C ATOM 804 OG SER A 55 -3.074 4.810 -14.492 1.00 0.00 O ATOM 0 H SER A 55 -4.962 7.588 -13.929 1.00 0.00 H new ATOM 0 HA SER A 55 -4.754 5.641 -16.109 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.361 5.672 -13.137 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.918 4.167 -13.841 1.00 0.00 H new ATOM 0 HG SER A 55 -2.596 4.331 -13.783 1.00 0.00 H new ATOM 810 N GLU A 56 -7.079 4.814 -16.167 1.00 0.00 N ATOM 811 CA GLU A 56 -8.467 4.376 -16.268 1.00 0.00 C ATOM 812 C GLU A 56 -8.835 3.453 -15.111 1.00 0.00 C ATOM 813 O GLU A 56 -10.003 3.348 -14.734 1.00 0.00 O ATOM 814 CB GLU A 56 -8.704 3.664 -17.601 1.00 0.00 C ATOM 815 CG GLU A 56 -8.469 4.549 -18.814 1.00 0.00 C ATOM 816 CD GLU A 56 -7.141 4.269 -19.491 1.00 0.00 C ATOM 817 OE1 GLU A 56 -6.092 4.459 -18.841 1.00 0.00 O ATOM 818 OE2 GLU A 56 -7.152 3.858 -20.671 1.00 0.00 O ATOM 0 H GLU A 56 -6.499 4.566 -16.968 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.104 5.259 -16.218 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.047 2.797 -17.662 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.728 3.291 -17.627 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.277 4.399 -19.530 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.504 5.595 -18.509 1.00 0.00 H new ATOM 825 N LYS A 57 -7.832 2.788 -14.553 1.00 0.00 N ATOM 826 CA LYS A 57 -8.045 1.874 -13.437 1.00 0.00 C ATOM 827 C LYS A 57 -7.684 2.539 -12.113 1.00 0.00 C ATOM 828 O LYS A 57 -6.526 2.876 -11.873 1.00 0.00 O ATOM 829 CB LYS A 57 -7.214 0.599 -13.622 1.00 0.00 C ATOM 830 CG LYS A 57 -7.104 0.139 -15.069 1.00 0.00 C ATOM 831 CD LYS A 57 -8.468 0.057 -15.736 1.00 0.00 C ATOM 832 CE LYS A 57 -9.386 -0.917 -15.014 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.548 -1.314 -15.856 1.00 0.00 N ATOM 0 H LYS A 57 -6.861 2.864 -14.855 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.102 1.610 -13.417 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.212 0.770 -13.228 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.657 -0.201 -13.029 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.468 0.829 -15.623 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.621 -0.838 -15.105 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.926 1.046 -15.752 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.348 -0.256 -16.773 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.822 -1.806 -14.732 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.745 -0.461 -14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.149 -1.978 -15.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.101 -0.469 -16.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.207 -1.772 -16.725 1.00 0.00 H new ATOM 847 N MET A 58 -8.685 2.726 -11.259 1.00 0.00 N ATOM 848 CA MET A 58 -8.471 3.352 -9.958 1.00 0.00 C ATOM 849 C MET A 58 -8.269 2.296 -8.876 1.00 0.00 C ATOM 850 O MET A 58 -9.217 1.633 -8.457 1.00 0.00 O ATOM 851 CB MET A 58 -9.658 4.247 -9.598 1.00 0.00 C ATOM 852 CG MET A 58 -10.155 5.096 -10.758 1.00 0.00 C ATOM 853 SD MET A 58 -10.699 6.734 -10.237 1.00 0.00 S ATOM 854 CE MET A 58 -9.233 7.325 -9.396 1.00 0.00 C ATOM 0 H MET A 58 -9.651 2.454 -11.443 1.00 0.00 H new ATOM 0 HA MET A 58 -7.570 3.963 -10.019 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.476 3.623 -9.238 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.372 4.903 -8.776 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.358 5.199 -11.495 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.981 4.583 -11.251 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.098 8.387 -9.603 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.345 7.176 -8.322 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.363 6.772 -9.750 1.00 0.00 H new ATOM 864 N MET A 59 -7.026 2.145 -8.428 1.00 0.00 N ATOM 865 CA MET A 59 -6.700 1.167 -7.394 1.00 0.00 C ATOM 866 C MET A 59 -5.467 1.597 -6.606 1.00 0.00 C ATOM 867 O MET A 59 -4.498 2.101 -7.176 1.00 0.00 O ATOM 868 CB MET A 59 -6.457 -0.212 -8.015 1.00 0.00 C ATOM 869 CG MET A 59 -7.365 -0.529 -9.193 1.00 0.00 C ATOM 870 SD MET A 59 -6.913 -2.065 -10.022 1.00 0.00 S ATOM 871 CE MET A 59 -5.291 -1.641 -10.654 1.00 0.00 C ATOM 0 H MET A 59 -6.229 2.686 -8.764 1.00 0.00 H new ATOM 0 HA MET A 59 -7.549 1.108 -6.713 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.419 -0.274 -8.343 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.595 -0.974 -7.248 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.396 -0.598 -8.845 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.325 0.292 -9.909 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.657 -2.528 -10.655 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.385 -1.261 -11.671 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.843 -0.875 -10.021 1.00 0.00 H new ATOM 881 N LEU A 60 -5.508 1.392 -5.294 1.00 0.00 N ATOM 882 CA LEU A 60 -4.392 1.753 -4.427 1.00 0.00 C ATOM 883 C LEU A 60 -3.626 0.507 -3.983 1.00 0.00 C ATOM 884 O LEU A 60 -4.226 -0.529 -3.699 1.00 0.00 O ATOM 885 CB LEU A 60 -4.904 2.520 -3.205 1.00 0.00 C ATOM 886 CG LEU A 60 -4.074 3.743 -2.807 1.00 0.00 C ATOM 887 CD1 LEU A 60 -4.453 4.943 -3.660 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.263 4.055 -1.331 1.00 0.00 C ATOM 0 H LEU A 60 -6.303 0.977 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.711 2.392 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.926 2.843 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.943 1.836 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.021 3.518 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.853 5.804 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.268 4.716 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.510 5.171 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.666 4.927 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.315 4.261 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.943 3.200 -0.735 1.00 0.00 H new ATOM 900 N ARG A 61 -2.300 0.610 -3.930 1.00 0.00 N ATOM 901 CA ARG A 61 -1.462 -0.515 -3.523 1.00 0.00 C ATOM 902 C ARG A 61 -0.633 -0.166 -2.290 1.00 0.00 C ATOM 903 O ARG A 61 -0.290 0.994 -2.067 1.00 0.00 O ATOM 904 CB ARG A 61 -0.539 -0.931 -4.671 1.00 0.00 C ATOM 905 CG ARG A 61 -1.158 -1.956 -5.607 1.00 0.00 C ATOM 906 CD ARG A 61 -0.134 -2.500 -6.589 1.00 0.00 C ATOM 907 NE ARG A 61 -0.336 -3.922 -6.860 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.201 -4.878 -5.943 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.136 -4.571 -4.697 1.00 0.00 N ATOM 910 NH2 ARG A 61 -0.404 -6.146 -6.275 1.00 0.00 N ATOM 0 H ARG A 61 -1.784 1.458 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.118 -1.348 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.265 -0.046 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.382 -1.340 -4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.577 -2.776 -5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.983 -1.500 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.195 -1.941 -7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.868 -2.346 -6.190 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.596 -4.198 -7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.293 -3.598 -4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.238 -5.308 -4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.663 -6.388 -7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.301 -6.880 -5.574 1.00 0.00 H new ATOM 924 N LEU A 62 -0.318 -1.181 -1.489 1.00 0.00 N ATOM 925 CA LEU A 62 0.466 -0.982 -0.275 1.00 0.00 C ATOM 926 C LEU A 62 1.657 -1.936 -0.219 1.00 0.00 C ATOM 927 O LEU A 62 1.489 -3.154 -0.195 1.00 0.00 O ATOM 928 CB LEU A 62 -0.423 -1.180 0.959 1.00 0.00 C ATOM 929 CG LEU A 62 -0.218 -0.186 2.116 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.554 1.049 1.674 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.557 0.223 2.700 1.00 0.00 C ATOM 0 H LEU A 62 -0.594 -2.148 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 62 0.852 0.037 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.465 -1.126 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.258 -2.188 1.341 1.00 0.00 H new ATOM 0 HG LEU A 62 0.373 -0.692 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.676 1.724 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.535 0.751 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.005 1.557 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.398 0.926 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.162 0.696 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.075 -0.659 3.076 1.00 0.00 H new ATOM 943 N ILE A 63 2.859 -1.370 -0.186 1.00 0.00 N ATOM 944 CA ILE A 63 4.078 -2.166 -0.118 1.00 0.00 C ATOM 945 C ILE A 63 4.429 -2.478 1.330 1.00 0.00 C ATOM 946 O ILE A 63 4.015 -1.764 2.240 1.00 0.00 O ATOM 947 CB ILE A 63 5.269 -1.440 -0.777 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.937 -1.090 -2.225 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.523 -2.301 -0.712 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.699 -2.304 -3.090 1.00 0.00 C ATOM 0 H ILE A 63 3.014 -0.362 -0.205 1.00 0.00 H new ATOM 0 HA ILE A 63 3.889 -3.091 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 63 5.459 -0.517 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.049 -0.458 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.754 -0.505 