USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 986 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 113 THR OG1 : rot 32:sc= 0.345 USER MOD Set 1.2: A 118 SER OG : rot 38:sc= 0.466 USER MOD Set 2.1: A 99 HIS : no HD1:sc= 0.886 K(o=2.2,f=-4.1!) USER MOD Set 2.2: A 112 SER OG : rot -78:sc= 1.27 USER MOD Set 3.1: A 93 ASN : amide:sc= -0.61 K(o=-1.6,f=-6!) USER MOD Set 3.2: A 98 HIS : no HE2:sc= -0.962 X(o=-1.6,f=-1.3) USER MOD Set 4.1: A 46 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.29) USER MOD Set 4.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 64 THR OG1 : rot -73:sc= 0.00323 USER MOD Set 5.1: A 1 ALA N :NH3+ -128:sc= 1.12 (180deg=0) USER MOD Set 5.2: A 42 GLN : amide:sc= 0.803 K(o=1.9,f=-2.5) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 80:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.941 X(o=-0.94,f=-0.84) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.53) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00484 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.853 X(o=-0.85,f=-1.2) USER MOD Single : A 50 SER OG : rot 40:sc= 1.04 USER MOD Single : A 51 GLN : amide:sc= -0.0789 K(o=-0.079,f=-2.9!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.36) USER MOD Single : A 58 SER OG : rot 23:sc= 0.772 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.33) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -150:sc= -0.136 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -72:sc= 1.25 USER MOD Single : A 84 GLN : amide:sc= 0.789 K(o=0.79,f=-0.019) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 158:sc= 0.704 (180deg=0.472) USER MOD Single : A 94 SER OG : rot -83:sc= 1.23 USER MOD Single : A 96 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.45) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 160:sc= -0.889 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.181 -13.380 -8.032 1.00 0.00 N ATOM 2 CA ALA A 1 6.750 -13.557 -6.704 1.00 0.00 C ATOM 3 C ALA A 1 7.345 -12.248 -6.243 1.00 0.00 C ATOM 4 O ALA A 1 8.517 -12.200 -5.906 1.00 0.00 O ATOM 5 CB ALA A 1 7.787 -14.709 -6.727 1.00 0.00 C ATOM 0 H1 ALA A 1 5.198 -13.720 -8.037 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.199 -12.372 -8.286 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.738 -13.921 -8.723 1.00 0.00 H new ATOM 0 HA ALA A 1 5.977 -13.839 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.210 -14.838 -5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.298 -15.633 -7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.583 -14.468 -7.431 1.00 0.00 H new ATOM 11 N PHE A 2 6.533 -11.166 -6.227 1.00 0.00 N ATOM 12 CA PHE A 2 7.052 -9.870 -5.788 1.00 0.00 C ATOM 13 C PHE A 2 7.372 -10.004 -4.319 1.00 0.00 C ATOM 14 O PHE A 2 8.516 -9.794 -3.945 1.00 0.00 O ATOM 15 CB PHE A 2 6.049 -8.726 -6.099 1.00 0.00 C ATOM 16 CG PHE A 2 5.676 -8.593 -7.589 1.00 0.00 C ATOM 17 CD1 PHE A 2 6.298 -9.313 -8.620 1.00 0.00 C ATOM 18 CD2 PHE A 2 4.654 -7.697 -7.927 1.00 0.00 C ATOM 19 CE1 PHE A 2 5.887 -9.161 -9.947 1.00 0.00 C ATOM 20 CE2 PHE A 2 4.265 -7.517 -9.258 1.00 0.00 C ATOM 21 CZ PHE A 2 4.865 -8.269 -10.271 1.00 0.00 C ATOM 0 H PHE A 2 5.551 -11.170 -6.504 1.00 0.00 H new ATOM 0 HA PHE A 2 7.957 -9.597 -6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 2 5.139 -8.891 -5.523 1.00 0.00 H new ATOM 0 HB3 PHE A 2 6.476 -7.783 -5.758 1.00 0.00 H new ATOM 0 HD1 PHE A 2 7.104 -9.993 -8.385 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.159 -7.137 -7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.363 -9.738 -10.726 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.500 -6.796 -9.503 1.00 0.00 H new ATOM 0 HZ PHE A 2 4.540 -8.161 -11.295 1.00 0.00 H new ATOM 31 N THR A 3 6.382 -10.399 -3.487 1.00 0.00 N ATOM 32 CA THR A 3 6.681 -10.803 -2.116 1.00 0.00 C ATOM 33 C THR A 3 7.619 -9.853 -1.408 1.00 0.00 C ATOM 34 O THR A 3 8.774 -10.195 -1.197 1.00 0.00 O ATOM 35 CB THR A 3 7.178 -12.272 -2.198 1.00 0.00 C ATOM 36 OG1 THR A 3 6.250 -12.991 -3.032 1.00 0.00 O ATOM 37 CG2 THR A 3 7.250 -12.936 -0.795 1.00 0.00 C ATOM 0 H THR A 3 5.396 -10.443 -3.743 1.00 0.00 H new ATOM 0 HA THR A 3 5.793 -10.754 -1.485 1.00 0.00 H new ATOM 0 HB THR A 3 8.186 -12.293 -2.612 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.535 -13.926 -3.108 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.602 -13.963 -0.896 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.939 -12.377 -0.163 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.259 -12.935 -0.341 1.00 0.00 H new ATOM 45 N GLY A 4 7.142 -8.648 -1.020 1.00 0.00 N ATOM 46 CA GLY A 4 8.006 -7.742 -0.268 1.00 0.00 C ATOM 47 C GLY A 4 7.304 -6.473 0.151 1.00 0.00 C ATOM 48 O GLY A 4 6.152 -6.289 -0.208 1.00 0.00 O ATOM 0 H GLY A 4 6.202 -8.301 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.378 -8.255 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.874 -7.487 -0.876 1.00 0.00 H new ATOM 52 N LYS A 5 8.010 -5.593 0.902 1.00 0.00 N ATOM 53 CA LYS A 5 7.482 -4.266 1.213 1.00 0.00 C ATOM 54 C LYS A 5 8.157 -3.297 0.279 1.00 0.00 C ATOM 55 O LYS A 5 9.210 -3.640 -0.234 1.00 0.00 O ATOM 56 CB LYS A 5 7.781 -3.839 2.673 1.00 0.00 C ATOM 57 CG LYS A 5 7.053 -4.749 3.695 1.00 0.00 C ATOM 58 CD LYS A 5 7.497 -4.512 5.168 1.00 0.00 C ATOM 59 CE LYS A 5 7.267 -3.063 5.698 1.00 0.00 C ATOM 60 NZ LYS A 5 8.440 -2.165 5.553 1.00 0.00 N ATOM 0 H LYS A 5 8.932 -5.785 1.293 1.00 0.00 H new ATOM 0 HA LYS A 5 6.398 -4.278 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.856 -3.878 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.471 -2.805 2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.979 -4.582 3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.233 -5.792 3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.959 -5.208 5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.557 -4.751 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.421 -2.625 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.991 -3.114 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.205 -1.224 5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.245 -2.557 6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.693 -2.084 4.547 1.00 0.00 H new ATOM 74 N TYR A 6 7.570 -2.098 0.049 1.00 0.00 N ATOM 75 CA TYR A 6 8.180 -1.151 -0.876 1.00 0.00 C ATOM 76 C TYR A 6 7.845 0.257 -0.430 1.00 0.00 C ATOM 77 O TYR A 6 6.673 0.597 -0.467 1.00 0.00 O ATOM 78 CB TYR A 6 7.686 -1.448 -2.313 1.00 0.00 C ATOM 79 CG TYR A 6 7.866 -2.934 -2.656 1.00 0.00 C ATOM 80 CD1 TYR A 6 9.083 -3.407 -3.160 1.00 0.00 C ATOM 81 CD2 TYR A 6 6.809 -3.834 -2.469 1.00 0.00 C ATOM 82 CE1 TYR A 6 9.227 -4.750 -3.519 1.00 0.00 C ATOM 83 CE2 TYR A 6 6.943 -5.169 -2.859 1.00 0.00 C ATOM 84 CZ TYR A 6 8.150 -5.638 -3.380 1.00 0.00 C ATOM 85 OH TYR A 6 8.258 -6.982 -3.751 1.00 0.00 O ATOM 0 H TYR A 6 6.702 -1.783 0.483 1.00 0.00 H new ATOM 0 HA TYR A 6 9.265 -1.251 -0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.635 -1.174 -2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.239 -0.836 -3.026 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.917 -2.730 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.887 -3.495 -2.021 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.171 -5.105 -3.905 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.106 -5.844 -2.756 1.00 0.00 H new ATOM 0 HH TYR A 6 8.717 -7.481 -3.043 1.00 0.00 H new ATOM 95 N GLU A 7 8.829 1.083 -0.001 1.00 0.00 N ATOM 96 CA GLU A 7 8.509 2.427 0.484 1.00 0.00 C ATOM 97 C GLU A 7 8.391 3.373 -0.685 1.00 0.00 C ATOM 98 O GLU A 7 9.345 3.456 -1.443 1.00 0.00 O ATOM 99 CB GLU A 7 9.559 2.960 1.493 1.00 0.00 C ATOM 100 CG GLU A 7 9.280 4.436 1.886 1.00 0.00 C ATOM 101 CD GLU A 7 10.104 4.823 3.088 1.00 0.00 C ATOM 102 OE1 GLU A 7 11.352 4.922 2.944 1.00 0.00 O ATOM 103 OE2 GLU A 7 9.512 5.027 4.183 1.00 0.00 O ATOM 0 H GLU A 7 9.820 0.843 0.016 1.00 0.00 H new ATOM 0 HA GLU A 7 7.558 2.365 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.552 2.338 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.555 2.881 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.515 5.093 1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.220 4.567 2.106 1.00 0.00 H new ATOM 110 N ILE A 8 7.252 4.090 -0.851 1.00 0.00 N ATOM 111 CA ILE A 8 7.114 4.973 -2.008 1.00 0.00 C ATOM 112 C ILE A 8 8.060 6.138 -1.852 1.00 0.00 C ATOM 113 O ILE A 8 8.216 6.603 -0.735 1.00 0.00 O ATOM 114 CB ILE A 8 5.648 5.464 -2.250 1.00 0.00 C ATOM 115 CG1 ILE A 8 5.428 5.923 -3.724 1.00 0.00 C ATOM 116 CG2 ILE A 8 5.270 6.598 -1.256 1.00 0.00 C ATOM 117 CD1 ILE A 8 3.950 6.256 -4.067 1.00 0.00 C ATOM 0 H ILE A 8 6.451 4.070 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 8 7.372 4.395 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 8 4.988 4.616 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.042 6.803 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.778 5.138 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.246 6.922 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.350 6.228 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.948 7.441 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.880 6.567 -5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.332 5.372 -3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.600 7.063 -3.423 1.00 0.00 H new ATOM 129 N GLU A 9 8.686 6.616 -2.951 1.00 0.00 N ATOM 130 CA GLU A 9 9.546 7.798 -2.877 1.00 0.00 C ATOM 131 C GLU A 9 8.797 8.987 -3.429 1.00 0.00 C ATOM 132 O GLU A 9 8.657 9.966 -2.712 1.00 0.00 O ATOM 133 CB GLU A 9 10.866 7.548 -3.653 1.00 0.00 C ATOM 134 CG GLU A 9 11.772 8.805 -3.703 1.00 0.00 C ATOM 135 CD GLU A 9 13.077 8.458 -4.375 1.00 0.00 C ATOM 136 OE1 GLU A 9 13.108 8.432 -5.635 1.00 0.00 O ATOM 137 OE2 GLU A 9 14.077 8.204 -3.651 1.00 0.00 O ATOM 0 H GLU A 9 8.608 6.203 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 9 9.810 8.003 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.411 6.730 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.632 7.232 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.272 9.606 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.957 9.173 -2.694 1.00 0.00 H new ATOM 144 N SER A 10 8.321 8.914 -4.695 1.00 0.00 N ATOM 145 CA SER A 10 7.639 10.044 -5.322 1.00 0.00 C ATOM 146 C SER A 10 6.272 9.591 -5.782 1.00 0.00 C ATOM 147 O SER A 10 6.108 8.409 -6.044 1.00 0.00 O ATOM 148 CB SER A 10 8.508 10.559 -6.499 1.00 0.00 C ATOM 149 OG SER A 10 7.941 11.715 -7.138 1.00 0.00 O ATOM 0 H SER A 10 8.401 8.088 -5.288 1.00 0.00 H new ATOM 0 HA SER A 10 7.503 10.866 -4.619 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.504 10.804 -6.131 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.626 9.763 -7.234 1.00 0.00 H new ATOM 0 HG SER A 10 8.524 12.003 -7.871 1.00 0.00 H new ATOM 155 N GLU A 11 5.288 10.517 -5.865 1.00 0.00 N ATOM 156 CA GLU A 11 3.911 10.138 -6.176 1.00 0.00 C ATOM 157 C GLU A 11 3.393 11.190 -7.134 1.00 0.00 C ATOM 158 O GLU A 11 2.466 11.910 -6.804 1.00 0.00 O ATOM 159 CB GLU A 11 3.183 10.096 -4.801 1.00 0.00 C ATOM 160 CG GLU A 11 1.784 9.439 -4.876 1.00 0.00 C ATOM 161 CD GLU A 11 1.092 9.511 -3.539 1.00 0.00 C ATOM 162 OE1 GLU A 11 0.389 10.528 -3.287 1.00 0.00 O ATOM 163 OE2 GLU A 11 1.246 8.557 -2.728 1.00 0.00 O ATOM 0 H GLU A 11 5.430 11.517 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 11 3.773 9.171 -6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.798 9.547 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.081 11.112 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.180 9.942 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.881 8.398 -5.186 1.00 0.00 H new ATOM 170 N LYS A 12 4.029 11.315 -8.323 1.00 0.00 N ATOM 171 CA LYS A 12 3.764 12.468 -9.190 1.00 0.00 C ATOM 172 C LYS A 12 2.452 12.331 -9.931 1.00 0.00 C ATOM 173 O LYS A 12 2.050 11.210 -10.190 1.00 0.00 O ATOM 174 CB LYS A 12 4.943 12.675 -10.184 1.00 0.00 C ATOM 175 CG LYS A 12 4.817 13.975 -11.025 1.00 0.00 C ATOM 176 CD LYS A 12 6.085 14.226 -11.886 1.00 0.00 C ATOM 177 CE LYS A 12 5.951 15.529 -12.722 1.00 0.00 C ATOM 178 NZ LYS A 12 7.153 15.770 -13.552 1.00 0.00 N ATOM 0 H LYS A 12 4.709 10.648 -8.689 1.00 0.00 H new ATOM 0 HA LYS A 12 3.680 13.349 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.879 12.701 -9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.996 11.819 -10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.944 13.906 -11.674 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.654 14.824 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.959 14.295 -11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.248 13.379 -12.552 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.073 15.461 -13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.794 16.376 -12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.029 16.647 -14.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.987 15.859 -12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.289 14.973 -14.206 1.00 0.00 H new ATOM 192 N ASN A 13 1.781 13.458 -10.279 1.00 0.00 N ATOM 193 CA ASN A 13 0.517 13.401 -11.016 1.00 0.00 C ATOM 194 C ASN A 13 -0.481 12.548 -10.270 1.00 0.00 C ATOM 195 O ASN A 13 -1.107 11.676 -10.852 1.00 0.00 O ATOM 196 CB ASN A 13 0.715 12.991 -12.500 1.00 0.00 C ATOM 197 CG ASN A 13 -0.510 13.356 -13.311 1.00 0.00 C ATOM 198 OD1 ASN A 13 -0.481 14.359 -14.005 1.00 0.00 O ATOM 199 ND2 ASN A 13 -1.610 12.576 -13.240 1.00 0.00 N ATOM 0 H ASN A 13 2.099 14.402 -10.059 1.00 0.00 H new ATOM 0 HA ASN A 13 0.098 14.406 -11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.593 13.491 -12.909 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.898 11.919 -12.567 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.444 12.820 -13.775 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.607 11.743 -12.652 1.00 0.00 H new ATOM 206 N TYR A 14 -0.628 12.825 -8.957 1.00 0.00 N ATOM 207 CA TYR A 14 -1.668 12.181 -8.162 1.00 0.00 C ATOM 208 C TYR A 14 -2.882 13.077 -8.128 1.00 0.00 C ATOM 209 O TYR A 14 -3.974 12.544 -8.186 1.00 0.00 O ATOM 210 CB TYR A 14 -1.157 11.822 -6.739 1.00 0.00 C ATOM 211 CG TYR A 14 -1.132 13.013 -5.768 1.00 0.00 C ATOM 212 CD1 TYR A 14 -0.088 13.946 -5.795 1.00 0.00 C ATOM 213 CD2 TYR A 14 -2.160 13.182 -4.834 1.00 0.00 C ATOM 214 CE1 TYR A 14 -0.167 15.129 -5.056 1.00 0.00 C ATOM 215 CE2 TYR A 14 -2.177 14.312 -4.013 1.00 0.00 C ATOM 216 CZ TYR A 14 -1.252 15.341 -4.198 1.00 0.00 C ATOM 217 OH TYR A 14 -1.425 16.554 -3.524 1.00 0.00 O ATOM 0 H TYR A 14 -0.043 13.482 -8.441 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.947 11.235 -8.625 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.791 11.039 -6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.151 11.409 -6.818 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.789 13.749 -6.394 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.940 12.440 -4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.607 15.877 -5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.913 14.390 -3.227 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.236 16.511 -2.976 1.00 0.00 H new ATOM 227 N ASP A 15 -2.760 14.422 -8.035 1.00 0.00 N ATOM 228 CA ASP A 15 -3.963 15.244 -7.921 1.00 0.00 C ATOM 229 C ASP A 15 -4.926 15.019 -9.062 1.00 0.00 C ATOM 230 O ASP A 15 -6.091 14.767 -8.802 1.00 0.00 O ATOM 231 CB ASP A 15 -3.651 16.764 -7.879 1.00 0.00 C ATOM 232 CG ASP A 15 -4.932 17.549 -7.735 1.00 0.00 C ATOM 233 OD1 ASP A 15 -5.520 17.528 -6.620 1.00 0.00 O ATOM 234 OD2 ASP A 15 -5.366 18.186 -8.734 1.00 0.00 O ATOM 0 H ASP A 15 -1.877 14.933 -8.037 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.414 14.931 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.984 16.984 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.132 17.063 -8.790 1.00 0.00 H new ATOM 239 N GLU A 16 -4.479 15.124 -10.334 1.00 0.00 N ATOM 240 CA GLU A 16 -5.441 15.050 -11.434 1.00 0.00 C ATOM 241 C GLU A 16 -6.022 13.658 -11.467 1.00 0.00 C ATOM 242 O GLU A 16 -7.223 13.508 -11.632 1.00 0.00 O ATOM 243 CB GLU A 16 -4.839 15.357 -12.834 1.00 0.00 C ATOM 244 CG GLU A 16 -4.387 16.834 -13.008 1.00 0.00 C ATOM 245 CD GLU A 16 -3.228 17.212 -12.123 1.00 0.00 C ATOM 246 OE1 GLU A 16 -2.329 16.352 -11.912 1.00 0.00 O ATOM 247 OE2 GLU A 16 -3.202 18.371 -11.629 1.00 0.00 O ATOM 0 H GLU A 16 -3.505 15.254 -10.607 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.191 15.817 -11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.984 14.702 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.579 15.120 -13.598 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.110 17.001 -14.049 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.229 17.492 -12.793 1.00 0.00 H new ATOM 254 N PHE A 17 -5.170 12.623 -11.313 1.00 0.00 N ATOM 255 CA PHE A 17 -5.671 11.252 -11.379 1.00 0.00 C ATOM 256 C PHE A 17 -6.629 11.017 -10.239 1.00 0.00 C ATOM 257 O PHE A 17 -7.699 10.470 -10.450 1.00 0.00 O ATOM 258 CB PHE A 17 -4.488 10.252 -11.303 1.00 0.00 C ATOM 259 CG PHE A 17 -4.952 8.795 -11.454 1.00 0.00 C ATOM 260 CD1 PHE A 17 -5.475 8.105 -10.355 1.00 0.00 C ATOM 261 CD2 PHE A 17 -4.839 8.136 -12.685 1.00 0.00 C ATOM 262 CE1 PHE A 17 -5.854 6.765 -10.479 1.00 0.00 C ATOM 263 CE2 PHE A 17 -5.206 6.793 -12.807 1.00 0.00 C ATOM 264 CZ PHE A 17 -5.724 6.107 -11.706 1.00 0.00 C ATOM 0 H PHE A 17 -4.167 12.713 -11.148 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.193 11.099 -12.323 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.766 10.485 -12.086 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.974 10.371 -10.349 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.586 8.610 -9.407 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.465 8.670 -13.546 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.249 6.236 -9.624 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.089 6.285 -13.753 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.023 5.074 -11.802 1.00 0.00 H new ATOM 274 N MET A 18 -6.262 11.426 -9.008 1.00 0.00 N ATOM 275 CA MET A 18 -7.113 11.159 -7.858 1.00 0.00 C ATOM 276 C MET A 18 -8.380 11.987 -7.947 1.00 0.00 C ATOM 277 O MET A 18 -9.393 11.537 -7.436 1.00 0.00 O ATOM 278 CB MET A 18 -6.305 11.401 -6.551 1.00 0.00 C ATOM 279 CG MET A 18 -6.895 10.636 -5.345 1.00 0.00 C ATOM 280 SD MET A 18 -6.716 8.831 -5.577 1.00 0.00 S ATOM 281 CE MET A 18 -4.975 8.525 -5.130 1.00 0.00 C ATOM 0 H MET A 18 -5.400 11.930 -8.799 1.00 0.00 H new ATOM 0 HA MET A 18 -7.429 10.116 -7.848 1.00 0.00 H new ATOM 0 HB2 MET A 18 -5.271 11.092 -6.704 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.289 12.468 -6.329 1.00 0.00 H new ATOM 0 HG2 MET A 18 -6.388 10.942 -4.430 1.00 0.00 H new ATOM 0 HG3 MET A 18 -7.948 10.890 -5.226 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.754 7.463 -5.234 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.324 9.097 -5.791 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.805 8.832 -4.098 1.00 0.00 H new ATOM 291 N LYS A 19 -8.369 13.177 -8.599 1.00 0.00 N ATOM 292 CA LYS A 19 -9.617 13.914 -8.822 1.00 0.00 C ATOM 293 C LYS A 19 -10.497 13.169 -9.807 1.00 0.00 C ATOM 294 O LYS A 19 -11.705 13.209 -9.630 1.00 0.00 O ATOM 295 CB LYS A 19 -9.399 15.354 -9.379 1.00 0.00 C ATOM 296 CG LYS A 19 -8.848 16.353 -8.318 1.00 0.00 C ATOM 297 CD LYS A 19 -9.925 16.930 -7.346 1.00 0.00 C ATOM 298 CE LYS A 19 -10.565 18.274 -7.805 1.00 0.00 C ATOM 299 NZ LYS A 19 -11.321 18.205 -9.076 1.00 0.00 N ATOM 0 H LYS A 19 -7.531 13.628 -8.966 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.088 13.995 -7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.706 15.309 -10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.345 15.732 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.079 15.851 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.364 17.181 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.716 16.190 -7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.469 17.076 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.234 18.627 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.775 19.018 -7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.709 19.143 -9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.686 17.901 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.100 17.522 -8.980 1.00 0.00 H new ATOM 313 N ARG A 20 -9.951 12.483 -10.839 1.00 0.00 N ATOM 314 CA ARG A 20 -10.818 11.709 -11.734 1.00 0.00 C ATOM 315 C ARG A 20 -11.599 10.726 -10.892 1.00 0.00 C ATOM 316 O ARG A 20 -12.813 10.658 -10.998 1.00 0.00 O ATOM 317 CB ARG A 20 -10.033 10.899 -12.808 1.00 0.00 C ATOM 318 CG ARG A 20 -9.371 11.816 -13.871 1.00 0.00 C ATOM 319 CD ARG A 20 -10.357 12.184 -15.012 1.00 0.00 C ATOM 320 NE ARG A 20 -10.630 11.054 -15.907 1.00 0.00 N ATOM 321 CZ ARG A 20 -11.413 11.126 -16.961 1.00 0.00 C ATOM 322 NH1 ARG A 20 -12.042 12.225 -17.307 1.00 0.00 N ATOM 323 NH2 ARG A 20 -11.575 10.052 -17.701 1.00 0.00 N ATOM 0 H ARG A 20 -8.956 12.453 -11.060 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.456 12.418 -12.261 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.265 10.301 -12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.711 10.204 -13.303 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.013 12.728 -13.392 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.500 11.314 -14.292 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.294 12.534 -14.579 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.945 13.010 -15.591 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.186 10.159 -15.699 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.934 13.072 -16.749 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.639 12.232 -18.134 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.098 9.185 -17.453 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.178 10.085 -18.523 1.00 0.00 H new ATOM 337 N LEU A 21 -10.883 9.969 -10.036 1.00 0.00 N ATOM 338 CA LEU A 21 -11.559 9.055 -9.113 1.00 0.00 C ATOM 339 C LEU A 21 -12.500 9.857 -8.239 1.00 0.00 C ATOM 340 O LEU A 21 -13.579 9.366 -7.942 1.00 0.00 O ATOM 341 CB LEU A 21 -10.557 8.279 -8.215 1.00 0.00 C ATOM 342 CG LEU A 21 -9.924 7.039 -8.915 1.00 0.00 C ATOM 343 CD1 LEU A 21 -9.248 7.355 -10.278 1.00 0.00 C ATOM 344 CD2 LEU A 21 -8.885 6.395 -7.959 1.00 0.00 C ATOM 0 H LEU A 21 -9.865 9.975 -9.969 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.105 8.319 -9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.761 8.956 -7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.070 7.953 -7.310 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.743 6.354 -9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.833 6.439 -10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.988 7.767 -10.964 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.449 8.081 -10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.437 5.526 -8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.107 7.122 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.380 6.084 -7.039 1.00 0.00 H new ATOM 356 N ALA A 22 -12.099 11.083 -7.835 1.00 0.00 N ATOM 357 CA ALA A 22 -12.970 11.976 -7.072 1.00 0.00 C ATOM 358 C ALA A 22 -13.043 11.504 -5.643 1.00 0.00 C ATOM 359 O ALA A 22 -14.130 11.257 -5.145 1.00 0.00 O ATOM 360 CB ALA A 22 -14.360 12.204 -7.727 1.00 0.00 C ATOM 0 H ALA A 22 -11.175 11.468 -8.030 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.525 12.971 -7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.950 12.877 -7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.229 12.646 -8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.878 11.250 -7.822 1.00 0.00 H new ATOM 366 N LEU A 23 -11.871 11.400 -4.974 1.00 0.00 N ATOM 367 CA LEU A 23 -11.859 11.116 -3.540 1.00 0.00 C ATOM 368 C LEU A 23 -11.929 12.471 -2.869 1.00 0.00 C ATOM 369 O LEU A 23 -11.456 13.405 -3.498 1.00 0.00 O ATOM 370 CB LEU A 23 -10.580 10.330 -3.137 1.00 0.00 C ATOM 371 CG LEU A 23 -10.250 9.117 -4.057 1.00 0.00 C ATOM 372 CD1 LEU A 23 -9.097 8.294 -3.417 1.00 0.00 C ATOM 373 CD2 LEU A 23 -11.482 8.205 -4.298 1.00 0.00 C ATOM 0 H LEU A 23 -10.950 11.507 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.693 10.482 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.732 11.015 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.696 9.973 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.947 9.506 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.860 7.443 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.215 8.925 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.407 7.936 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.199 7.375 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.839 7.816 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.274 8.782 -4.774 1.00 0.00 H new ATOM 385 N PRO A 24 -12.493 12.686 -1.652 1.00 0.00 N ATOM 386 CA PRO A 24 -12.625 14.050 -1.156 1.00 0.00 C ATOM 387 C PRO A 24 -11.285 14.691 -0.884 1.00 0.00 C ATOM 388 O PRO A 24 -10.268 14.022 -0.967 1.00 0.00 O ATOM 389 CB PRO A 24 -13.482 13.822 0.113 1.00 0.00 C ATOM 390 CG PRO A 24 -13.159 12.365 0.517 1.00 0.00 C ATOM 391 CD PRO A 24 -13.054 11.620 -0.835 1.00 0.00 C ATOM 0 HA PRO A 24 -13.077 14.751 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.220 14.524 0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.544 13.954 -0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.228 12.303 1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.942 11.942 1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.405 10.746 -0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.022 11.277 -1.201 1.00 0.00 H new ATOM 399 N SER A 25 -11.277 16.009 -0.580 1.00 0.00 N ATOM 400 CA SER A 25 -10.011 16.729 -0.463 1.00 0.00 C ATOM 401 C SER A 25 -9.127 16.098 0.582 1.00 0.00 C ATOM 402 O SER A 25 -7.954 15.897 0.311 1.00 0.00 O ATOM 403 CB SER A 25 -10.213 18.224 -0.097 1.00 0.00 C ATOM 404 OG SER A 25 -8.951 18.895 0.057 1.00 0.00 O ATOM 0 H SER A 25 -12.112 16.572 -0.417 1.00 0.00 H new ATOM 0 HA SER A 25 -9.538 16.669 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.797 18.716 -0.875 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.784 18.301 0.828 1.00 0.00 H new ATOM 0 HG SER A 25 -9.106 19.835 0.286 1.00 0.00 H new ATOM 410 N ASP A 26 -9.661 15.778 1.782 1.00 0.00 N ATOM 411 CA ASP A 26 -8.806 15.178 2.804 1.00 0.00 C ATOM 412 C ASP A 26 -8.175 13.921 2.253 1.00 0.00 C ATOM 413 O ASP A 26 -6.971 13.774 2.378 1.00 0.00 O ATOM 414 CB ASP A 26 -9.567 14.860 4.120 1.00 0.00 C ATOM 415 CG ASP A 26 -10.675 13.867 3.887 1.00 0.00 C ATOM 416 OD1 ASP A 26 -11.681 14.247 3.228 1.00 0.00 O ATOM 417 OD2 ASP A 26 -10.550 12.700 4.349 1.00 0.00 O ATOM 0 H ASP A 26 -10.635 15.920 2.050 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.038 15.909 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.870 14.463 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.981 15.779 4.534 1.00 0.00 H new ATOM 422 N ALA A 27 -8.964 13.015 1.630 1.00 0.00 N ATOM 423 CA ALA A 27 -8.400 11.764 1.120 1.00 0.00 C ATOM 424 C ALA A 27 -7.263 12.057 0.169 1.00 0.00 C ATOM 425 O ALA A 27 -6.228 11.415 0.253 1.00 0.00 O ATOM 426 CB ALA A 27 -9.464 10.924 0.372 1.00 0.00 C ATOM 0 H ALA A 27 -9.966 13.130 1.476 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.041 11.196 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.010 10.003 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.280 10.682 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.852 11.496 -0.471 1.00 0.00 H new ATOM 432 N ILE A 28 -7.452 13.042 -0.738 1.00 0.00 N ATOM 433 CA ILE A 28 -6.387 13.401 -1.674 1.00 0.00 C ATOM 434 C ILE A 28 -5.184 13.821 -0.855 1.00 0.00 C ATOM 435 O ILE A 28 -4.087 13.355 -1.116 1.00 0.00 O ATOM 436 CB ILE A 28 -6.864 14.511 -2.668 1.00 0.00 C ATOM 437 CG1 ILE A 28 -7.948 13.931 -3.630 1.00 0.00 C ATOM 438 CG2 ILE A 28 -5.671 15.117 -3.459 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.658 14.999 -4.499 1.00 0.00 C ATOM 0 H ILE A 28 -8.311 13.584 -0.834 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.113 12.551 -2.299 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.308 15.323 -2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.481 13.196 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.696 13.402 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.038 15.885 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.960 15.560 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.177 14.331 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.396 14.515 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.156 15.721 -3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.922 15.513 -5.118 1.00 0.00 H new ATOM 451 N ASP A 29 -5.374 14.701 0.152 1.00 0.00 N ATOM 452 CA ASP A 29 -4.239 15.152 0.955 1.00 0.00 C ATOM 453 C ASP A 29 -3.572 14.003 1.679 1.00 0.00 C ATOM 454 O ASP A 29 -2.360 14.038 1.816 1.00 0.00 O ATOM 455 CB ASP A 29 -4.654 16.222 2.000 1.00 0.00 C ATOM 456 CG ASP A 29 -5.309 17.405 1.332 1.00 0.00 C ATOM 457 OD1 ASP A 29 -4.686 17.982 0.399 1.00 0.00 O ATOM 458 OD2 ASP A 29 -6.448 17.772 1.729 1.00 0.00 O ATOM 0 H ASP A 29 -6.276 15.097 0.415 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.534 15.594 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.341 15.782 2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.776 16.553 2.555 1.00 0.00 H new ATOM 463 N LYS A 30 -4.310 12.976 2.158 1.00 0.00 N ATOM 464 CA LYS A 30 -3.644 11.883 2.867 1.00 0.00 C ATOM 465 C LYS A 30 -2.673 11.216 1.918 1.00 0.00 C ATOM 466 O LYS A 30 -1.554 10.931 2.313 1.00 0.00 O ATOM 467 CB LYS A 30 -4.598 10.812 3.472 1.00 0.00 C ATOM 468 CG LYS A 30 -5.758 11.374 4.345 1.00 0.00 C ATOM 469 CD LYS A 30 -5.367 12.501 5.339 1.00 0.00 C ATOM 470 CE LYS A 30 -4.390 12.058 6.464 1.00 0.00 C ATOM 471 NZ LYS A 30 -4.946 11.011 7.355 1.00 0.00 N ATOM 0 H LYS A 30 -5.322 12.889 2.068 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.140 12.334 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.028 10.230 2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.008 10.125 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.536 11.753 3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.194 10.551 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.911 13.319 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.274 12.895 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.471 11.687 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.121 12.928 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.243 10.763 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.807 11.368 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.178 10.166 6.795 1.00 0.00 H new ATOM 485 N ALA A 31 -3.088 10.977 0.653 1.00 0.00 N ATOM 486 CA ALA A 31 -2.150 10.423 -0.326 1.00 0.00 C ATOM 487 C ALA A 31 -0.941 11.326 -0.430 1.00 0.00 C ATOM 488 O ALA A 31 0.172 10.827 -0.489 1.00 0.00 O ATOM 489 CB ALA A 31 -2.798 10.246 -1.724 1.00 0.00 C ATOM 0 H ALA A 31 -4.030 11.154 0.304 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.852 9.433 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.064 9.833 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.647 9.567 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.139 11.214 -2.092 1.00 0.00 H new ATOM 495 N ARG A 32 -1.146 12.663 -0.448 1.00 0.00 N ATOM 496 CA ARG A 32 -0.013 13.579 -0.572 1.00 0.00 C ATOM 497 C ARG A 32 0.928 13.409 0.599 1.00 0.00 C ATOM 498 O ARG A 32 2.056 12.983 0.404 1.00 0.00 O ATOM 499 CB ARG A 32 -0.496 15.059 -0.683 1.00 0.00 C ATOM 500 CG ARG A 32 0.575 16.078 -1.163 1.00 0.00 C ATOM 501 CD ARG A 32 1.781 16.286 -0.207 1.00 0.00 C ATOM 502 NE ARG A 32 2.600 17.433 -0.613 