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.352 -1.772 -1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.768 -2.508 0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.347 -3.240 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.468 -1.987 -4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.594 -2.926 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.863 -2.877 -2.690 1.00 0.00 H new ATOM 962 N GLY A 64 5.191 -3.544 1.537 1.00 0.00 N ATOM 963 CA GLY A 64 5.583 -3.926 2.883 1.00 0.00 C ATOM 964 C GLY A 64 7.087 -4.024 3.042 1.00 0.00 C ATOM 965 O GLY A 64 7.826 -3.932 2.063 1.00 0.00 O ATOM 0 H GLY A 64 5.545 -4.152 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.192 -3.197 3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.131 -4.886 3.131 1.00 0.00 H new ATOM 969 N LYS A 65 7.543 -4.212 4.277 1.00 0.00 N ATOM 970 CA LYS A 65 8.971 -4.324 4.545 1.00 0.00 C ATOM 971 C LYS A 65 9.482 -5.711 4.169 1.00 0.00 C ATOM 972 O LYS A 65 8.832 -6.718 4.448 1.00 0.00 O ATOM 973 CB LYS A 65 9.262 -4.036 6.020 1.00 0.00 C ATOM 974 CG LYS A 65 10.377 -3.023 6.235 1.00 0.00 C ATOM 975 CD LYS A 65 10.117 -1.731 5.473 1.00 0.00 C ATOM 976 CE LYS A 65 9.896 -0.560 6.416 1.00 0.00 C ATOM 977 NZ LYS A 65 9.797 0.733 5.683 1.00 0.00 N ATOM 0 H LYS A 65 6.948 -4.289 5.102 1.00 0.00 H new ATOM 0 HA LYS A 65 9.492 -3.586 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.353 -3.669 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.529 -4.968 6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.471 -2.806 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.326 -3.452 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.962 -1.517 4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.243 -1.854 4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.983 -0.723 6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.717 -0.510 7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.226 1.489 6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.299 0.657 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.797 0.957 5.507 1.00 0.00 H new ATOM 991 N VAL A 66 10.645 -5.754 3.530 1.00 0.00 N ATOM 992 CA VAL A 66 11.244 -6.994 3.111 1.00 0.00 C ATOM 993 C VAL A 66 12.410 -7.348 4.026 1.00 0.00 C ATOM 994 O VAL A 66 12.252 -7.456 5.242 1.00 0.00 O ATOM 995 CB VAL A 66 11.665 -6.885 1.624 1.00 0.00 C ATOM 996 CG1 VAL A 66 12.712 -5.795 1.422 1.00 0.00 C ATOM 997 CG2 VAL A 66 12.145 -8.231 1.091 1.00 0.00 C ATOM 0 H VAL A 66 11.191 -4.926 3.293 1.00 0.00 H new ATOM 0 HA VAL A 66 10.522 -7.807 3.190 1.00 0.00 H new ATOM 0 HB VAL A 66 10.785 -6.598 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.986 -5.744 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.303 -4.835 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.596 -6.025 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.434 -8.126 0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.003 -8.568 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.341 -8.963 1.173 1.00 0.00 H new ATOM 1007 N ASP A 67 13.558 -7.526 3.439 1.00 0.00 N ATOM 1008 CA ASP A 67 14.770 -7.871 4.172 1.00 0.00 C ATOM 1009 C ASP A 67 15.968 -7.953 3.231 1.00 0.00 C ATOM 1010 O ASP A 67 15.981 -8.754 2.296 1.00 0.00 O ATOM 1011 CB ASP A 67 14.589 -9.202 4.905 1.00 0.00 C ATOM 1012 CG ASP A 67 14.212 -9.014 6.361 1.00 0.00 C ATOM 1013 OD1 ASP A 67 14.566 -7.962 6.935 1.00 0.00 O ATOM 1014 OD2 ASP A 67 13.563 -9.919 6.929 1.00 0.00 O ATOM 0 H ASP A 67 13.694 -7.438 2.432 1.00 0.00 H new ATOM 0 HA ASP A 67 14.958 -7.086 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.817 -9.787 4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.513 -9.776 4.843 1.00 0.00 H new ATOM 1019 N GLU A 68 16.973 -7.120 3.484 1.00 0.00 N ATOM 1020 CA GLU A 68 18.174 -7.099 2.658 1.00 0.00 C ATOM 1021 C GLU A 68 19.313 -7.855 3.336 1.00 0.00 C ATOM 1022 O GLU A 68 20.485 -7.526 3.154 1.00 0.00 O ATOM 1023 CB GLU A 68 18.600 -5.657 2.379 1.00 0.00 C ATOM 1024 CG GLU A 68 18.586 -4.768 3.611 1.00 0.00 C ATOM 1025 CD GLU A 68 19.685 -3.723 3.588 1.00 0.00 C ATOM 1026 OE1 GLU A 68 19.986 -3.201 2.494 1.00 0.00 O ATOM 1027 OE2 GLU A 68 20.243 -3.426 4.665 1.00 0.00 O ATOM 0 H GLU A 68 16.979 -6.451 4.254 1.00 0.00 H new ATOM 0 HA GLU A 68 17.945 -7.593 1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.604 -5.660 1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.937 -5.231 1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.619 -4.271 3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.696 -5.386 4.502 1.00 0.00 H new ATOM 1034 N SER A 69 18.959 -8.870 4.117 1.00 0.00 N ATOM 1035 CA SER A 69 19.951 -9.673 4.822 1.00 0.00 C ATOM 1036 C SER A 69 20.496 -10.786 3.932 1.00 0.00 C ATOM 1037 O SER A 69 21.569 -11.331 4.191 1.00 0.00 O ATOM 1038 CB SER A 69 19.341 -10.274 6.091 1.00 0.00 C ATOM 1039 OG SER A 69 18.524 -11.389 5.787 1.00 0.00 O ATOM 0 H SER A 69 17.993 -9.156 4.278 1.00 0.00 H new ATOM 0 HA SER A 69 20.778 -9.018 5.095 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.136 -10.577 6.772 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.751 -9.517 6.608 1.00 0.00 H new ATOM 0 HG SER A 69 18.148 -11.755 6.615 1.00 0.00 H new ATOM 1045 N LYS A 70 19.753 -11.120 2.882 1.00 0.00 N ATOM 1046 CA LYS A 70 20.165 -12.168 1.957 1.00 0.00 C ATOM 1047 C LYS A 70 20.662 -11.563 0.644 1.00 0.00 C ATOM 1048 O LYS A 70 21.725 -11.930 0.143 1.00 0.00 O ATOM 1049 CB LYS A 70 18.997 -13.140 1.716 1.00 0.00 C ATOM 1050 CG LYS A 70 18.712 -13.448 0.251 1.00 0.00 C ATOM 1051 CD LYS A 70 19.846 -14.234 -0.387 1.00 0.00 C ATOM 1052 CE LYS A 70 19.534 -15.722 -0.436 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.056 -16.233 0.877 1.00 0.00 N ATOM 0 H LYS A 70 18.862 -10.680 2.651 1.00 0.00 H new ATOM 0 HA LYS A 70 20.992 -12.726 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.208 -14.075 2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.097 -12.722 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.785 -14.016 0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.562 -12.516 -0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.023 -13.865 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.765 -14.072 0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.775 -15.909 -1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 70 20.427 -16.270 -0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.984 -17.270 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.728 -15.958 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.121 -15.828 1.088 1.00 0.00 H new ATOM 1067 N LYS A 71 19.887 -10.632 0.095 1.00 0.00 N ATOM 1068 CA LYS A 71 20.247 -9.976 -1.158 1.00 0.00 C ATOM 1069 C LYS A 71 20.358 -10.990 -2.292 1.00 0.00 C ATOM 1070 O LYS A 71 21.223 -11.865 -2.274 1.00 0.00 O ATOM 1071 CB LYS A 71 21.569 -9.222 -1.000 1.00 0.00 C ATOM 1072 CG LYS A 71 21.426 -7.888 -0.286 1.00 0.00 C ATOM 1073 CD LYS A 71 20.763 -6.848 -1.175 1.00 0.00 C ATOM 1074 CE LYS A 71 21.789 -5.934 -1.824 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.313 -4.525 -1.894 1.00 0.00 N ATOM 0 H LYS A 71 19.005 -10.315 0.498 1.00 0.00 H new ATOM 0 HA LYS A 71 19.459 -9.266 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 71 22.271 -9.847 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 71 22.001 -9.052 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 71 20.837 -8.021 0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 71 22.409 -7.532 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 71 20.179 -7.348 -1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.067 -6.253 -0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.720 -5.975 -1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 71 22.010 -6.293 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.042 -3.934 -2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.438 -4.482 -2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.126 -4.174 -0.933 1.00 0.00 H new ATOM 1089 N ARG A 72 19.476 -10.864 -3.279 1.00 0.00 N ATOM 1090 CA ARG A 72 19.476 -11.770 -4.423 1.00 0.00 C ATOM 1091 C ARG A 72 19.507 -10.992 -5.736 1.00 0.00 C ATOM 1092 O ARG A 72 19.394 -9.766 -5.745 1.00 0.00 O ATOM 1093 CB ARG A 72 18.245 -12.676 -4.384 1.00 0.00 C ATOM 1094 CG ARG A 72 16.932 -11.914 -4.320 1.00 0.00 C ATOM 1095 CD ARG A 72 16.363 -11.669 -5.708 1.00 0.00 C ATOM 1096 NE ARG A 72 14.961 -11.258 -5.661 1.00 0.00 N ATOM 1097 CZ ARG A 72 14.200 -11.093 -6.741 1.00 0.00 C ATOM 1098 NH1 ARG A 72 14.700 -11.303 -7.952 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.935 -10.719 -6.609 1.00 0.00 N ATOM 0 H ARG A 72 18.753 -10.145 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 72 20.374 -12.385 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 72 18.244 -13.312 -5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 72 18.316 -13.335 -3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.212 -12.476 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 72 17.088 -10.960 -3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.950 -10.899 -6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.455 -12.578 -6.303 1.00 0.00 H new ATOM 0 HE ARG A 72 14.541 -11.088 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.672 -11.592 -8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.112 -11.175 -8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.545 -10.558 -5.680 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.352 -10.592 -7.436 1.00 0.00 H new ATOM 1113 N LYS A 73 19.660 -11.714 -6.841 1.00 0.00 N ATOM 1114 CA LYS A 73 19.707 -11.093 -8.160 1.00 0.00 C ATOM 1115 C LYS A 73 18.362 -11.223 -8.868 1.00 0.00 C ATOM 1116 O LYS A 73 17.366 -11.624 -8.265 1.00 0.00 O ATOM 1117 CB LYS A 73 20.807 -11.731 -9.010 1.00 0.00 C ATOM 1118 CG LYS A 73 22.117 -11.927 -8.263 1.00 0.00 C ATOM 1119 CD LYS A 73 22.913 -10.635 -8.185 1.00 0.00 C ATOM 1120 CE LYS A 73 24.401 -10.886 -8.375 1.00 0.00 C ATOM 1121 NZ LYS A 73 24.995 -11.605 -7.215 1.00 0.00 N ATOM 0 H LYS A 73 19.754 -12.730 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 73 19.929 -10.034 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 73 20.458 -12.697 -9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 73 20.987 -11.106 -9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 73 21.912 -12.290 -7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 73 22.711 -12.692 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 73 22.559 -9.942 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 73 22.743 -10.159 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 73 24.558 -11.469 -9.283 1.00 0.00 H new ATOM 0 HE3 LYS A 73 24.915 -9.935 -8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 26.010 -11.757 -7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 24.868 -11.037 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 24.522 -12.524 -7.097 1.00 0.00 H new ATOM 1135 N ASP A 74 18.340 -10.883 -10.153 1.00 0.00 N ATOM 1136 CA ASP A 74 17.116 -10.961 -10.943 1.00 0.00 C ATOM 1137 C ASP A 74 17.368 -11.666 -12.274 1.00 0.00 C ATOM 1138 O ASP A 74 16.650 -11.442 -13.250 1.00 0.00 O ATOM 1139 CB ASP A 74 16.555 -9.561 -11.194 1.00 0.00 C ATOM 1140 CG ASP A 74 15.050 -9.566 -11.379 1.00 0.00 C ATOM 1141 OD1 ASP A 74 14.502 -10.622 -11.757 1.00 0.00 O ATOM 1142 OD2 ASP A 74 14.421 -8.512 -11.146 1.00 0.00 O ATOM 0 H ASP A 74 19.155 -10.551 -10.669 1.00 0.00 H new ATOM 0 HA ASP A 74 16.387 -11.542 -10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 74 16.813 -8.913 -10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 74 17.026 -9.137 -12.081 1.00 0.00 H new ATOM 1147 N ASN A 75 18.392 -12.519 -12.307 1.00 0.00 N ATOM 1148 CA ASN A 75 18.742 -13.261 -13.519 1.00 0.00 C ATOM 1149 C ASN A 75 19.451 -12.372 -14.542 1.00 0.00 C ATOM 1150 O ASN A 75 19.819 -12.834 -15.623 1.00 0.00 O ATOM 1151 CB ASN A 75 17.491 -13.876 -14.151 1.00 0.00 C ATOM 1152 CG ASN A 75 17.806 -15.102 -14.985 1.00 0.00 C ATOM 1153 OD1 ASN A 75 17.586 -16.233 -14.554 1.00 0.00 O ATOM 1154 ND2 ASN A 75 18.326 -14.882 -16.187 1.00 0.00 N ATOM 0 H ASN A 75 18.995 -12.714 -11.507 1.00 0.00 H new ATOM 0 HA ASN A 75 19.428 -14.055 -13.225 1.00 0.00 H new ATOM 0 HB2 ASN A 75 16.786 -14.146 -13.365 1.00 0.00 H new ATOM 0 HB3 ASN A 75 17.000 -13.131 -14.777 1.00 0.00 H new ATOM 0 HD21 ASN A 75 18.560 -15.668 -16.793 1.00 0.00 H new ATOM 0 HD22 ASN A 75 18.492 -13.927 -16.504 1.00 0.00 H new ATOM 1161 N GLU A 76 19.642 -11.100 -14.203 1.00 0.00 N ATOM 1162 CA GLU A 76 20.307 -10.162 -15.100 1.00 0.00 C ATOM 1163 C GLU A 76 21.726 -9.881 -14.628 1.00 0.00 C ATOM 1164 O GLU A 76 22.618 -9.599 -15.428 1.00 0.00 O ATOM 1165 CB GLU A 76 19.520 -8.851 -15.179 1.00 0.00 C ATOM 1166 CG GLU A 76 18.037 -9.005 -14.879 1.00 0.00 C ATOM 1167 CD GLU A 76 17.289 -7.688 -14.942 1.00 0.00 C ATOM 1168 OE1 GLU A 76 17.383 -7.002 -15.982 1.00 0.00 O ATOM 1169 OE2 GLU A 76 16.609 -7.343 -13.954 1.00 0.00 O ATOM 0 H GLU A 76 19.346 -10.696 -13.314 1.00 0.00 H new ATOM 0 HA GLU A 76 20.349 -10.613 -16.091 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.951 -8.137 -14.477 1.00 0.00 H new ATOM 0 HB3 GLU A 76 19.637 -8.428 -16.177 1.00 0.00 H new ATOM 0 HG2 GLU A 76 17.597 -9.703 -15.591 1.00 0.00 H new ATOM 0 HG3 GLU A 76 17.914 -9.441 -13.888 1.00 0.00 H new ATOM 1176 N GLY A 77 21.922 -9.963 -13.322 1.00 0.00 N ATOM 1177 CA GLY A 77 23.231 -9.717 -12.745 1.00 0.00 C ATOM 1178 C GLY A 77 23.244 -8.510 -11.828 1.00 0.00 C ATOM 1179 O GLY A 77 24.284 -7.879 -11.635 1.00 0.00 O ATOM 0 H GLY A 77 21.195 -10.197 -12.646 1.00 0.00 H new ATOM 0 HA2 GLY A 77 23.549 -10.597 -12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.955 -9.569 -13.546 1.00 0.00 H new ATOM 1183 N ASN A 78 22.086 -8.187 -11.258 1.00 0.00 N ATOM 1184 CA ASN A 78 21.969 -7.048 -10.356 1.00 0.00 C ATOM 1185 C ASN A 78 21.426 -7.484 -8.998 1.00 0.00 C ATOM 1186 O ASN A 78 20.309 -7.994 -8.901 1.00 0.00 O ATOM 1187 CB ASN A 78 21.058 -5.980 -10.963 1.00 0.00 C ATOM 1188 CG ASN A 78 21.814 -5.017 -11.858 1.00 0.00 C ATOM 1189 OD1 ASN A 78 22.701 -4.295 -11.403 1.00 0.00 O ATOM 1190 ND2 ASN A 78 21.465 -5.001 -13.139 1.00 0.00 N ATOM 0 H ASN A 78 21.216 -8.699 -11.406 1.00 0.00 H new ATOM 0 HA ASN A 78 22.964 -6.627 -10.212 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.269 -6.464 -11.539 1.00 0.00 H new ATOM 0 HB3 ASN A 78 20.572 -5.423 -10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 78 21.938 -4.373 -13.789 1.00 0.00 H new ATOM 0 HD22 ASN A 78 20.724 -5.617 -13.473 1.00 0.00 H new ATOM 1197 N GLU A 79 22.223 -7.281 -7.955 1.00 0.00 N ATOM 1198 CA GLU A 79 21.822 -7.654 -6.604 1.00 0.00 C ATOM 1199 C GLU A 79 20.603 -6.852 -6.156 1.00 0.00 C ATOM 1200 O GLU A 79 20.731 -5.848 -5.456 1.00 0.00 O ATOM 1201 CB GLU A 79 22.978 -7.433 -5.627 1.00 0.00 C ATOM 1202 CG GLU A 79 23.665 -6.087 -5.791 1.00 0.00 C ATOM 1203 CD GLU A 79 24.493 -5.704 -4.580 1.00 0.00 C ATOM 1204 OE1 GLU A 79 24.162 -6.160 -3.466 1.00 0.00 O ATOM 1205 OE2 GLU A 79 25.473 -4.948 -4.747 1.00 0.00 O ATOM 0 H GLU A 79 23.150 -6.860 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 79 21.557 -8.711 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.602 -7.518 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.714 -8.226 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 79 24.307 -6.116 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.913 -5.319 -5.970 1.00 0.00 H new ATOM 1212 N VAL A 80 19.421 -7.304 -6.564 1.00 0.00 N ATOM 1213 CA VAL A 80 18.181 -6.629 -6.203 1.00 0.00 C ATOM 1214 C VAL A 80 17.710 -7.054 -4.815 1.00 0.00 C ATOM 1215 O VAL A 80 18.404 -7.787 -4.111 1.00 0.00 O ATOM 1216 CB VAL A 80 17.065 -6.917 -7.229 1.00 0.00 C ATOM 1217 CG1 VAL A 80 17.502 -6.494 -8.624 1.00 0.00 C ATOM 1218 CG2 VAL A 80 16.678 -8.388 -7.210 1.00 0.00 C ATOM 0 H VAL A 80 19.297 -8.134 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 80 18.390 -5.559 -6.199 1.00 0.00 H new ATOM 0 HB VAL A 80 16.187 -6.334 -6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.703 -6.704 -9.335 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.720 -5.426 -8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.396 -7.048 -8.909 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.890 -8.566 -7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.548 -8.996 -7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.319 -8.657 -6.217 1.00 0.00 H new ATOM 1228 N VAL A 81 16.525 -6.591 -4.430 1.00 0.00 N ATOM 1229 CA VAL A 81 15.963 -6.926 -3.127 1.00 0.00 C ATOM 1230 C VAL A 81 14.687 -7.752 -3.278 1.00 0.00 C ATOM 1231 O VAL A 81 13.860 -7.473 -4.146 1.00 0.00 O ATOM 1232 CB VAL A 81 15.646 -5.659 -2.309 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.289 -6.024 -0.876 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.821 -4.693 -2.344 1.00 0.00 C ATOM 0 H VAL A 81 15.937 -5.984 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 81 16.714 -7.512 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 81 14.785 -5.164 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.068 -5.117 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.414 -6.674 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.128 -6.543 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.579 -3.804 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.702 -5.176 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.025 -4.406 -3.375 1.00 0.00 H new ATOM 1244 N PRO A 82 14.508 -8.786 -2.435 1.00 0.00 N ATOM 1245 CA PRO A 82 13.323 -9.648 -2.488 1.00 0.00 C ATOM 1246 C PRO A 82 12.024 -8.849 -2.460 1.00 0.00 C ATOM 1247 O PRO A 82 11.846 -7.965 -1.622 1.00 0.00 O ATOM 1248 CB PRO A 82 13.451 -10.507 -1.229 1.00 0.00 C ATOM 1249 CG PRO A 82 14.909 -10.531 -0.932 1.00 0.00 C ATOM 1250 CD PRO A 82 15.442 -9.194 -1.368 1.00 0.00 C ATOM 0 HA PRO A 82 13.281 -10.226 -3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.885 -10.081 -0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 82 13.065 -11.513 -1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 82 15.088 -10.695 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 82 15.403 -11.342 -1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.451 -8.478 -0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 82 16.465 -9.270 -1.737 1.00 0.00 H new ATOM 1258 N LYS A 83 11.122 -9.163 -3.383 1.00 0.00 N ATOM 1259 CA LYS A 83 9.839 -8.474 -3.469 1.00 0.00 C ATOM 1260 C LYS A 83 9.087 -8.546 -2.137 1.00 0.00 C ATOM 1261 O LYS A 83 8.815 -9.634 -1.629 1.00 0.00 O ATOM 1262 CB LYS A 83 8.984 -9.083 -4.581 1.00 0.00 C ATOM 1263 CG LYS A 83 9.159 -8.399 -5.927 1.00 0.00 C ATOM 1264 CD LYS A 83 10.157 -9.137 -6.803 1.00 0.00 C ATOM 1265 CE LYS A 83 11.031 -8.172 -7.588 1.00 0.00 C ATOM 1266 NZ LYS A 83 12.147 -7.635 -6.761 1.00 0.00 N ATOM 0 H LYS A 83 11.256 -9.892 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 83 10.034 -7.427 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.235 -10.139 -4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.935 -9.032 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.197 -8.345 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.496 -7.374 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.785 -9.775 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.623 -9.790 -7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.439 -8.680 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.421 -7.346 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.325 -6.644 -7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.891 -7.689 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.006 -8.197 -6.930 1.00 0.00 H new ATOM 1280 N PRO A 84 8.739 -7.384 -1.553 1.00 0.00 N ATOM 1281 CA PRO A 84 8.015 -7.326 -0.278 1.00 0.00 C ATOM 1282 C PRO A 84 6.542 -7.687 -0.427 1.00 0.00 C ATOM 1283 O PRO A 84 6.085 -8.038 -1.514 1.00 0.00 O ATOM 1284 CB PRO A 84 8.158 -5.866 0.136 1.00 0.00 C ATOM 1285 CG PRO A 84 8.261 -5.132 -1.150 1.00 0.00 C ATOM 1286 CD PRO A 84 9.018 -6.036 -2.084 1.00 0.00 C ATOM 0 HA PRO A 84 8.411 -8.037 0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.300 -5.531 0.718 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.042 -5.712 0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.273 -4.900 -1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.782 -4.184 -1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.674 -5.930 -3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.085 -5.815 -2.080 1.00 0.00 H new ATOM 1294 N GLN A 85 5.800 -7.584 0.671 1.00 0.00 N ATOM 1295 CA GLN A 85 4.374 -7.886 0.658 1.00 0.00 C ATOM 1296 C GLN A 85 3.590 -6.706 0.096 1.00 0.00 C ATOM 1297 O GLN A 85 3.577 -5.624 0.682 1.00 0.00 O ATOM 1298 CB GLN A 85 3.884 -8.217 2.068 1.00 0.00 C ATOM 1299 CG GLN A 85 4.654 -9.348 2.730 1.00 0.00 C ATOM 1300 CD GLN A 85 4.016 -10.704 2.495 1.00 0.00 C ATOM 1301 OE1 GLN A 85 3.459 -11.308 3.411 1.00 0.00 O ATOM 1302 NE2 GLN A 85 4.095 -11.189 1.261 1.00 0.00 N ATOM 0 H GLN A 85 6.162 -7.294 1.579 1.00 0.00 H new ATOM 0 HA GLN A 85 4.211 -8.754 0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.960 -7.324 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.828 -8.485 2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.675 -9.360 2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.717 -9.161 3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.566 -10.654 0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.684 -12.097 1.042 1.00 0.00 H new ATOM 1311 N ARG A 86 2.948 -6.917 -1.047 1.00 0.00 N ATOM 1312 CA ARG A 86 2.176 -5.861 -1.691 1.00 0.00 C ATOM 1313 C ARG A 86 0.676 -6.097 -1.546 1.00 0.00 C ATOM 1314 O ARG A 86 0.137 -7.073 -2.066 1.00 0.00 O ATOM 1315 CB ARG A 86 2.543 -5.765 -3.173 1.00 0.00 C ATOM 1316 CG ARG A 86 4.038 -5.854 -3.437 1.00 0.00 C ATOM 1317 CD ARG A 86 4.336 -5.940 -4.926 1.00 0.00 C ATOM 1318 NE ARG A 86 5.566 -5.236 -5.279 1.00 0.00 N ATOM 1319 CZ ARG A 86 6.237 -5.438 -6.411 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.801 -6.322 -7.301 1.00 0.00 N ATOM 1321 NH2 ARG A 86 7.348 -4.755 -6.655 1.00 0.00 N ATOM 0 H ARG A 86 2.946 -7.807 -1.546 1.00 0.00 H new ATOM 0 HA ARG A 86 2.422 -4.922 -1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.038 -6.564 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.168 -4.822 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.536 -4.981 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.446 -6.729 -2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.420 -6.986 -5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.503 -5.518 -5.488 1.00 0.00 H new ATOM 0 HE ARG A 86 5.932 -4.549 -4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.948 -6.850 -7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.319 -6.472 -8.167 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.688 -4.075 -5.975 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.862 -4.910 -7.522 1.00 0.00 H new ATOM 1335 N HIS A 87 0.007 -5.185 -0.849 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.433 -5.279 -0.647 1.00 0.00 C ATOM 1337 C HIS A 87 -2.164 -4.491 -1.729 1.00 0.00 C ATOM 1338 O HIS A 87 -2.083 -3.264 -1.777 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.816 -4.751 0.736 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.942 -5.266 1.836 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.811 -6.607 2.130 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.147 -4.612 2.716 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.023 -6.756 3.143 1.00 0.00 C ATOM 1344 NE2 HIS A 87 0.440 -5.561 3.517 1.00 0.00 N ATOM 0 H HIS A 87 0.441 -4.371 -0.414 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.725 -6.327 -0.711 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.770 -3.662 0.726 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.850 -5.024 0.947 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.002 -3.544 2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.314 -7.695 3.589 1.00 0.00 H new ATOM 0 HE2 HIS A 87 1.093 -5.373 4.278 1.00 0.00 H new ATOM 1353 N MET A 88 -2.863 -5.203 -2.606 1.00 0.00 N ATOM 1354 CA MET A 88 -3.589 -4.564 -3.696 1.00 0.00 C ATOM 1355 C MET A 88 -4.992 -4.147 -3.270 1.00 0.00 C ATOM 1356 O MET A 88 -5.868 -4.988 -3.063 1.00 0.00 O ATOM 1357 CB MET A 88 -3.672 -5.507 -4.898 1.00 0.00 C ATOM 1358 CG MET A 88 -4.327 -4.878 -6.119 1.00 0.00 C ATOM 1359 SD MET A 88 -3.192 -4.706 -7.511 1.00 0.00 S ATOM 1360 CE MET A 88 -3.224 -2.932 -7.758 1.00 0.00 C ATOM 0 H MET A 88 -2.942 -6.220 -2.583 1.00 0.00 H new ATOM 0 HA MET A 88 -3.040 -3.664 -3.975 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.667 -5.834 -5.163 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.232 -6.397 -4.613 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.178 -5.487 -6.423 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.717 -3.896 -5.851 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.291 -2.612 -8.223 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.061 -2.670 -8.406 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.340 -2.433 -6.796 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.202 -2.840 -3.161 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.499 -2.297 -2.784 1.00 0.00 C ATOM 1372 C PHE A 89 -7.170 -1.668 -3.999 1.00 0.00 C ATOM 1373 O PHE A 89 -6.527 -1.453 -5.027 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.345 -1.258 -1.671 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.861 -1.838 -0.372 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.633 -2.756 0.322 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.635 -1.465 0.154 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.191 -3.291 1.518 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.187 -1.996 1.349 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.966 -2.911 2.032 1.00 0.00 C ATOM 0 H PHE A 89 -4.485 -2.134 -3.330 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.123 -3.110 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.647 -0.488 -1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.305 -0.769 -1.506 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.591 -3.057 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.022 -0.751 -0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.802 -4.005 2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.229 -1.696 1.749 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.618 -3.328 2.965 1.00 0.00 H new ATOM 1390 N SER A 90 -8.459 -1.379 -3.885 1.00 0.00 N ATOM 1391 CA SER A 90 -9.196 -0.780 -4.991 1.00 0.00 C ATOM 1392 C SER A 90 -10.094 0.349 -4.505 1.00 0.00 C ATOM 1393 O SER A 90 -10.786 0.216 -3.497 1.00 0.00 O ATOM 1394 CB SER A 90 -10.031 -1.842 -5.708 1.00 0.00 C ATOM 1395 OG SER A 90 -10.269 -2.958 -4.867 1.00 0.00 O ATOM 0 H SER A 90 -9.013 -1.548 -3.045 1.00 0.00 H new ATOM 0 HA SER A 90 -8.472 -0.362 -5.691 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.981 -1.411 -6.022 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.514 -2.167 -6.611 1.00 0.00 H new ATOM 0 HG SER A 90 -10.806 -3.622 -5.348 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.080 1.460 -5.233 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.897 2.616 -4.882 1.00 0.00 C ATOM 1403 C PHE A 91 -11.885 2.933 -6.002 1.00 0.00 C ATOM 1404 O PHE A 91 -11.743 2.441 -7.121 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.008 3.825 -4.593 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.273 3.720 -3.286 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.418 2.656 -3.040 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.440 4.679 -2.304 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.744 2.555 -1.837 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.770 4.586 -1.101 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.919 3.522 -0.865 1.00 0.00 C ATOM 0 H PHE A 91 -9.511 1.585 -6.071 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.464 2.380 -3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.285 3.938 -5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.622 