1.00 0.00 N ATOM 503 CZ ARG A 32 3.654 17.849 0.057 1.00 0.00 C ATOM 504 NH1 ARG A 32 4.080 17.263 1.153 1.00 0.00 N ATOM 505 NH2 ARG A 32 4.313 18.897 -0.386 1.00 0.00 N ATOM 0 H ARG A 32 -2.060 13.111 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 32 0.524 13.336 -1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.342 15.096 -1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.864 15.377 0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.954 15.750 -2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.089 17.041 -1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.418 16.439 0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.395 15.386 -0.194 1.00 0.00 H new ATOM 0 HE ARG A 32 2.339 17.936 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.588 16.448 1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.902 17.623 1.637 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.005 19.372 -1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.132 19.235 0.119 1.00 0.00 H new ATOM 519 N ASN A 33 0.485 13.772 1.824 1.00 0.00 N ATOM 520 CA ASN A 33 1.408 13.969 2.932 1.00 0.00 C ATOM 521 C ASN A 33 1.842 12.681 3.596 1.00 0.00 C ATOM 522 O ASN A 33 2.989 12.626 4.011 1.00 0.00 O ATOM 523 CB ASN A 33 0.880 15.035 3.938 1.00 0.00 C ATOM 524 CG ASN A 33 -0.548 14.801 4.365 1.00 0.00 C ATOM 525 OD1 ASN A 33 -1.427 15.540 3.949 1.00 0.00 O ATOM 526 ND2 ASN A 33 -0.815 13.773 5.191 1.00 0.00 N ATOM 0 H ASN A 33 -0.496 13.929 2.055 1.00 0.00 H new ATOM 0 HA ASN A 33 2.324 14.373 2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.519 15.039 4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.958 16.023 3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.774 13.593 5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.058 13.174 5.521 1.00 0.00 H new ATOM 533 N LEU A 34 0.988 11.637 3.719 1.00 0.00 N ATOM 534 CA LEU A 34 1.454 10.402 4.358 1.00 0.00 C ATOM 535 C LEU A 34 2.463 9.727 3.447 1.00 0.00 C ATOM 536 O LEU A 34 2.509 10.068 2.276 1.00 0.00 O ATOM 537 CB LEU A 34 0.302 9.449 4.794 1.00 0.00 C ATOM 538 CG LEU A 34 -0.693 10.059 5.830 1.00 0.00 C ATOM 539 CD1 LEU A 34 -1.804 9.026 6.179 1.00 0.00 C ATOM 540 CD2 LEU A 34 -0.005 10.506 7.152 1.00 0.00 C ATOM 0 H LEU A 34 0.020 11.629 3.399 1.00 0.00 H new ATOM 0 HA LEU A 34 1.941 10.668 5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.257 9.148 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.738 8.545 5.219 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.116 10.945 5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.492 9.463 6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.350 8.759 5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.349 8.132 6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.752 10.921 7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.473 9.647 7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.747 11.264 6.933 1.00 0.00 H new ATOM 552 N LYS A 35 3.289 8.794 3.984 1.00 0.00 N ATOM 553 CA LYS A 35 4.396 8.201 3.230 1.00 0.00 C ATOM 554 C LYS A 35 3.972 6.780 2.958 1.00 0.00 C ATOM 555 O LYS A 35 4.184 5.931 3.809 1.00 0.00 O ATOM 556 CB LYS A 35 5.697 8.268 4.085 1.00 0.00 C ATOM 557 CG LYS A 35 6.918 7.540 3.449 1.00 0.00 C ATOM 558 CD LYS A 35 7.314 8.016 2.022 1.00 0.00 C ATOM 559 CE LYS A 35 7.665 9.526 1.924 1.00 0.00 C ATOM 560 NZ LYS A 35 8.124 9.872 0.557 1.00 0.00 N ATOM 0 H LYS A 35 3.200 8.443 4.938 1.00 0.00 H new ATOM 0 HA LYS A 35 4.609 8.723 2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.957 9.314 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.498 7.832 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.778 7.667 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.702 6.472 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.170 7.434 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.492 7.801 1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.791 10.125 2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.443 9.771 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.353 10.886 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.971 9.315 0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.370 9.658 -0.127 1.00 0.00 H new ATOM 574 N ILE A 36 3.342 6.500 1.796 1.00 0.00 N ATOM 575 CA ILE A 36 2.721 5.191 1.626 1.00 0.00 C ATOM 576 C ILE A 36 3.786 4.119 1.675 1.00 0.00 C ATOM 577 O ILE A 36 4.784 4.270 0.990 1.00 0.00 O ATOM 578 CB ILE A 36 1.835 5.036 0.353 1.00 0.00 C ATOM 579 CG1 ILE A 36 0.673 6.080 0.346 1.00 0.00 C ATOM 580 CG2 ILE A 36 1.275 3.587 0.272 1.00 0.00 C ATOM 581 CD1 ILE A 36 -0.215 6.009 -0.924 1.00 0.00 C ATOM 0 H ILE A 36 3.257 7.136 1.003 1.00 0.00 H new ATOM 0 HA ILE A 36 2.023 5.081 2.456 1.00 0.00 H new ATOM 0 HB ILE A 36 2.453 5.225 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.049 5.923 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.095 7.082 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.657 3.485 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.103 2.879 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.673 3.380 1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.001 6.762 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.397 6.196 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.666 5.019 -0.998 1.00 0.00 H new ATOM 593 N ILE A 37 3.578 3.032 2.458 1.00 0.00 N ATOM 594 CA ILE A 37 4.483 1.890 2.413 1.00 0.00 C ATOM 595 C ILE A 37 3.742 0.870 1.584 1.00 0.00 C ATOM 596 O ILE A 37 2.870 0.206 2.121 1.00 0.00 O ATOM 597 CB ILE A 37 4.830 1.361 3.834 1.00 0.00 C ATOM 598 CG1 ILE A 37 5.295 2.503 4.791 1.00 0.00 C ATOM 599 CG2 ILE A 37 5.870 0.207 3.735 1.00 0.00 C ATOM 600 CD1 ILE A 37 6.495 3.343 4.279 1.00 0.00 C ATOM 0 H ILE A 37 2.802 2.936 3.113 1.00 0.00 H new ATOM 0 HA ILE A 37 5.452 2.144 1.982 1.00 0.00 H new ATOM 0 HB ILE A 37 3.921 0.957 4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.453 3.172 4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.563 2.064 5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.106 -0.157 4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.454 -0.607 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.779 0.576 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.742 4.110 5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.357 2.693 4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.230 3.818 3.334 1.00 0.00 H new ATOM 612 N SER A 38 4.048 0.735 0.273 1.00 0.00 N ATOM 613 CA SER A 38 3.299 -0.221 -0.533 1.00 0.00 C ATOM 614 C SER A 38 3.750 -1.594 -0.126 1.00 0.00 C ATOM 615 O SER A 38 4.866 -1.723 0.350 1.00 0.00 O ATOM 616 CB SER A 38 3.424 -0.003 -2.060 1.00 0.00 C ATOM 617 OG SER A 38 2.684 -1.033 -2.740 1.00 0.00 O ATOM 0 H SER A 38 4.775 1.254 -0.219 1.00 0.00 H new ATOM 0 HA SER A 38 2.235 -0.081 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.040 0.980 -2.333 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.471 -0.031 -2.360 1.00 0.00 H new ATOM 0 HG SER A 38 2.756 -0.902 -3.709 1.00 0.00 H new ATOM 623 N GLU A 39 2.890 -2.624 -0.284 1.00 0.00 N ATOM 624 CA GLU A 39 3.260 -3.953 0.185 1.00 0.00 C ATOM 625 C GLU A 39 2.520 -5.002 -0.602 1.00 0.00 C ATOM 626 O GLU A 39 1.381 -4.753 -0.960 1.00 0.00 O ATOM 627 CB GLU A 39 2.975 -4.058 1.707 1.00 0.00 C ATOM 628 CG GLU A 39 3.287 -5.463 2.296 1.00 0.00 C ATOM 629 CD GLU A 39 2.334 -6.543 1.850 1.00 0.00 C ATOM 630 OE1 GLU A 39 1.122 -6.248 1.664 1.00 0.00 O ATOM 631 OE2 GLU A 39 2.788 -7.708 1.684 1.00 0.00 O ATOM 0 H GLU A 39 1.970 -2.555 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 39 4.325 -4.122 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.569 -3.311 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.927 -3.819 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.300 -5.747 2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.266 -5.402 3.384 1.00 0.00 H new ATOM 638 N VAL A 40 3.162 -6.162 -0.879 1.00 0.00 N ATOM 639 CA VAL A 40 2.513 -7.203 -1.666 1.00 0.00 C ATOM 640 C VAL A 40 2.928 -8.538 -1.108 1.00 0.00 C ATOM 641 O VAL A 40 4.081 -8.643 -0.722 1.00 0.00 O ATOM 642 CB VAL A 40 2.976 -7.120 -3.150 1.00 0.00 C ATOM 643 CG1 VAL A 40 2.217 -8.146 -4.039 1.00 0.00 C ATOM 644 CG2 VAL A 40 2.803 -5.678 -3.699 1.00 0.00 C ATOM 0 H VAL A 40 4.108 -6.385 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 40 1.431 -7.076 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 40 4.035 -7.375 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.564 -8.062 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.407 -9.155 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.147 -7.941 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.132 -5.642 -4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.753 -5.390 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.402 -4.988 -3.104 1.00 0.00 H new ATOM 654 N LYS A 41 2.033 -9.555 -1.080 1.00 0.00 N ATOM 655 CA LYS A 41 2.486 -10.908 -0.766 1.00 0.00 C ATOM 656 C LYS A 41 1.878 -11.842 -1.787 1.00 0.00 C ATOM 657 O LYS A 41 0.663 -11.833 -1.916 1.00 0.00 O ATOM 658 CB LYS A 41 2.300 -11.336 0.715 1.00 0.00 C ATOM 659 CG LYS A 41 0.824 -11.379 1.179 1.00 0.00 C ATOM 660 CD LYS A 41 0.727 -11.791 2.674 1.00 0.00 C ATOM 661 CE LYS A 41 -0.747 -11.877 3.151 1.00 0.00 C ATOM 662 NZ LYS A 41 -0.829 -12.272 4.577 1.00 0.00 N ATOM 0 H LYS A 41 1.034 -9.460 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 41 3.572 -10.950 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.743 -12.322 0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.851 -10.645 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.365 -10.401 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.266 -12.086 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.213 -12.756 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.266 -11.068 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.234 -10.912 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.288 -12.599 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.827 -12.321 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.385 -13.204 4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.333 -11.569 5.161 1.00 0.00 H new ATOM 676 N GLN A 42 2.698 -12.623 -2.534 1.00 0.00 N ATOM 677 CA GLN A 42 2.132 -13.534 -3.521 1.00 0.00 C ATOM 678 C GLN A 42 1.751 -14.782 -2.768 1.00 0.00 C ATOM 679 O GLN A 42 2.469 -15.124 -1.841 1.00 0.00 O ATOM 680 CB GLN A 42 3.137 -13.877 -4.656 1.00 0.00 C ATOM 681 CG GLN A 42 2.452 -14.634 -5.825 1.00 0.00 C ATOM 682 CD GLN A 42 3.465 -15.081 -6.851 1.00 0.00 C ATOM 