4.726 -4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.277 1.898 -3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.104 5.512 -2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.081 1.721 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.910 5.344 -0.344 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.393 3.447 0.075 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.895 3.743 -5.694 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.910 4.102 -6.681 1.00 0.00 C ATOM 1423 C ASN A 92 -13.817 5.570 -7.085 1.00 0.00 C ATOM 1424 O ASN A 92 -14.239 5.949 -8.177 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.307 3.800 -6.135 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.776 2.403 -6.491 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.879 2.219 -7.006 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.941 1.409 -6.215 1.00 0.00 N ATOM 0 H ASN A 92 -13.032 4.161 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.728 3.500 -7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.303 3.914 -5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.014 4.530 -6.530 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.204 0.447 -6.430 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.036 1.607 -5.788 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.272 6.393 -6.200 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.137 7.821 -6.475 1.00 0.00 C ATOM 1437 C ASN A 93 -11.669 8.231 -6.546 1.00 0.00 C ATOM 1438 O ASN A 93 -10.786 7.504 -6.088 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.863 8.641 -5.403 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.040 9.414 -5.967 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -14.885 10.225 -6.878 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.225 9.164 -5.424 1.00 0.00 N ATOM 0 H ASN A 93 -12.917 6.101 -5.289 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.593 8.021 -7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.213 7.975 -4.615 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.161 9.337 -4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.054 9.653 -5.761 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.307 8.482 -4.670 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.417 9.400 -7.127 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.058 9.912 -7.265 1.00 0.00 C ATOM 1451 C ARG A 94 -9.635 10.685 -6.021 1.00 0.00 C ATOM 1452 O ARG A 94 -8.492 10.585 -5.576 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.957 10.815 -8.496 1.00 0.00 C ATOM 1454 CG ARG A 94 -10.833 12.055 -8.417 1.00 0.00 C ATOM 1455 CD ARG A 94 -11.297 12.498 -9.795 1.00 0.00 C ATOM 1456 NE ARG A 94 -12.630 13.096 -9.758 1.00 0.00 N ATOM 1457 CZ ARG A 94 -13.407 13.242 -10.828 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.990 12.835 -12.021 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -14.605 13.795 -10.707 1.00 0.00 N ATOM 0 H ARG A 94 -12.138 10.011 -7.510 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.387 9.061 -7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.919 11.122 -8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.234 10.241 -9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.700 11.850 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.278 12.864 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.588 13.219 -10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.303 11.641 -10.468 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.986 13.421 -8.859 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.069 12.408 -12.121 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.590 12.950 -12.838 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.932 14.109 -9.793 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.200 13.907 -11.528 1.00 0.00 H new ATOM 1473 N THR A 95 -10.562 11.455 -5.465 1.00 0.00 N ATOM 1474 CA THR A 95 -10.284 12.245 -4.274 1.00 0.00 C ATOM 1475 C THR A 95 -10.156 11.343 -3.047 1.00 0.00 C ATOM 1476 O THR A 95 -9.302 11.565 -2.189 1.00 0.00 O ATOM 1477 CB THR A 95 -11.379 13.294 -4.079 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.921 14.571 -4.487 1.00 0.00 O ATOM 1479 CG2 THR A 95 -11.867 13.420 -2.654 1.00 0.00 C ATOM 0 H THR A 95 -11.513 11.549 -5.821 1.00 0.00 H new ATOM 0 HA THR A 95 -9.333 12.761 -4.404 1.00 0.00 H new ATOM 0 HB THR A 95 -12.211 12.947 -4.691 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.634 15.231 -4.358 1.00 0.00 H new ATOM 0 HG21 THR A 95 -12.642 14.184 -2.601 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.276 12.465 -2.324 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.035 13.701 -2.008 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.009 10.328 -2.972 1.00 0.00 N ATOM 1488 CA VAL A 96 -10.988 9.396 -1.853 1.00 0.00 C ATOM 1489 C VAL A 96 -9.659 8.650 -1.792 1.00 0.00 C ATOM 1490 O VAL A 96 -9.071 8.496 -0.723 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.141 8.378 -1.946 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.041 7.573 -3.233 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -12.149 7.460 -0.732 1.00 0.00 C ATOM 0 H VAL A 96 -11.723 10.130 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.113 9.984 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.083 8.927 -1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.864 6.859 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.095 8.246 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.093 7.036 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.971 6.749 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.205 6.918 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.277 8.054 0.173 1.00 0.00 H new ATOM 1503 N MET A 97 -9.187 8.195 -2.949 1.00 0.00 N ATOM 1504 CA MET A 97 -7.922 7.473 -3.021 1.00 0.00 C ATOM 1505 C MET A 97 -6.769 8.383 -2.634 1.00 0.00 C ATOM 1506 O MET A 97 -5.800 7.954 -2.008 1.00 0.00 O ATOM 1507 CB MET A 97 -7.701 6.917 -4.427 1.00 0.00 C ATOM 1508 CG MET A 97 -7.714 7.979 -5.514 1.00 0.00 C ATOM 1509 SD MET A 97 -7.038 7.383 -7.075 1.00 0.00 S ATOM 1510 CE MET A 97 -5.495 8.289 -7.144 1.00 0.00 C ATOM 0 H MET A 97 -9.659 8.313 -3.845 1.00 0.00 H new ATOM 0 HA MET A 97 -7.963 6.640 -2.319 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.745 6.393 -4.455 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.475 6.180 -4.642 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.737 8.319 -5.672 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.139 8.843 -5.180 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.494 8.940 -8.018 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.387 8.892 -6.243 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.664 7.587 -7.213 1.00 0.00 H new ATOM 1520 N ASP A 98 -6.889 9.645 -3.012 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.867 10.637 -2.708 1.00 0.00 C ATOM 1522 C ASP A 98 -5.794 10.890 -1.206 1.00 0.00 C ATOM 1523 O ASP A 98 -4.741 11.249 -0.678 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.159 11.946 -3.446 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.541 11.979 -4.830 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -6.164 11.444 -5.771 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.434 12.540 -4.972 1.00 0.00 O ATOM 0 H ASP A 98 -7.687 10.009 -3.532 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.905 10.250 -3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.237 12.080 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.778 12.783 -2.861 1.00 0.00 H new ATOM 1532 N ASN A 99 -6.916 10.697 -0.520 1.00 0.00 N ATOM 1533 CA ASN A 99 -6.972 10.900 0.923 1.00 0.00 C ATOM 1534 C ASN A 99 -6.122 9.862 1.646 1.00 0.00 C ATOM 1535 O ASN A 99 -5.571 10.131 2.713 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.419 10.825 1.414 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.107 12.176 1.396 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -8.936 12.985 2.308 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -9.892 12.426 0.354 1.00 0.00 N ATOM 0 H ASN A 99 -7.797 10.401 -0.939 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.574 11.890 1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.976 10.128 0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.435 10.426 2.428 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.382 13.318 0.287 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.005 11.726 -0.379 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.016 8.676 1.055 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.230 7.596 1.640 1.00 0.00 C ATOM 1548 C ILE A 100 -3.757 7.729 1.268 1.00 0.00 C ATOM 1549 O ILE A 100 -2.881 7.690 2.131 1.00 0.00 O ATOM 1550 CB ILE A 100 -5.742 6.215 1.180 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.242 6.086 1.444 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -4.978 5.099 1.880 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.601 6.072 2.913 1.00 0.00 C ATOM 0 H ILE A 100 -6.465 8.439 0.171 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.339 7.673 2.722 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.572 6.125 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.760 6.914 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.606 5.169 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.354 4.133 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.917 5.179 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.115 5.185 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.681 5.978 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.112 5.228 3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.268 7.000 3.378 1.00 0.00 H new ATOM 1565 N LYS A 101 -3.489 7.879 -0.025 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.121 8.009 -0.515 1.00 0.00 C ATOM 1567 C LYS A 101 -1.388 9.159 0.172 1.00 0.00 C ATOM 1568 O LYS A 101 -0.182 9.083 0.409 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.118 8.215 -2.034 1.00 0.00 C ATOM 1570 CG LYS A 101 -2.573 9.600 -2.470 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.393 10.536 -2.674 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.827 11.992 -2.653 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.990 12.544 -4.027 1.00 0.00 N ATOM 0 H LYS A 101 -4.202 7.914 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.594 7.085 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.111 8.038 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.767 7.469 -2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.141 9.522 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.244 10.017 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.652 10.365 -1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.910 10.313 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.769 12.082 -2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.089 12.583 -2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.489 13.452 -4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.595 11.875 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.001 12.690 -4.225 1.00 0.00 H new ATOM 1587 N MET A 102 -2.118 10.225 0.485 1.00 0.00 N ATOM 1588 CA MET A 102 -1.529 11.391 1.136 1.00 0.00 C ATOM 1589 C MET A 102 -1.445 11.205 2.645 1.00 0.00 C ATOM 1590 O MET A 102 -0.469 11.606 3.280 1.00 0.00 O ATOM 1591 CB MET A 102 -2.337 12.648 0.809 1.00 0.00 C ATOM 1592 CG MET A 102 -3.708 12.685 1.464 1.00 0.00 C ATOM 1593 SD MET A 102 -4.830 13.848 0.663 1.00 0.00 S ATOM 1594 CE MET A 102 -4.917 15.141 1.898 1.00 0.00 C ATOM 0 H MET A 102 -3.118 10.306 0.299 1.00 0.00 H new ATOM 0 HA MET A 102 -0.515 11.506 0.753 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.771 13.524 1.124 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.459 12.719 -0.272 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.146 11.687 1.438 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.598 12.957 2.514 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.576 15.935 1.547 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.308 14.730 2.829 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.920 15.547 2.071 1.00 0.00 H new ATOM 1604 N THR A 103 -2.477 10.605 3.210 1.00 0.00 N ATOM 1605 CA THR A 103 -2.536 10.373 4.649 1.00 0.00 C ATOM 1606 C THR A 103 -1.581 9.263 5.072 1.00 0.00 C ATOM 1607 O THR A 103 -0.866 9.397 6.065 1.00 0.00 O ATOM 1608 CB THR A 103 -3.966 10.030 5.078 1.00 0.00 C ATOM 1609 OG1 THR A 103 -4.834 11.126 4.845 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.085 9.658 6.542 1.00 0.00 C ATOM 0 H THR A 103 -3.290 10.267 2.696 1.00 0.00 H new ATOM 0 HA THR A 103 -2.227 11.292 5.146 1.00 0.00 H new ATOM 0 HB THR A 103 -4.245 9.164 4.477 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.650 10.809 4.405 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.124 9.428 6.776 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.465 8.785 6.747 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.751 10.493 7.158 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.562 8.172 4.318 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.677 7.062 4.635 1.00 0.00 C ATOM 1620 C LEU A 104 0.771 7.532 4.611 1.00 0.00 C ATOM 1621 O LEU A 104 1.490 7.405 5.601 1.00 0.00 O ATOM 1622 CB LEU A 104 -0.882 5.905 3.655 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.863 4.829 4.126 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.226 5.438 4.413 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.979 3.721 3.087 1.00 0.00 C ATOM 0 H LEU A 104 -2.143 8.033 3.491 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.916 6.701 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.236 6.309 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.083 5.437 3.461 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.480 4.395 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.910 4.658 4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.130 6.194 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.617 5.899 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.681 2.965 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.338 4.140 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.001 3.265 2.931 1.00 0.00 H new ATOM 1637 N GLN A 105 1.184 8.100 3.478 1.00 0.00 N ATOM 1638 CA GLN A 105 2.544 8.614 3.328 1.00 0.00 C ATOM 1639 C GLN A 105 2.888 9.554 4.476 1.00 0.00 C ATOM 1640 O GLN A 105 4.044 9.654 4.884 1.00 0.00 O ATOM 1641 CB GLN A 105 2.699 9.338 1.988 1.00 0.00 C ATOM 1642 CG GLN A 105 1.852 10.595 1.871 1.00 0.00 C ATOM 1643 CD GLN A 105 2.049 11.309 0.548 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.470 12.465 0.509 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.745 10.621 -0.546 1.00 0.00 N ATOM 0 H GLN A 105 0.597 8.215 2.652 1.00 0.00 H new ATOM 0 HA GLN A 105 3.234 7.770 3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.747 9.602 1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.432 8.654 1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.800 10.332 1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.101 11.274 2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.399 9.665 -0.467 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.858 11.049 -1.465 1.00 0.00 H new ATOM 1654 N GLN A 106 1.870 10.225 5.006 1.00 0.00 N ATOM 1655 CA GLN A 106 2.067 11.139 6.125 1.00 0.00 C ATOM 1656 C GLN A 106 2.551 10.362 7.342 1.00 0.00 C ATOM 1657 O GLN A 106 3.336 10.860 8.147 1.00 0.00 O ATOM 1658 CB GLN A 106 0.769 11.887 6.448 1.00 0.00 C ATOM 1659 CG GLN A 106 0.807 13.361 6.078 1.00 0.00 C ATOM 1660 CD GLN A 106 2.028 14.072 6.629 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.037 14.518 7.776 1.00 0.00 O ATOM 1662 NE2 GLN A 106 3.067 14.181 5.810 1.00 0.00 N ATOM 0 H GLN A 106 0.906 10.154 4.681 1.00 0.00 H new ATOM 0 HA GLN A 106 2.821 11.876 5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.056 11.410 5.920 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.562 11.794 7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.794 13.459 4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.093 13.849 6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.015 13.796 4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.917 14.650 6.124 1.00 0.00 H new ATOM 1671 N ILE A 107 2.086 9.124 7.444 1.00 0.00 N ATOM 1672 CA ILE A 107 2.472 8.239 8.532 1.00 0.00 C ATOM 1673 C ILE A 107 3.797 7.561 8.195 1.00 0.00 C ATOM 1674 O ILE A 107 4.624 7.304 9.070 1.00 0.00 O ATOM 1675 CB ILE A 107 1.389 7.167 8.787 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.118 7.816 9.344 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.902 6.094 9.736 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.138 7.420 8.600 1.00 0.00 C ATOM 0 H ILE A 107 1.434 8.708 6.779 1.00 0.00 H new ATOM 0 HA ILE A 107 2.582 8.836 9.437 1.00 0.00 H new ATOM 0 HB ILE A 107 1.148 6.691 7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.010 7.543 10.394 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.227 8.900 9.306 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.122 5.351 9.900 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.777 5.612 9.301 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.175 6.550 10.688 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.998 7.917 9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.051 7.718 7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.271 6.340 8.660 1.00 0.00 H new ATOM 1690 N ILE A 108 3.987 7.292 6.910 1.00 0.00 N ATOM 1691 CA ILE A 108 5.207 6.665 6.421 1.00 0.00 C ATOM 1692 C ILE A 108 6.409 7.537 6.737 1.00 0.00 C ATOM 1693 O ILE A 108 7.375 7.096 7.360 1.00 0.00 O ATOM 1694 CB ILE A 108 5.139 6.455 4.897 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.847 5.738 4.527 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.348 5.685 4.399 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.751 5.360 3.065 1.00 0.00 C ATOM 0 H ILE A 108 3.304 7.501 6.182 1.00 0.00 H new ATOM 0 HA ILE A 108 5.307 5.699 6.917 1.00 0.00 H new ATOM 0 HB ILE A 108 5.147 7.431 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.758 4.836 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.002 6.378 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.275 5.551 3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.256 6.241 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.383 4.710 4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.803 4.854 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.807 6.260 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.574 4.694 2.807 1.00 0.00 H new ATOM 1709 N SER A 109 6.331 8.787 6.298 1.00 0.00 N ATOM 1710 CA SER A 109 7.403 9.753 6.525 1.00 0.00 C ATOM 1711 C SER A 109 