683 OE1 GLN A 42 3.571 -14.462 -7.898 1.00 0.00 O ATOM 684 NE2 GLN A 42 4.227 -16.160 -6.571 1.00 0.00 N ATOM 0 H GLN A 42 3.716 -12.632 -2.466 1.00 0.00 H new ATOM 0 HA GLN A 42 1.276 -13.070 -4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.587 -12.958 -5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.946 -14.486 -4.253 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.916 -15.500 -5.437 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.713 -13.987 -6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.109 -16.651 -5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.920 -16.484 -7.246 1.00 0.00 H new ATOM 693 N ASP A 43 0.644 -15.464 -3.139 1.00 0.00 N ATOM 694 CA ASP A 43 0.247 -16.676 -2.425 1.00 0.00 C ATOM 695 C ASP A 43 -0.107 -17.762 -3.416 1.00 0.00 C ATOM 696 O ASP A 43 -1.234 -18.233 -3.420 1.00 0.00 O ATOM 697 CB ASP A 43 -0.892 -16.315 -1.436 1.00 0.00 C ATOM 698 CG ASP A 43 -0.491 -15.120 -0.609 1.00 0.00 C ATOM 699 OD1 ASP A 43 0.283 -15.301 0.368 1.00 0.00 O ATOM 700 OD2 ASP A 43 -0.942 -13.987 -0.935 1.00 0.00 O ATOM 0 H ASP A 43 0.031 -15.197 -3.909 1.00 0.00 H new ATOM 0 HA ASP A 43 1.066 -17.080 -1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.808 -16.098 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.104 -17.164 -0.786 1.00 0.00 H new ATOM 705 N GLY A 44 0.866 -18.178 -4.263 1.00 0.00 N ATOM 706 CA GLY A 44 0.610 -19.260 -5.211 1.00 0.00 C ATOM 707 C GLY A 44 -0.423 -18.819 -6.217 1.00 0.00 C ATOM 708 O GLY A 44 -1.584 -19.158 -6.046 1.00 0.00 O ATOM 0 H GLY A 44 1.807 -17.786 -4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.533 -19.536 -5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.261 -20.146 -4.681 1.00 0.00 H new ATOM 712 N GLN A 45 -0.025 -18.050 -7.258 1.00 0.00 N ATOM 713 CA GLN A 45 -1.010 -17.521 -8.202 1.00 0.00 C ATOM 714 C GLN A 45 -2.082 -16.814 -7.413 1.00 0.00 C ATOM 715 O GLN A 45 -3.247 -17.156 -7.521 1.00 0.00 O ATOM 716 CB GLN A 45 -1.590 -18.592 -9.166 1.00 0.00 C ATOM 717 CG GLN A 45 -0.550 -19.001 -10.239 1.00 0.00 C ATOM 718 CD GLN A 45 0.681 -19.604 -9.604 1.00 0.00 C ATOM 719 OE1 GLN A 45 0.533 -20.496 -8.782 1.00 0.00 O ATOM 720 NE2 GLN A 45 1.908 -19.154 -9.953 1.00 0.00 N ATOM 0 H GLN A 45 0.943 -17.794 -7.454 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.511 -16.815 -8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.894 -19.471 -8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.484 -18.202 -9.652 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.996 -19.719 -10.927 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.268 -18.128 -10.828 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.001 -18.408 -10.642 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.741 -19.561 -9.527 1.00 0.00 H new ATOM 729 N ASN A 46 -1.663 -15.806 -6.619 1.00 0.00 N ATOM 730 CA ASN A 46 -2.615 -14.917 -5.958 1.00 0.00 C ATOM 731 C ASN A 46 -1.825 -13.744 -5.446 1.00 0.00 C ATOM 732 O ASN A 46 -0.670 -13.959 -5.120 1.00 0.00 O ATOM 733 CB ASN A 46 -3.410 -15.592 -4.814 1.00 0.00 C ATOM 734 CG ASN A 46 -4.241 -14.571 -4.069 1.00 0.00 C ATOM 735 OD1 ASN A 46 -5.426 -14.466 -4.344 1.00 0.00 O ATOM 736 ND2 ASN A 46 -3.653 -13.793 -3.130 1.00 0.00 N ATOM 0 H ASN A 46 -0.683 -15.597 -6.428 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.376 -14.613 -6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.058 -16.368 -5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.722 -16.081 -4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.202 -13.095 -2.629 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.661 -13.905 -2.923 1.00 0.00 H new ATOM 743 N PHE A 47 -2.395 -12.523 -5.401 1.00 0.00 N ATOM 744 CA PHE A 47 -1.603 -11.349 -5.049 1.00 0.00 C ATOM 745 C PHE A 47 -2.396 -10.554 -4.045 1.00 0.00 C ATOM 746 O PHE A 47 -3.187 -9.711 -4.441 1.00 0.00 O ATOM 747 CB PHE A 47 -1.339 -10.505 -6.325 1.00 0.00 C ATOM 748 CG PHE A 47 -0.287 -11.156 -7.237 1.00 0.00 C ATOM 749 CD1 PHE A 47 -0.564 -12.371 -7.874 1.00 0.00 C ATOM 750 CD2 PHE A 47 0.958 -10.548 -7.448 1.00 0.00 C ATOM 751 CE1 PHE A 47 0.442 -13.041 -8.573 1.00 0.00 C ATOM 752 CE2 PHE A 47 1.900 -11.135 -8.296 1.00 0.00 C ATOM 753 CZ PHE A 47 1.629 -12.375 -8.881 1.00 0.00 C ATOM 0 H PHE A 47 -3.378 -12.336 -5.600 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.641 -11.635 -4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.271 -10.381 -6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.003 -9.509 -6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.558 -12.791 -7.825 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.191 -9.618 -6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.302 -14.069 -8.874 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.834 -10.633 -8.499 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.335 -12.816 -9.569 1.00 0.00 H new ATOM 763 N THR A 48 -2.177 -10.811 -2.736 1.00 0.00 N ATOM 764 CA THR A 48 -2.797 -9.961 -1.731 1.00 0.00 C ATOM 765 C THR A 48 -2.005 -8.673 -1.798 1.00 0.00 C ATOM 766 O THR A 48 -0.971 -8.574 -1.156 1.00 0.00 O ATOM 767 CB THR A 48 -2.754 -10.649 -0.344 1.00 0.00 C ATOM 768 OG1 THR A 48 -3.495 -11.877 -0.446 1.00 0.00 O ATOM 769 CG2 THR A 48 -3.351 -9.732 0.757 1.00 0.00 C ATOM 0 H THR A 48 -1.599 -11.570 -2.375 1.00 0.00 H new ATOM 0 HA THR A 48 -3.856 -9.769 -1.905 1.00 0.00 H new ATOM 0 HB THR A 48 -1.722 -10.850 -0.058 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.485 -12.338 0.419 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.307 -10.242 1.719 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.777 -8.807 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.389 -9.502 0.516 1.00 0.00 H new ATOM 777 N TRP A 49 -2.478 -7.695 -2.608 1.00 0.00 N ATOM 778 CA TRP A 49 -1.735 -6.454 -2.805 1.00 0.00 C ATOM 779 C TRP A 49 -2.176 -5.455 -1.772 1.00 0.00 C ATOM 780 O TRP A 49 -3.293 -5.584 -1.295 1.00 0.00 O ATOM 781 CB TRP A 49 -2.042 -5.892 -4.217 1.00 0.00 C ATOM 782 CG TRP A 49 -1.079 -4.827 -4.655 1.00 0.00 C ATOM 783 CD1 TRP A 49 -1.011 -3.528 -4.319 1.00 0.00 C ATOM 784 CD2 TRP A 49 0.037 -5.084 -5.626 1.00 0.00 C ATOM 785 NE1 TRP A 49 0.004 -2.972 -4.934 1.00 0.00 N ATOM 786 CE2 TRP A 49 0.658 -3.855 -5.717 1.00 0.00 C ATOM 787 CE3 TRP A 49 0.456 -6.202 -6.335 1.00 0.00 C ATOM 788 CZ2 TRP A 49 1.781 -3.674 -6.525 1.00 0.00 C ATOM 789 CZ3 TRP A 49 1.524 -6.008 -7.213 1.00 0.00 C ATOM 790 CH2 TRP A 49 2.211 -4.783 -7.269 1.00 0.00 C ATOM 0 H TRP A 49 -3.357 -7.751 -3.122 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.666 -6.643 -2.710 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -2.022 -6.709 -4.938 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.053 -5.484 -4.226 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.687 -3.021 -3.647 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.267 -1.992 -4.833 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.017 -7.165 -6.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.295 -2.725 -6.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.828 -6.816 -7.862 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.086 -4.694 -7.896 1.00 0.00 H new ATOM 801 N SER A 50 -1.334 -4.452 -1.428 1.00 0.00 N ATOM 802 CA SER A 50 -1.787 -3.427 -0.492 1.00 0.00 C ATOM 803 C SER A 50 -1.062 -2.110 -0.653 1.00 0.00 C ATOM 804 O SER A 50 0.076 -2.112 -1.095 1.00 0.00 O ATOM 805 CB SER A 50 -1.614 -3.943 0.958 1.00 0.00 C ATOM 806 OG SER A 50 -2.074 -2.987 1.925 1.00 0.00 O ATOM 0 H SER A 50 -0.381 -4.341 -1.773 1.00 0.00 H new ATOM 0 HA SER A 50 -2.837 -3.236 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.165 -4.876 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.563 -4.167 1.141 1.00 0.00 H new ATOM 0 HG SER A 50 -2.893 -2.560 1.599 1.00 0.00 H new ATOM 812 N GLN A 51 -1.731 -0.989 -0.286 1.00 0.00 N ATOM 813 CA GLN A 51 -1.108 0.334 -0.308 1.00 0.00 C ATOM 814 C GLN A 51 -1.358 0.884 1.079 1.00 0.00 C ATOM 815 O GLN A 51 -2.451 1.373 1.319 1.00 0.00 O ATOM 816 CB GLN A 51 -1.732 1.186 -1.445 1.00 0.00 C ATOM 817 CG GLN A 51 -1.361 0.604 -2.836 1.00 0.00 C ATOM 818 CD GLN A 51 -1.997 1.423 -3.935 1.00 0.00 C ATOM 819 OE1 GLN A 51 -1.302 2.195 -4.577 1.00 0.00 O ATOM 820 NE2 GLN A 51 -3.322 1.278 -4.167 1.00 0.00 N ATOM 0 H GLN A 51 -2.702 -0.987 0.027 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.039 0.325 -0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.816 1.212 -1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.380 2.215 -1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.278 0.598 -2.958 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.695 -0.431 -2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.869 0.622 -3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.774 1.824 -4.900 1.00 0.00 H new ATOM 829 N GLN A 52 -0.378 0.765 2.007 1.00 0.00 N ATOM 830 CA GLN A 52 -0.650 1.034 3.419 1.00 0.00 C ATOM 831 C GLN A 52 -0.217 2.443 3.734 1.00 0.00 C ATOM 832 O GLN A 52 0.963 2.714 3.580 1.00 0.00 O ATOM 833 CB GLN A 52 0.121 0.028 4.320 1.00 0.00 C ATOM 834 CG GLN A 52 -0.232 -1.442 3.962 1.00 0.00 C ATOM 835 CD GLN A 52 0.609 -2.406 4.768 1.00 0.00 C ATOM 836 OE1 GLN A 52 1.820 -2.382 4.614 1.00 0.00 O ATOM 837 NE2 GLN A 52 0.016 -3.267 5.626 1.00 0.00 N ATOM 0 H GLN A 52 0.582 0.491 1.800 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.716 0.920 3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.194 0.184 4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.119 0.217 5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.289 -1.625 4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.069 -1.611 2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.998 -3.263 5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.583 -3.920 6.166 1.00 0.00 H new ATOM 846 N TYR A 53 -1.130 3.347 4.165 1.00 0.00 N ATOM 847 CA TYR A 53 -0.732 4.721 4.437 1.00 0.00 C ATOM 848 C TYR A 53 -0.442 4.738 5.924 1.00 0.00 C ATOM 849 O TYR A 53 -1.376 4.385 6.626 1.00 0.00 O ATOM 850 CB TYR A 53 -1.833 5.776 4.129 1.00 0.00 C ATOM 851 CG TYR A 53 -2.375 5.871 2.686 1.00 0.00 C ATOM 852 CD1 TYR A 53 -2.379 4.802 1.780 1.00 0.00 C ATOM 853 CD2 TYR A 53 -2.910 7.094 2.257 1.00 0.00 C ATOM 854 CE1 TYR A 53 -3.010 4.910 0.538 1.00 0.00 C ATOM 855 CE2 TYR A 53 -3.527 7.214 1.009 1.00 0.00 C ATOM 856 CZ TYR A 53 -3.579 6.124 0.138 1.00 0.00 C ATOM 857 OH TYR A 53 -4.193 6.267 -1.110 1.00 0.00 O ATOM 0 H TYR A 53 -2.117 3.144 4.324 1.00 0.00 H new ATOM 0 HA TYR A 53 0.110 4.992 3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.678 5.577 4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.440 6.756 4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.886 3.879 2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.844 7.958 2.902 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.059 4.052 -0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.967 8.156 0.716 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.530 7.182 -1.206 1.00 0.00 H new ATOM 867 N PRO A 54 0.752 5.104 6.460 1.00 0.00 N ATOM 868 CA PRO A 54 0.949 5.148 7.906 1.00 0.00 C ATOM 869 C PRO A 54 -0.236 5.615 8.725 1.00 0.00 C ATOM 870 O PRO A 54 -0.359 6.800 8.992 1.00 0.00 O ATOM 871 CB PRO A 54 2.155 6.119 7.940 1.00 0.00 C ATOM 872 CG PRO A 54 2.984 5.671 6.715 1.00 0.00 C ATOM 873 CD PRO A 54 1.905 5.431 5.632 1.00 0.00 C ATOM 0 HA PRO A 54 1.099 4.172 8.367 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.840 7.159 7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.721 6.030 8.867 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.699 6.436 6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.555 4.766 6.923 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.734 6.314 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.172 4.618 4.956 1.00 0.00 H new ATOM 881 N GLY A 55 -1.118 4.674 9.138 1.00 0.00 N ATOM 882 CA GLY A 55 -2.281 5.038 9.941 1.00 0.00 C ATOM 883 C GLY A 55 -3.364 5.648 9.082 1.00 0.00 C ATOM 884 O GLY A 55 -3.041 6.288 8.094 1.00 0.00 O ATOM 0 H GLY A 55 -1.039 3.679 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.669 4.154 10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.985 5.745 10.716 1.00 0.00 H new ATOM 888 N GLY A 56 -4.654 5.484 9.462 1.00 0.00 N ATOM 889 CA GLY A 56 -5.731 6.161 8.743 1.00 0.00 C ATOM 890 C GLY A 56 -6.178 5.398 7.518 1.00 0.00 C ATOM 891 O GLY A 56 -7.145 4.658 7.611 1.00 0.00 O ATOM 0 H GLY A 56 -4.957 4.902 10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.581 6.297 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.396 7.155 8.446 1.00 0.00 H new ATOM 895 N HIS A 57 -5.499 5.585 6.361 1.00 0.00 N ATOM 896 CA HIS A 57 -6.009 5.069 5.088 1.00 0.00 C ATOM 897 C HIS A 57 -5.232 3.843 4.663 1.00 0.00 C ATOM 898 O HIS A 57 -4.371 3.945 3.805 1.00 0.00 O ATOM 899 CB HIS A 57 -5.978 6.209 4.028 1.00 0.00 C ATOM 900 CG HIS A 57 -7.070 7.220 4.285 1.00 0.00 C ATOM 901 ND1 HIS A 57 -7.155 7.961 5.371 1.00 0.00 N ATOM 902 CD2 HIS A 57 -8.094 7.497 3.451 1.00 0.00 C ATOM 903 CE1 HIS A 57 -8.202 8.722 5.303 1.00 0.00 C ATOM 904 NE2 HIS A 57 -8.784 8.500 4.214 1.00 0.00 N ATOM 0 H HIS A 57 -4.611 6.083 6.292 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.045 4.747 5.197 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.007 6.704 4.050 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.097 5.786 3.031 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.329 7.082 2.482 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.520 9.428 6.056 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.636 8.970 3.910 1.00 0.00 H new ATOM 913 N SER A 58 -5.555 2.666 5.249 1.00 0.00 N ATOM 914 CA SER A 58 -4.938 1.412 4.813 1.00 0.00 C ATOM 915 C SER A 58 -5.793 0.816 3.717 1.00 0.00 C ATOM 916 O SER A 58 -6.949 0.541 3.994 1.00 0.00 O ATOM 917 CB SER A 58 -4.822 0.429 6.005 1.00 0.00 C ATOM 918 OG SER A 58 -6.128 0.199 6.559 1.00 0.00 O ATOM 0 H SER A 58 -6.227 2.569 6.010 1.00 0.00 H new ATOM 0 HA SER A 58 -3.933 1.601 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.384 -0.512 5.674 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.158 0.839 6.766 1.00 0.00 H new ATOM 0 HG SER A 58 -6.809 0.390 5.881 1.00 0.00 H new ATOM 924 N ILE A 59 -5.265 0.626 2.480 1.00 0.00 N ATOM 925 CA ILE A 59 -6.068 0.082 1.379 1.00 0.00 C ATOM 926 C ILE A 59 -5.601 -1.329 1.104 1.00 0.00 C ATOM 927 O ILE A 59 -4.421 -1.589 1.282 1.00 0.00 O ATOM 928 CB ILE A 59 -5.910 0.935 0.080 1.00 0.00 C ATOM 929 CG1 ILE A 59 -6.662 2.296 0.163 1.00 0.00 C ATOM 930 CG2 ILE A 59 -6.392 0.182 -1.196 1.00 0.00 C ATOM 931 CD1 ILE A 59 -6.209 3.212 1.326 1.00 0.00 C ATOM 0 H ILE A 59 -4.299 0.841 2.232 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.119 0.100 1.668 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.839 1.121 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.525 2.830 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.729 2.101 0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.259 0.822 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.808 -0.730 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.446 -0.074 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.786 4.137 1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.373 2.702 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.149 3.443 1.216 1.00 0.00 H new ATOM 943 N THR A 60 -6.506 -2.227 0.638 1.00 0.00 N ATOM 944 CA THR A 60 -6.104 -3.548 0.157 1.00 0.00 C ATOM 945 C THR A 60 -6.654 -3.724 -1.241 1.00 0.00 C ATOM 946 O THR A 60 -7.674 -3.124 -1.537 1.00 0.00 O ATOM 947 CB THR A 60 -6.635 -4.641 1.124 1.00 0.00 C ATOM 948 OG1 THR A 60 -6.169 -4.377 2.458 1.00 0.00 O ATOM 949 CG2 THR A 60 -6.236 -6.078 0.688 1.00 0.00 C ATOM 0 H THR A 60 -7.509 -2.050 0.590 1.00 0.00 H new ATOM 0 HA THR A 60 -5.018 -3.640 0.127 1.00 0.00 H new ATOM 0 HB THR A 60 -7.724 -4.597 1.095 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.507 -5.068 3.065 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.635 -6.799 1.402 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.643 -6.284 -0.302 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.150 -6.161 0.658 1.00 0.00 H new ATOM 957 N ASN A 61 -6.001 -4.535 -2.108 1.00 0.00 N ATOM 958 CA ASN A 61 -6.527 -4.776 -3.450 1.00 0.00 C ATOM 959 C ASN A 61 -6.231 -6.215 -3.795 1.00 0.00 C ATOM 960 O ASN A 61 -5.342 -6.483 -4.587 1.00 0.00 O ATOM 961 CB ASN A 61 -5.894 -3.789 -4.465 1.00 0.00 C ATOM 962 CG ASN A 61 -6.334 -2.368 -4.215 1.00 0.00 C ATOM 963 OD1 ASN A 61 -5.525 -1.565 -3.776 1.00 0.00 O ATOM 964 ND2 ASN A 61 -7.611 -2.028 -4.493 1.00 0.00 N ATOM 0 H ASN A 61 -5.128 -5.019 -1.898 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.603 -4.606 -3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.808 -3.849 -4.401 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.171 -4.082 -5.478 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.930 -1.072 -4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.257 -2.728 -4.859 1.00 0.00 H new ATOM 971 N THR A 62 -6.974 -7.167 -3.190 1.00 0.00 N ATOM 972 CA THR A 62 -6.692 -8.570 -3.462 1.00 0.00 C ATOM 973 C THR A 62 -6.986 -8.849 -4.915 1.00 0.00 C ATOM 974 O THR A 62 -8.052 -8.461 -5.364 1.00 0.00 O ATOM 975 CB THR A 62 -7.521 -9.523 -2.560 1.00 0.00 C ATOM 976 OG1 THR A 62 -7.386 -9.141 -1.181 1.00 0.00 O ATOM 977 CG2 THR A 62 -7.113 -11.008 -2.762 1.00 0.00 C ATOM 0 H THR A 62 -7.739 -6.990 -2.539 1.00 0.00 H new ATOM 0 HA THR A 62 -5.641 -8.757 -3.240 1.00 0.00 H new ATOM 0 HB THR A 62 -8.567 -9.433 -2.852 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.914 -9.747 -0.620 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.716 -11.643 -2.113 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.277 -11.292 -3.801 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.059 -11.133 -2.514 1.00 0.00 H new ATOM 985 N PHE A 63 -6.072 -9.518 -5.657 1.00 0.00 N ATOM 986 CA PHE A 63 -6.382 -9.882 -7.039 1.00 0.00 C ATOM 987 C PHE A 63 -5.637 -11.141 -7.410 1.00 0.00 C ATOM 988 O PHE A 63 -4.752 -11.533 -6.668 1.00 0.00 O ATOM 989 CB PHE A 63 -6.145 -8.694 -8.010 1.00 0.00 C ATOM 990 CG PHE A 63 -4.664 -8.308 -8.138 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.786 -9.146 -8.836 1.00 0.00 C ATOM 992 CD2 PHE A 63 -4.172 -7.118 -7.586 1.00 0.00 C ATOM 993 CE1 PHE A 63 -2.435 -8.814 -8.964 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.828 -6.768 -7.737 1.00 0.00 C ATOM 995 CZ PHE A 63 -1.959 -7.613 -8.434 1.00 0.00 C ATOM 0 H PHE A 63 -5.150 -9.803 -5.328 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.445 -10.105 -7.130 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.533 -8.954 -8.995 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.711 -7.830 -7.662 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.157 -10.058 -9.280 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.837 -6.466 -7.039 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.759 -9.486 -9.472 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.460 -5.844 -7.315 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.923 -7.338 -8.562 1.00 0.00 H new ATOM 1005 N THR A 64 -6.010 -11.784 -8.541 1.00 0.00 N ATOM 1006 CA THR A 64 -5.431 -13.078 -8.902 1.00 0.00 C ATOM 1007 C THR A 64 -5.103 -13.103 -10.375 1.00 0.00 C ATOM 1008 O THR A 64 -5.764 -12.391 -11.116 1.00 0.00 O ATOM 1009 CB THR A 64 -6.489 -14.142 -8.505 1.00 0.00 C ATOM 1010 OG1 THR A 64 -6.923 -13.917 -7.152 1.00 0.00 O ATOM 1011 CG2 THR A 64 -5.977 -15.595 -8.661 1.00 0.00 C ATOM 0 H THR A 64 -6.699 -11.427 -9.203 1.00 0.00 H new ATOM 0 HA THR A 64 -4.492 -13.277 -8.385 1.00 0.00 H new ATOM 0 HB THR A 64 -7.327 -14.028 -9.193 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.212 -14.183 -6.532 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.763 -16.291 -8.368 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.703 -15.774 -9.701 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.105 -15.744 -8.025 1.00 0.00 H new ATOM 1019 N ILE A 65 -4.087 -13.882 -10.822 1.00 0.00 N ATOM 1020 CA ILE A 65 -3.686 -13.798 -12.226 1.00 0.00 C ATOM 1021 C ILE A 65 -4.652 -14.551 -13.115 1.00 0.00 C ATOM 1022 O ILE A 65 -5.045 -15.648 -12.749 1.00 0.00 O ATOM 1023 CB ILE A 65 -2.235 -14.289 -12.510 1.00 0.00 C ATOM 1024 CG1 ILE A 65 -1.188 -13.679 -11.527 1.00 0.00 C ATOM 1025 CG2 ILE A 65 -1.836 -14.026 -13.993 1.00 0.00 C ATOM 1026 CD1 ILE A 65 -1.253 -12.137 -11.362 1.00 0.00 C ATOM 0 H ILE A 65 -3.559 -14.543 -10.252 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.709 -12.733 -12.459 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.230 -15.365 -12.338 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.322 -14.139 -10.548 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.190 -13.949 -11.872 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.819 -14.378 -14.164 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.520 -14.558 -14.654 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.890 -12.957 -14.200 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.485 -11.814 -10.659 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.085 -11.660 -12.328 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.235 -11.853 -10.983 1.00 0.00 H new ATOM 1038 N GLY A 66 -5.021 -13.995 -14.295 1.00 0.00 N ATOM 1039 CA GLY A 66 -5.761 -14.778 -15.286 1.00 0.00 C ATOM 1040 C GLY A 66 -7.181 -15.141 -14.922 1.00 0.00 C ATOM 1041 O GLY A 66 -7.758 -15.916 -15.670 1.00 0.00 O ATOM 0 H GLY A 66 -4.820 -13.033 -14.569 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.779 -14.218 -16.221 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.210 -15.699 -15.476 1.00 0.00 H new ATOM 1045 N LYS A 67 -7.776 -14.616 -13.826 1.00 0.00 N ATOM 1046 CA LYS A 67 -9.168 -14.949 -13.509 1.00 0.00 C ATOM 1047 C LYS A 67 -10.093 -13.914 -14.111 1.00 0.00 C ATOM 1048 O LYS A 67 -10.997 -14.301 -14.834 1.00 0.00 O ATOM 1049 CB LYS A 67 -9.418 -15.023 -11.977 1.00 0.00 C ATOM 1050 CG LYS A 67 -8.444 -15.986 -11.249 1.00 0.00 C ATOM 1051 CD LYS A 67 -8.566 -17.470 -11.698 1.00 0.00 C ATOM 1052 CE LYS A 67 -7.713 -18.405 -10.799 1.00 0.00 C ATOM 1053 NZ LYS A 67 -7.778 -19.813 -11.257 1.00 0.00 N ATOM 0 H LYS A 67 -7.324 -13.980 -13.169 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.370 -15.933 -13.932 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.320 -14.025 -11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.443 -15.347 -11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.422 -15.649 -11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.625 -15.926 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.611 -17.779 -11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.244 -17.566 -12.735 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.676 -18.068 -10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.065 -18.340 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.197 -20.408 -10.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.764 -20.142 -11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.419 -19.878 -12.231 1.00 0.00 H new ATOM 1067 N GLU A 68 -9.861 -12.617 -13.792 1.00 0.00 N ATOM 1068 CA GLU A 68 -10.728 -11.505 -14.195 1.00 0.00 C ATOM 1069 C GLU A 68 -11.145 -10.888 -12.883 1.00 0.00 C ATOM 1070 O GLU A 68 -12.195 -11.237 -12.366 1.00 0.00 O ATOM 1071 CB GLU A 68 -11.975 -11.786 -15.082 1.00 0.00 C ATOM 1072 CG GLU A 68 -12.754 -10.485 -15.423 1.00 0.00 C ATOM 1073 CD GLU A 68 -11.909 -9.557 -16.256 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -11.644 -9.910 -17.435 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -11.501 -8.479 -15.741 1.00 0.00 O ATOM 0 H GLU A 68 -9.055 -12.320 -13.241 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.152 -10.878 -14.875 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.661 -12.272 -16.005 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.638 -12.480 -14.566 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.668 -10.734 -15.962 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.053 -9.984 -14.503 1.00 0.00 H new ATOM 1082 N CYS A 69 -10.316 -9.985 -12.313 1.00 0.00 N ATOM 1083 CA CYS A 69 -10.634 -9.442 -10.996 1.00 0.00 C ATOM 1084 C CYS A 69 -11.599 -8.302 -11.190 1.00 0.00 C ATOM 1085 O CYS A 69 -11.527 -7.662 -12.227 1.00 0.00 O ATOM 1086 CB CYS A 69 -9.346 -8.981 -10.262 1.00 0.00 C ATOM 1087 SG CYS A 69 -9.732 -8.314 -8.613 1.00 0.00 S ATOM 0 H CYS A 69 -9.456 -9.634 -12.734 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.091 -10.208 -10.369 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.659 -9.821 -10.166 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.838 -8.220 -10.855 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.854 -7.409 -8.294 1.00 0.00 H new ATOM 1092 N ASP A 70 -12.495 -8.032 -10.213 1.00 0.00 N ATOM 1093 CA ASP A 70 -13.265 -6.792 -10.237 1.00 0.00 C ATOM 1094 C ASP A 70 -12.573 -5.899 -9.239 1.00 0.00 C ATOM 1095 O ASP A 70 -12.356 -6.376 -8.135 1.00 0.00 O ATOM 1096 CB ASP A 70 -14.748 -6.985 -9.830 1.00 0.00 C ATOM 1097 CG ASP A 70 -15.454 -5.652 -9.885 1.00 0.00 C ATOM 1098 OD1 ASP A 70 -15.364 -4.887 -8.888 1.00 0.00 O ATOM 1099 OD2 ASP A 70 -16.097 -5.357 -10.928 1.00 0.00 O ATOM 0 H ASP A 70 -12.691 -8.646 -9.422 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.297 -6.383 -11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.232 -7.695 -10.501 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.811 -7.402 -8.825 1.00 0.00 H new ATOM 1104 N ILE A 71 -12.216 -4.642 -9.590 1.00 0.00 N ATOM 1105 CA ILE A 71 -11.513 -3.773 -8.645 1.00 0.00 C ATOM 1106 C ILE A 71 -12.314 -2.517 -8.428 1.00 0.00 C ATOM 1107 O ILE A 71 -12.990 -2.086 -9.347 1.00 0.00 O ATOM 1108 CB ILE A 71 -10.093 -3.404 -9.174 1.00 0.00 C ATOM 1109 CG1 ILE A 71 -9.221 -4.694 -9.188 1.00 0.00 C ATOM 1110 CG2 ILE A 71 -9.430 -2.261 -8.345 1.00 0.00 C ATOM 1111 CD1 ILE A 71 -7.796 -4.458 -9.745 1.00 0.00 C ATOM 0 H ILE A 71 -12.402 -4.223 -10.501 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.399 -4.308 -7.702 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.181 -3.013 -10.188 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.148 -5.087 -8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.718 -5.455 -9.789 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.443 -2.041 -8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -10.051 -1.367 -8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -9.331 -2.575 -7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.239 -5.395 -9.728 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.862 -4.093 -10.770 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.282 -3.719 -9.129 1.00 0.00 H new ATOM 1123 N GLU A 72 -12.204 -1.912 -7.224 1.00 0.00 N ATOM 1124 CA GLU A 72 -12.720 -0.564 -7.000 1.00 0.00 C ATOM 1125 C GLU A 72 -11.577 0.163 -6.332 1.00 0.00 C ATOM 1126 O GLU A 72 -11.063 -0.372 -5.363 1.00 0.00 O ATOM 1127 CB GLU A 72 -13.973 -0.564 -6.089 1.00 0.00 C ATOM 1128 CG GLU A 72 -14.434 0.888 -5.796 1.00 0.00 C ATOM 1129 CD GLU A 72 -15.678 0.885 -4.946 1.00 0.00 C ATOM 1130 OE1 GLU A 72 -15.545 0.866 -3.692 1.00 0.00 O ATOM 1131 OE2 GLU A 72 -16.797 0.905 -5.526 1.00 0.00 O ATOM 0 H GLU A 72 -11.766 -2.339 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.040 -0.095 -7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.779 -1.117 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.749 -1.076 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.639 1.432 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.628 1.410 -6.733 1.00 0.00 H new ATOM 1138 N THR A 73 -11.146 1.344 -6.827 1.00 0.00 N ATOM 1139 CA THR A 73 -9.944 1.969 -6.280 1.00 0.00 C ATOM 1140 C THR A 73 -10.353 2.876 -5.142 1.00 0.00 C ATOM 1141 O THR A 73 -10.396 4.082 -5.326 1.00 0.00 O ATOM 1142 CB THR A 73 -9.177 2.669 -7.433 1.00 0.00 C ATOM 1143 OG1 THR A 73 -9.067 1.719 -8.509 1.00 0.00 O ATOM 1144 CG2 THR A 73 -7.761 3.128 -6.986 1.00 0.00 C ATOM 0 H THR A 73 -11.601 1.861 -7.579 1.00 0.00 H new ATOM 0 HA THR A 73 -9.248 1.245 -5.856 1.00 0.00 H new ATOM 0 HB THR A 73 -9.718 3.563 -7.743 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.587 2.128 -9.259 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.256 3.614 -7.821 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.851 3.831 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.182 2.262 -6.665 1.00 0.00 H new ATOM 1152 N ILE A 74 -10.648 2.280 -3.960 1.00 0.00 N ATOM 1153 CA ILE A 74 -10.979 3.049 -2.756 1.00 0.00 C ATOM 1154 C ILE A 74 -11.953 4.172 -3.051 1.00 0.00 C ATOM 1155 O ILE A 74 -11.529 5.288 -3.297 1.00 0.00 O ATOM 1156 CB ILE A 74 -9.682 3.434 -1.972 1.00 0.00 C ATOM 1157 CG1 ILE A 74 -9.956 3.955 -0.522 1.00 0.00 C ATOM 1158 CG2 ILE A 74 -8.701 4.353 -2.755 1.00 0.00 C ATOM 1159 CD1 ILE A 74 -10.823 5.236 -0.399 1.00 0.00 C ATOM 0 H ILE A 74 -10.661 1.269 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.537 2.423 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.158 2.485 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -10.443 3.158 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.997 4.145 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.831 4.568 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.381 3.850 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.203 5.286 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.941 5.496 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -10.335 6.058 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -11.803 5.056 -0.840 1.00 0.00 H new ATOM 1171 N GLY A 75 -13.283 3.920 -3.009 1.00 0.00 N ATOM 1172 CA GLY A 75 -14.232 5.024 -3.139 1.00 0.00 C ATOM 1173 C GLY A 75 -14.214 5.571 -4.543 1.00 0.00 C ATOM 1174 O GLY A 75 -13.990 6.756 -4.728 1.00 0.00 O ATOM 0 H GLY A 75 -13.700 2.997 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.236 4.680 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.980 5.814 -2.431 1.00 0.00 H new ATOM 1178 N GLY A 76 -14.464 4.699 -5.544 1.00 0.00 N ATOM 1179 CA GLY A 76 -14.479 5.134 -6.937 1.00 0.00 C ATOM 1180 C GLY A 76 -15.454 4.285 -7.710 1.00 0.00 C ATOM 1181 O GLY A 76 -16.199 3.543 -7.088 1.00 0.00 O ATOM 0 H GLY A 76 -14.654 3.706 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.764 6.184 -7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.482 5.048 -7.368 1.00 0.00 H new ATOM 1185 N LYS A 77 -15.469 4.370 -9.059 1.00 0.00 N ATOM 1186 CA LYS A 77 -16.344 3.482 -9.816 1.00 0.00 C ATOM 1187 C LYS A 77 -15.740 2.103 -9.749 1.00 0.00 C ATOM 1188 O LYS A 77 -14.523 2.006 -9.727 1.00 0.00 O ATOM 1189 CB LYS A 77 -16.489 3.872 -11.313 1.00 0.00 C ATOM 1190 CG LYS A 77 -17.152 5.265 -11.491 1.00 0.00 C ATOM 1191 CD LYS A 77 -17.456 5.611 -12.978 1.00 0.00 C ATOM 1192 CE LYS A 77 -16.186 5.684 -13.870 1.00 0.00 C ATOM 1193 NZ LYS A 77 -16.499 6.207 -15.220 1.00 0.00 N ATOM 0 H LYS A 77 -14.909 5.016 -9.615 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.340 3.543 -9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.506 3.876 -11.783 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.085 3.119 -11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.080 5.295 -10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.496 6.029 -11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.134 4.861 -13.386 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.976 6.568 -13.021 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.443 6.324 -13.394 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.744 4.692 -13.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.629 6.242 -15.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.190 5.582 -15.