7.781 9.818 8.001 1.00 0.00 C ATOM 1712 O SER A 109 8.909 10.168 8.350 1.00 0.00 O ATOM 1713 CB SER A 109 6.983 11.138 6.032 1.00 0.00 C ATOM 1714 OG SER A 109 7.247 11.290 4.648 1.00 0.00 O ATOM 0 H SER A 109 5.534 9.158 5.781 1.00 0.00 H new ATOM 0 HA SER A 109 8.276 9.423 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 109 5.920 11.287 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.517 11.904 6.593 1.00 0.00 H new ATOM 0 HG SER A 109 6.968 12.183 4.358 1.00 0.00 H new ATOM 1720 N ARG A 110 6.833 9.471 8.863 1.00 0.00 N ATOM 1721 CA ARG A 110 7.061 9.481 10.304 1.00 0.00 C ATOM 1722 C ARG A 110 8.240 8.582 10.663 1.00 0.00 C ATOM 1723 O ARG A 110 9.143 8.981 11.399 1.00 0.00 O ATOM 1724 CB ARG A 110 5.788 9.030 11.037 1.00 0.00 C ATOM 1725 CG ARG A 110 5.873 7.651 11.681 1.00 0.00 C ATOM 1726 CD ARG A 110 4.586 7.292 12.409 1.00 0.00 C ATOM 1727 NE ARG A 110 4.117 8.382 13.261 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.871 8.485 13.716 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.964 7.566 13.403 1.00 0.00 N ATOM 1730 NH2 ARG A 110 2.529 9.509 14.486 1.00 0.00 N ATOM 0 H ARG A 110 5.895 9.178 8.588 1.00 0.00 H new ATOM 0 HA ARG A 110 7.303 10.496 10.618 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.552 9.762 11.810 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.958 9.034 10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.079 6.903 10.915 1.00 0.00 H new ATOM 0 HG3 ARG A 110 6.707 7.627 12.382 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.814 7.044 11.680 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.749 6.402 13.016 1.00 0.00 H new ATOM 0 HE ARG A 110 4.785 9.107 13.523 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.221 6.776 12.811 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.010 7.650 13.755 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.221 10.218 14.729 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.574 9.588 14.835 1.00 0.00 H new ATOM 1744 N TYR A 111 8.222 7.370 10.125 1.00 0.00 N ATOM 1745 CA TYR A 111 9.288 6.406 10.373 1.00 0.00 C ATOM 1746 C TYR A 111 10.559 6.816 9.638 1.00 0.00 C ATOM 1747 O TYR A 111 11.666 6.462 10.046 1.00 0.00 O ATOM 1748 CB TYR A 111 8.867 5.001 9.926 1.00 0.00 C ATOM 1749 CG TYR A 111 7.392 4.714 10.097 1.00 0.00 C ATOM 1750 CD1 TYR A 111 6.828 4.597 11.361 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.564 4.559 8.992 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.482 4.333 11.519 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.216 4.296 9.142 1.00 0.00 C ATOM 1754 CZ TYR A 111 4.680 4.183 10.408 1.00 0.00 C ATOM 1755 OH TYR A 111 3.340 3.921 10.561 1.00 0.00 O ATOM 0 H TYR A 111 7.480 7.030 9.513 1.00 0.00 H new ATOM 0 HA TYR A 111 9.483 6.391 11.445 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.132 4.871 8.877 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.437 4.265 10.493 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.452 4.714 12.234 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.981 4.646 8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.059 4.244 12.509 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.585 4.180 8.273 1.00 0.00 H new ATOM 0 HH TYR A 111 3.224 3.050 10.996 1.00 0.00 H new ATOM 1765 N LYS A 112 10.390 7.560 8.549 1.00 0.00 N ATOM 1766 CA LYS A 112 11.519 8.017 7.751 1.00 0.00 C ATOM 1767 C LYS A 112 12.519 8.792 8.605 1.00 0.00 C ATOM 1768 O LYS A 112 13.644 8.342 8.822 1.00 0.00 O ATOM 1769 CB LYS A 112 11.032 8.892 6.594 1.00 0.00 C ATOM 1770 CG LYS A 112 11.947 8.863 5.381 1.00 0.00 C ATOM 1771 CD LYS A 112 11.160 8.703 4.090 1.00 0.00 C ATOM 1772 CE LYS A 112 10.191 9.856 3.882 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.864 11.049 3.297 1.00 0.00 N ATOM 0 H LYS A 112 9.479 7.859 8.200 1.00 0.00 H new ATOM 0 HA LYS A 112 12.022 7.138 7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.036 8.564 6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.937 9.920 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.529 9.784 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.657 8.042 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.849 8.649 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.609 7.763 4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.383 9.537 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.738 10.126 4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.169 11.813 3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.619 11.370 3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.274 10.799 2.375 1.00 0.00 H new ATOM 1787 N ASP A 113 12.100 9.957 9.086 1.00 0.00 N ATOM 1788 CA ASP A 113 12.958 10.794 9.917 1.00 0.00 C ATOM 1789 C ASP A 113 13.374 10.057 11.186 1.00 0.00 C ATOM 1790 O ASP A 113 14.464 10.276 11.714 1.00 0.00 O ATOM 1791 CB ASP A 113 12.239 12.094 10.281 1.00 0.00 C ATOM 1792 CG ASP A 113 11.613 12.766 9.075 1.00 0.00 C ATOM 1793 OD1 ASP A 113 10.801 12.114 8.386 1.00 0.00 O ATOM 1794 OD2 ASP A 113 11.936 13.946 8.819 1.00 0.00 O ATOM 0 H ASP A 113 11.172 10.343 8.915 1.00 0.00 H new ATOM 0 HA ASP A 113 13.856 11.031 9.346 1.00 0.00 H new ATOM 0 HB2 ASP A 113 11.465 11.883 11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 113 12.947 12.779 10.748 1.00 0.00 H new ATOM 1799 N ALA A 114 12.499 9.181 11.669 1.00 0.00 N ATOM 1800 CA ALA A 114 12.775 8.412 12.876 1.00 0.00 C ATOM 1801 C ALA A 114 13.892 7.401 12.639 1.00 0.00 C ATOM 1802 O ALA A 114 14.782 7.236 13.474 1.00 0.00 O ATOM 1803 CB ALA A 114 11.515 7.706 13.352 1.00 0.00 C ATOM 0 H ALA A 114 11.593 8.986 11.243 1.00 0.00 H new ATOM 0 HA ALA A 114 13.105 9.105 13.650 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.736 7.136 14.254 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.744 8.445 13.570 1.00 0.00 H new ATOM 0 HB3 ALA A 114 11.160 7.031 12.574 1.00 0.00 H new ATOM 1809 N ASP A 115 13.841 6.728 11.495 1.00 0.00 N ATOM 1810 CA ASP A 115 14.848 5.732 11.147 1.00 0.00 C ATOM 1811 C ASP A 115 16.011 6.374 10.397 1.00 0.00 C ATOM 1812 O ASP A 115 17.120 6.435 10.968 1.00 0.00 O ATOM 1813 CB ASP A 115 14.228 4.624 10.295 1.00 0.00 C ATOM 1814 CG ASP A 115 13.699 3.477 11.135 1.00 0.00 C ATOM 1815 OD1 ASP A 115 14.520 2.678 11.632 1.00 0.00 O ATOM 1816 OD2 ASP A 115 12.464 3.378 11.295 1.00 0.00 O ATOM 0 H ASP A 115 13.113 6.854 10.792 1.00 0.00 H new ATOM 0 HA ASP A 115 15.229 5.299 12.072 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.415 5.039 9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.974 4.245 9.597 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N TYR B 90 1.807 -4.149 -18.435 1.00 0.00 N ATOM 1823 CA TYR B 90 0.727 -3.129 -18.502 1.00 0.00 C ATOM 1824 C TYR B 90 0.521 -2.458 -17.149 1.00 0.00 C ATOM 1825 O TYR B 90 0.739 -1.256 -17.001 1.00 0.00 O ATOM 1826 CB TYR B 90 -0.563 -3.814 -18.955 1.00 0.00 C ATOM 1827 CG TYR B 90 -0.786 -3.762 -20.450 1.00 0.00 C ATOM 1828 CD1 TYR B 90 -1.295 -2.620 -21.056 1.00 0.00 C ATOM 1829 CD2 TYR B 90 -0.485 -4.854 -21.254 1.00 0.00 C ATOM 1830 CE1 TYR B 90 -1.499 -2.568 -22.421 1.00 0.00 C ATOM 1831 CE2 TYR B 90 -0.687 -4.810 -22.621 1.00 0.00 C ATOM 1832 CZ TYR B 90 -1.194 -3.665 -23.200 1.00 0.00 C ATOM 1833 OH TYR B 90 -1.396 -3.617 -24.559 1.00 0.00 O ATOM 0 HA TYR B 90 1.009 -2.353 -19.214 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -0.542 -4.856 -18.636 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -1.409 -3.344 -18.454 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -1.535 -1.759 -20.450 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -0.087 -5.752 -20.804 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -1.895 -1.673 -22.876 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -0.449 -5.668 -23.233 1.00 0.00 H new ATOM 0 HH TYR B 90 -1.130 -4.471 -24.960 1.00 0.00 H new ATOM 1843 N ASP B 91 0.097 -3.242 -16.163 1.00 0.00 N ATOM 1844 CA ASP B 91 -0.140 -2.722 -14.821 1.00 0.00 C ATOM 1845 C ASP B 91 1.137 -2.129 -14.233 1.00 0.00 C ATOM 1846 O ASP B 91 1.089 -1.181 -13.451 1.00 0.00 O ATOM 1847 CB ASP B 91 -0.669 -3.831 -13.908 1.00 0.00 C ATOM 1848 CG ASP B 91 0.192 -5.079 -13.957 1.00 0.00 C ATOM 1849 OD1 ASP B 91 1.341 -5.026 -13.471 1.00 0.00 O ATOM 1850 OD2 ASP B 91 -0.284 -6.108 -14.479 1.00 0.00 O ATOM 0 H ASP B 91 -0.089 -4.239 -16.268 1.00 0.00 H new ATOM 0 HA ASP B 91 -0.887 -1.931 -14.892 1.00 0.00 H new ATOM 0 HB2 ASP B 91 -0.714 -3.464 -12.883 1.00 0.00 H new ATOM 0 HB3 ASP B 91 -1.688 -4.084 -14.201 1.00 0.00 H new ATOM 1855 N SER B 92 2.277 -2.695 -14.617 1.00 0.00 N ATOM 1856 CA SER B 92 3.566 -2.222 -14.128 1.00 0.00 C ATOM 1857 C SER B 92 3.878 -0.832 -14.673 1.00 0.00 C ATOM 1858 O SER B 92 4.491 -0.011 -13.991 1.00 0.00 O ATOM 1859 CB SER B 92 4.675 -3.199 -14.524 1.00 0.00 C ATOM 1860 OG SER B 92 5.646 -3.313 -13.498 1.00 0.00 O ATOM 0 H SER B 92 2.334 -3.481 -15.265 1.00 0.00 H new ATOM 0 HA SER B 92 3.515 -2.163 -13.041 1.00 0.00 H new ATOM 0 HB2 SER B 92 4.244 -4.178 -14.731 1.00 0.00 H new ATOM 0 HB3 SER B 92 5.152 -2.859 -15.444 1.00 0.00 H new ATOM 0 HG SER B 92 6.342 -3.944 -13.775 1.00 0.00 H new ATOM 1866 N GLU B 93 3.454 -0.576 -15.905 1.00 0.00 N ATOM 1867 CA GLU B 93 3.688 0.715 -16.543 1.00 0.00 C ATOM 1868 C GLU B 93 2.388 1.504 -16.671 1.00 0.00 C ATOM 1869 O GLU B 93 2.230 2.313 -17.585 1.00 0.00 O ATOM 1870 CB GLU B 93 4.318 0.520 -17.922 1.00 0.00 C ATOM 1871 CG GLU B 93 5.817 0.272 -17.877 1.00 0.00 C ATOM 1872 CD GLU B 93 6.622 1.500 -18.253 1.00 0.00 C ATOM 1873 OE1 GLU B 93 6.794 2.385 -17.389 1.00 0.00 O ATOM 1874 OE2 GLU B 93 7.082 1.577 -19.412 1.00 0.00 O ATOM 0 H GLU B 93 2.946 -1.246 -16.483 1.00 0.00 H new ATOM 0 HA GLU B 93 4.375 1.282 -15.915 1.00 0.00 H new ATOM 0 HB2 GLU B 93 3.834 -0.321 -18.418 1.00 0.00 H new ATOM 0 HB3 GLU B 93 4.122 1.403 -18.530 1.00 0.00 H new ATOM 0 HG2 GLU B 93 6.098 -0.050 -16.874 1.00 0.00 H new ATOM 0 HG3 GLU B 93 6.067 -0.544 -18.555 1.00 0.00 H new ATOM 1881 N GLU B 94 1.460 1.263 -15.751 1.00 0.00 N ATOM 1882 CA GLU B 94 0.174 1.952 -15.762 1.00 0.00 C ATOM 1883 C GLU B 94 -0.031 2.742 -14.474 1.00 0.00 C ATOM 1884 O GLU B 94 -0.514 3.874 -14.498 1.00 0.00 O ATOM 1885 CB GLU B 94 -0.964 0.947 -15.945 1.00 0.00 C ATOM 1886 CG GLU B 94 -2.341 1.590 -15.998 1.00 0.00 C ATOM 1887 CD GLU B 94 -2.627 2.245 -17.335 1.00 0.00 C ATOM 1888 OE1 GLU B 94 -1.951 3.242 -17.664 1.00 0.00 O ATOM 1889 OE2 GLU B 94 -3.527 1.760 -18.052 1.00 0.00 O ATOM 0 H GLU B 94 1.574 0.596 -14.988 1.00 0.00 H new ATOM 0 HA GLU B 94 0.171 2.650 -16.599 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -0.798 0.387 -16.865 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -0.939 0.229 -15.125 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -3.099 0.833 -15.799 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -2.420 2.336 -15.208 1.00 0.00 H new ATOM 1896 N PHE B 95 0.339 2.138 -13.349 1.00 0.00 N ATOM 1897 CA PHE B 95 0.196 2.785 -12.050 1.00 0.00 C ATOM 1898 C PHE B 95 1.490 3.488 -11.650 1.00 0.00 C ATOM 1899 O PHE B 95 2.584 3.005 -11.939 1.00 0.00 O ATOM 1900 CB PHE B 95 -0.193 1.758 -10.981 1.00 0.00 C ATOM 1901 CG PHE B 95 -1.135 0.696 -11.474 1.00 0.00 C ATOM 1902 CD1 PHE B 95 -2.213 1.025 -12.280 1.00 0.00 C ATOM 1903 CD2 PHE B 95 -0.940 -0.634 -11.133 1.00 0.00 C ATOM 1904 CE1 PHE B 95 -3.079 0.051 -12.736 1.00 0.00 C ATOM 1905 CE2 PHE B 95 -1.802 -1.613 -11.586 1.00 0.00 C ATOM 1906 CZ PHE B 95 -2.874 -1.271 -12.388 1.00 0.00 C ATOM 0 H PHE B 95 0.740 1.201 -13.311 1.00 0.00 H new ATOM 0 HA PHE B 95 -0.595 3.531 -12.129 1.00 0.00 H new ATOM 0 HB2 PHE B 95 0.711 1.281 -10.603 1.00 0.00 H new ATOM 0 HB3 PHE B 95 -0.654 2.278 -10.142 1.00 0.00 H new ATOM 0 HD1 PHE B 95 -2.378 2.056 -12.555 1.00 0.00 H new ATOM 0 HD2 PHE B 95 -0.104 -0.907 -10.506 1.00 0.00 H new ATOM 0 HE1 PHE B 95 -3.915 0.322 -13.364 1.00 0.00 H new ATOM 0 HE2 PHE B 95 -1.638 -2.645 -11.314 1.00 0.00 H new ATOM 0 HZ PHE B 95 -3.550 -2.035 -12.742 1.00 0.00 H new ATOM 1916 N GLU B 96 1.357 4.632 -10.985 1.00 0.00 N ATOM 1917 CA GLU B 96 2.518 5.399 -10.547 1.00 0.00 C ATOM 1918 C GLU B 96 2.900 5.039 -9.115 1.00 0.00 C ATOM 1919 O GLU B 96 2.046 4.675 -8.307 1.00 0.00 O ATOM 1920 CB GLU B 96 2.233 6.899 -10.650 1.00 0.00 C ATOM 1921 CG GLU B 96 1.138 7.377 -9.711 1.00 0.00 C ATOM 1922 CD GLU B 96 1.647 7.639 -8.307 1.00 0.00 C ATOM 1923 OE1 GLU B 96 2.413 8.607 -8.124 1.00 0.00 O ATOM 1924 OE2 GLU B 96 1.279 6.875 -7.390 1.00 0.00 O ATOM 0 H GLU B 96 0.459 5.047 -10.738 1.00 0.00 H new ATOM 0 HA GLU B 96 3.354 5.149 -11.200 1.00 0.00 H new ATOM 0 HB2 GLU B 96 3.149 7.450 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU B 96 1.950 7.137 -11.675 1.00 0.00 H new ATOM 0 HG2 GLU B 96 0.696 8.290 -10.109 1.00 0.00 H new ATOM 0 HG3 GLU B 96 0.346 6.630 -9.673 1.00 0.00 H new ATOM 1931 N ASP B 97 4.189 5.138 -8.809 1.00 0.00 N ATOM 1932 CA ASP B 97 4.684 4.819 -7.475 1.00 0.00 C ATOM 1933 C ASP B 97 4.815 6.077 -6.620 1.00 0.00 C ATOM 1934 O ASP B 97 5.064 7.168 -7.132 1.00 0.00 O ATOM 1935 CB ASP B 97 6.037 4.112 -7.568 1.00 0.00 C ATOM 1936 CG ASP B 97 5.896 2.627 -7.842 1.00 0.00 C ATOM 1937 OD1 ASP B 97 5.822 2.247 -9.029 1.00 0.00 O ATOM 1938 OD2 ASP B 97 5.858 1.845 -6.869 1.00 0.00 O ATOM 0 H ASP B 97 4.910 5.436 -9.466 1.00 0.00 H new ATOM 0 HA ASP B 97 3.962 4.155 -7.000 1.00 0.00 H new ATOM 0 HB2 ASP B 97 6.630 4.570 -8.360 1.00 0.00 H new ATOM 0 HB3 ASP B 97 6.584 4.256 -6.636 1.00 0.00 H new ATOM 1943 N VAL B 98 4.647 5.911 -5.312 1.00 0.00 N ATOM 1944 CA VAL B 98 4.749 7.024 -4.375 1.00 0.00 C ATOM 1945 C VAL B 98 6.116 7.032 -3.696 1.00 0.00 C ATOM 1946 O VAL B 98 6.842 6.038 -3.736 1.00 0.00 O ATOM 1947 CB VAL B 98 3.645 6.947 -3.300 1.00 0.00 C ATOM 1948 CG1 VAL B 98 3.661 8.180 -2.409 1.00 0.00 C ATOM 1949 CG2 VAL B 98 2.281 6.771 -3.952 1.00 0.00 C ATOM 0 H VAL B 98 4.439 5.013 -4.876 1.00 0.00 H new ATOM 0 HA VAL B 98 4.623 7.945 -4.944 1.00 0.00 H new ATOM 0 HB VAL B 98 3.843 6.079 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL B 98 2.873 8.098 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL B 98 4.627 8.256 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL B 98 3.494 9.070 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL B 98 1.513 6.718 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL B 98 2.079 7.618 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL B 98 2.273 5.850 -4.536 1.00 0.00 H new ATOM 1959 N THR B 99 6.468 8.157 -3.077 1.00 0.00 N ATOM 1960 CA THR B 99 7.754 8.291 -2.394 1.00 0.00 C ATOM 1961 C THR B 99 8.044 7.080 -1.510 1.00 0.00 C ATOM 1962 O THR B 99 7.132 6.484 -0.937 1.00 0.00 O ATOM 1963 CB THR B 99 7.772 9.566 -1.549 1.00 0.00 C ATOM 1964 OG1 THR B 99 9.063 9.793 -1.011 1.00 0.00 O ATOM 1965 CG2 THR B 99 6.793 9.532 -0.393 1.00 0.00 C ATOM 0 H THR B 99 5.881 8.990 -3.034 1.00 0.00 H new ATOM 0 HA THR B 99 8.531 8.350 -3.156 1.00 0.00 H new ATOM 0 HB THR B 99 7.480 10.367 -2.228 1.00 0.00 H new ATOM 0 HG1 THR B 99 9.055 10.614 -0.475 1.00 0.00 H new ATOM 0 HG21 THR B 99 6.857 10.466 0.165 1.00 0.00 H new ATOM 0 HG22 THR B 99 5.781 9.407 -0.777 1.00 0.00 H new ATOM 0 HG23 THR B 99 7.037 8.698 0.266 1.00 0.00 H new ATOM 1973 N ASP B 100 9.319 6.722 -1.409 1.00 0.00 N ATOM 1974 CA ASP B 100 9.732 5.583 -0.597 1.00 0.00 C ATOM 1975 C ASP B 100 11.155 5.772 -0.078 1.00 0.00 C ATOM 1976 O ASP B 100 11.759 6.827 -0.265 1.00 0.00 O ATOM 1977 CB ASP B 100 9.640 4.291 -1.412 1.00 0.00 C ATOM 1978 CG ASP B 100 10.579 4.289 -2.603 1.00 0.00 C ATOM 1979 OD1 ASP B 100 11.809 4.231 -2.390 1.00 0.00 O ATOM 1980 OD2 ASP B 100 10.085 4.347 -3.749 1.00 0.00 O ATOM 0 H ASP B 100 10.085 7.204 -1.879 1.00 0.00 H new ATOM 0 HA ASP B 100 9.060 5.514 0.258 1.00 0.00 H new ATOM 0 HB2 ASP B 100 9.872 3.442 -0.769 1.00 0.00 H new ATOM 0 HB3 ASP B 100 8.616 4.157 -1.760 1.00 0.00 H new ATOM 1985 N GLY B 101 11.684 4.740 0.573 1.00 0.00 N ATOM 1986 CA GLY B 101 13.030 4.813 1.107 1.00 0.00 C ATOM 1987 C GLY B 101 13.065 5.346 2.526 1.00 0.00 C ATOM 1988 O GLY B 101 12.053 5.819 3.044 1.00 0.00 O ATOM 0 H GLY B 101 11.204 3.856 0.740 1.00 0.00 H new ATOM 0 HA2 GLY B 101 13.481 3.821 1.084 1.00 0.00 H new ATOM 0 HA3 GLY B 101 13.637 5.453 0.467 1.00 0.00 H new ATOM 1992 N ASN B 102 14.233 5.272 3.156 1.00 0.00 N ATOM 1993 CA ASN B 102 14.396 5.751 4.524 1.00 0.00 C ATOM 1994 C ASN B 102 15.750 6.431 4.704 1.00 0.00 C ATOM 1995 O ASN B 102 16.671 5.858 5.286 1.00 0.00 O ATOM 1996 CB ASN B 102 14.258 4.592 5.512 1.00 0.00 C ATOM 1997 CG ASN B 102 12.891 3.938 5.449 1.00 0.00 C ATOM 1998 OD1 ASN B 102 11.874 4.613 5.290 1.00 0.00 O ATOM 1999 ND2 ASN B 102 12.861 2.616 5.574 1.00 0.00 N ATOM 0 H ASN B 102 15.081 4.885 2.741 1.00 0.00 H new ATOM 0 HA ASN B 102 13.613 6.483 4.723 1.00 0.00 H new ATOM 0 HB2 ASN B 102 15.025 3.846 5.302 1.00 0.00 H new ATOM 0 HB3 ASN B 102 14.437 4.957 6.523 1.00 0.00 H new ATOM 0 HD21 ASN B 102 11.970 2.121 5.540 1.00 0.00 H new ATOM 0 HD22 ASN B 102 13.729 2.096 5.704 1.00 0.00 H new ATOM 2006 N GLU B 103 15.864 7.654 4.199 1.00 0.00 N ATOM 2007 CA GLU B 103 17.105 8.412 4.304 1.00 0.00 C ATOM 2008 C GLU B 103 17.326 8.899 5.733 1.00 0.00 C ATOM 2009 O GLU B 103 16.373 9.200 6.451 1.00 0.00 O ATOM 2010 CB GLU B 103 17.083 9.604 3.344 1.00 0.00 C ATOM 2011 CG GLU B 103 18.442 10.258 3.154 1.00 0.00 C ATOM 2012 CD GLU B 103 19.106 9.850 1.854 1.00 0.00 C ATOM 2013 OE1 GLU B 103 18.943 8.681 1.444 1.00 0.00 O ATOM 2014 OE2 GLU B 103 19.789 10.700 1.244 1.00 0.00 O ATOM 0 H GLU B 103 15.112 8.142 3.713 1.00 0.00 H new ATOM 0 HA GLU B 103 17.929 7.751 4.033 1.00 0.00 H new ATOM 0 HB2 GLU B 103 16.710 9.272 2.375 1.00 0.00 H new ATOM 0 HB3 GLU B 103 16.380 10.348 3.718 1.00 0.00 H new ATOM 0 HG2 GLU B 103 18.326 11.342 3.175 1.00 0.00 H new ATOM 0 HG3 GLU B 103 19.090 9.991 3.989 1.00 0.00 H new ATOM 2021 N VAL B 104 18.590 8.974 6.137 1.00 0.00 N ATOM 2022 CA VAL B 104 18.937 9.425 7.480 1.00 0.00 C ATOM 2023 C VAL B 104 18.806 10.938 7.602 1.00 0.00 C ATOM 2024 O VAL B 104 19.620 11.655 6.982 1.00 0.00 O ATOM 2025 CB VAL B 104 20.372 9.013 7.857 1.00 0.00 C ATOM 2026 CG1 VAL B 104 20.647 9.313 9.323 1.00 0.00 C ATOM 2027 CG2 VAL B 104 20.602 7.540 7.555 1.00 0.00 C ATOM 0 H VAL B 104 19.390 8.729 5.554 1.00 0.00 H new ATOM 0 HA VAL B 104 18.238 8.946 8.165 1.00 0.00 H new ATOM 0 HB VAL B 104 21.067 9.597 7.254 1.00 0.00 H new ATOM 0 HG11 VAL B 104 21.666 9.015 9.570 1.00 0.00 H new ATOM 0 HG12 VAL B 104 20.527 10.381 9.505 1.00 0.00 H new ATOM 0 HG13 VAL B 104 19.945 8.758 9.946 1.00 0.00 H new ATOM 0 HG21 VAL B 104 21.621 7.267 7.828 1.00 0.00 H new ATOM 0 HG22 VAL B 104 19.899 6.937 8.129 1.00 0.00 H new ATOM 0 HG23 VAL B 104 20.451 7.359 6.491 1.00 0.00 H new TER 2037 VAL B 104