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.898 7.164 -15.138 1.00 0.00 H new ATOM 1207 N LYS A 78 -16.559 1.026 -9.730 1.00 0.00 N ATOM 1208 CA LYS A 78 -15.974 -0.308 -9.814 1.00 0.00 C ATOM 1209 C LYS A 78 -15.394 -0.459 -11.198 1.00 0.00 C ATOM 1210 O LYS A 78 -15.724 0.324 -12.074 1.00 0.00 O ATOM 1211 CB LYS A 78 -16.960 -1.470 -9.495 1.00 0.00 C ATOM 1212 CG LYS A 78 -18.040 -1.692 -10.593 1.00 0.00 C ATOM 1213 CD LYS A 78 -18.894 -2.958 -10.299 1.00 0.00 C ATOM 1214 CE LYS A 78 -19.987 -3.172 -11.383 1.00 0.00 C ATOM 1215 NZ LYS A 78 -20.760 -4.414 -11.147 1.00 0.00 N ATOM 0 H LYS A 78 -17.576 1.059 -9.661 1.00 0.00 H new ATOM 0 HA LYS A 78 -15.209 -0.388 -9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.392 -2.391 -9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -17.456 -1.264 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -18.689 -0.818 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.558 -1.794 -11.565 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -18.246 -3.833 -10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -19.364 -2.862 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -20.664 -2.318 -11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -19.520 -3.216 -12.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -21.479 -4.522 -11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -20.117 -5.232 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -21.227 -4.361 -10.219 1.00 0.00 H new ATOM 1229 N PHE A 79 -14.533 -1.478 -11.395 1.00 0.00 N ATOM 1230 CA PHE A 79 -13.959 -1.733 -12.712 1.00 0.00 C ATOM 1231 C PHE A 79 -13.817 -3.218 -12.915 1.00 0.00 C ATOM 1232 O PHE A 79 -13.765 -3.931 -11.927 1.00 0.00 O ATOM 1233 CB PHE A 79 -12.526 -1.153 -12.799 1.00 0.00 C ATOM 1234 CG PHE A 79 -12.485 0.326 -12.398 1.00 0.00 C ATOM 1235 CD1 PHE A 79 -13.033 1.294 -13.247 1.00 0.00 C ATOM 1236 CD2 PHE A 79 -11.891 0.723 -11.192 1.00 0.00 C ATOM 1237 CE1 PHE A 79 -12.955 2.649 -12.916 1.00 0.00 C ATOM 1238 CE2 PHE A 79 -11.795 2.078 -10.871 1.00 0.00 C ATOM 1239 CZ PHE A 79 -12.326 3.042 -11.733 1.00 0.00 C ATOM 0 H PHE A 79 -14.230 -2.123 -10.665 1.00 0.00 H new ATOM 0 HA PHE A 79 -14.613 -1.277 -13.455 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.863 -1.724 -12.149 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.150 -1.264 -13.816 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.519 0.992 -14.163 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.507 -0.021 -10.510 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -13.381 3.392 -13.574 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.310 2.382 -9.955 1.00 0.00 H new ATOM 0 HZ PHE A 79 -12.250 4.090 -11.484 1.00 0.00 H new ATOM 1249 N LYS A 80 -13.709 -3.676 -14.181 1.00 0.00 N ATOM 1250 CA LYS A 80 -13.240 -5.035 -14.430 1.00 0.00 C ATOM 1251 C LYS A 80 -11.740 -4.930 -14.527 1.00 0.00 C ATOM 1252 O LYS A 80 -11.246 -3.840 -14.766 1.00 0.00 O ATOM 1253 CB LYS A 80 -13.850 -5.642 -15.721 1.00 0.00 C ATOM 1254 CG LYS A 80 -15.396 -5.476 -15.784 1.00 0.00 C ATOM 1255 CD LYS A 80 -16.110 -5.997 -14.507 1.00 0.00 C ATOM 1256 CE LYS A 80 -17.658 -6.031 -14.658 1.00 0.00 C ATOM 1257 NZ LYS A 80 -18.257 -4.704 -14.929 1.00 0.00 N ATOM 0 H LYS A 80 -13.935 -3.136 -15.016 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.550 -5.707 -13.630 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.401 -5.164 -16.591 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.599 -6.701 -15.774 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.638 -4.423 -15.926 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.779 -6.011 -16.653 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.749 -6.999 -14.277 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.845 -5.361 -13.662 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.921 -6.711 -15.468 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.095 -6.438 -13.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.289 -4.800 -15.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.036 -4.057 -14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.868 -4.322 -15.814 1.00 0.00 H new ATOM 1271 N ALA A 81 -11.001 -6.041 -14.332 1.00 0.00 N ATOM 1272 CA ALA A 81 -9.545 -5.958 -14.319 1.00 0.00 C ATOM 1273 C ALA A 81 -8.994 -7.266 -14.823 1.00 0.00 C ATOM 1274 O ALA A 81 -8.684 -8.129 -14.017 1.00 0.00 O ATOM 1275 CB ALA A 81 -9.085 -5.592 -12.888 1.00 0.00 C ATOM 0 H ALA A 81 -11.383 -6.975 -14.186 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.165 -5.177 -14.978 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.997 -5.526 -12.861 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.514 -4.632 -12.602 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.419 -6.360 -12.191 1.00 0.00 H new ATOM 1281 N THR A 82 -8.879 -7.405 -16.165 1.00 0.00 N ATOM 1282 CA THR A 82 -8.281 -8.606 -16.735 1.00 0.00 C ATOM 1283 C THR A 82 -6.825 -8.590 -16.346 1.00 0.00 C ATOM 1284 O THR A 82 -5.984 -8.174 -17.127 1.00 0.00 O ATOM 1285 CB THR A 82 -8.468 -8.628 -18.277 1.00 0.00 C ATOM 1286 OG1 THR A 82 -9.855 -8.377 -18.557 1.00 0.00 O ATOM 1287 CG2 THR A 82 -8.022 -9.989 -18.876 1.00 0.00 C ATOM 0 H THR A 82 -9.188 -6.712 -16.847 1.00 0.00 H new ATOM 0 HA THR A 82 -8.760 -9.509 -16.357 1.00 0.00 H new ATOM 0 HB THR A 82 -7.846 -7.860 -18.737 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.386 -9.162 -18.308 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.164 -9.975 -19.957 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.969 -10.158 -18.651 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.619 -10.791 -18.442 1.00 0.00 H new ATOM 1295 N VAL A 83 -6.521 -9.039 -15.111 1.00 0.00 N ATOM 1296 CA VAL A 83 -5.137 -9.026 -14.667 1.00 0.00 C ATOM 1297 C VAL A 83 -4.361 -9.956 -15.557 1.00 0.00 C ATOM 1298 O VAL A 83 -4.904 -10.969 -15.967 1.00 0.00 O ATOM 1299 CB VAL A 83 -4.976 -9.434 -13.174 1.00 0.00 C ATOM 1300 CG1 VAL A 83 -3.506 -9.792 -12.837 1.00 0.00 C ATOM 1301 CG2 VAL A 83 -5.407 -8.276 -12.239 1.00 0.00 C ATOM 0 H VAL A 83 -7.195 -9.400 -14.436 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.756 -8.007 -14.738 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.611 -10.306 -13.019 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.431 -10.072 -11.786 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.183 -10.627 -13.459 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.868 -8.929 -13.029 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.286 -8.583 -11.200 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.786 -7.401 -12.433 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.452 -8.028 -12.425 1.00 0.00 H new ATOM 1311 N GLN A 84 -3.094 -9.597 -15.866 1.00 0.00 N ATOM 1312 CA GLN A 84 -2.359 -10.354 -16.869 1.00 0.00 C ATOM 1313 C GLN A 84 -0.872 -10.165 -16.671 1.00 0.00 C ATOM 1314 O GLN A 84 -0.417 -9.047 -16.846 1.00 0.00 O ATOM 1315 CB GLN A 84 -2.891 -9.735 -18.191 1.00 0.00 C ATOM 1316 CG GLN A 84 -2.148 -10.223 -19.454 1.00 0.00 C ATOM 1317 CD GLN A 84 -2.262 -11.723 -19.593 1.00 0.00 C ATOM 1318 OE1 GLN A 84 -3.294 -12.186 -20.055 1.00 0.00 O ATOM 1319 NE2 GLN A 84 -1.238 -12.512 -19.199 1.00 0.00 N ATOM 0 H GLN A 84 -2.587 -8.817 -15.447 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.500 -11.434 -16.837 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.950 -9.971 -18.291 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.811 -8.650 -18.131 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.564 -9.738 -20.337 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.098 -9.937 -19.398 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.390 -12.094 -18.817 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.314 -13.526 -19.283 1.00 0.00 H new ATOM 1328 N MET A 85 -0.083 -11.209 -16.312 1.00 0.00 N ATOM 1329 CA MET A 85 1.360 -11.006 -16.192 1.00 0.00 C ATOM 1330 C MET A 85 1.965 -10.915 -17.568 1.00 0.00 C ATOM 1331 O MET A 85 1.377 -11.444 -18.498 1.00 0.00 O ATOM 1332 CB MET A 85 2.100 -12.058 -15.322 1.00 0.00 C ATOM 1333 CG MET A 85 1.632 -11.975 -13.847 1.00 0.00 C ATOM 1334 SD MET A 85 2.504 -13.198 -12.813 1.00 0.00 S ATOM 1335 CE MET A 85 4.054 -12.323 -12.435 1.00 0.00 C ATOM 0 H MET A 85 -0.413 -12.153 -16.111 1.00 0.00 H new ATOM 0 HA MET A 85 1.495 -10.069 -15.652 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.912 -13.058 -15.713 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.176 -11.891 -15.377 1.00 0.00 H new ATOM 0 HG2 MET A 85 1.813 -10.972 -13.460 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.557 -12.148 -13.793 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.685 -12.954 -11.809 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.578 -12.094 -13.363 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.829 -11.396 -11.907 1.00 0.00 H new ATOM 1345 N GLU A 86 3.126 -10.233 -17.709 1.00 0.00 N ATOM 1346 CA GLU A 86 3.697 -10.037 -19.040 1.00 0.00 C ATOM 1347 C GLU A 86 5.201 -10.063 -18.920 1.00 0.00 C ATOM 1348 O GLU A 86 5.852 -9.051 -19.126 1.00 0.00 O ATOM 1349 CB GLU A 86 3.105 -8.716 -19.598 1.00 0.00 C ATOM 1350 CG GLU A 86 3.426 -8.505 -21.102 1.00 0.00 C ATOM 1351 CD GLU A 86 2.857 -7.189 -21.570 1.00 0.00 C ATOM 1352 OE1 GLU A 86 1.605 -7.044 -21.552 1.00 0.00 O ATOM 1353 OE2 GLU A 86 3.652 -6.290 -21.959 1.00 0.00 O ATOM 0 H GLU A 86 3.661 -9.827 -16.941 1.00 0.00 H new ATOM 0 HA GLU A 86 3.444 -10.825 -19.750 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.024 -8.719 -19.458 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.498 -7.876 -19.025 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.505 -8.520 -21.258 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.007 -9.322 -21.690 1.00 0.00 H new ATOM 1360 N GLY A 87 5.762 -11.244 -18.571 1.00 0.00 N ATOM 1361 CA GLY A 87 7.205 -11.346 -18.389 1.00 0.00 C ATOM 1362 C GLY A 87 7.570 -10.740 -17.057 1.00 0.00 C ATOM 1363 O GLY A 87 8.385 -9.831 -17.023 1.00 0.00 O ATOM 0 H GLY A 87 5.244 -12.109 -18.416 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.518 -12.390 -18.427 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.725 -10.828 -19.195 1.00 0.00 H new ATOM 1367 N GLY A 88 6.972 -11.243 -15.951 1.00 0.00 N ATOM 1368 CA GLY A 88 7.303 -10.730 -14.623 1.00 0.00 C ATOM 1369 C GLY A 88 6.360 -9.621 -14.225 1.00 0.00 C ATOM 1370 O GLY A 88 5.699 -9.743 -13.207 1.00 0.00 O ATOM 0 H GLY A 88 6.274 -11.987 -15.961 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.250 -11.538 -13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.329 -10.361 -14.616 1.00 0.00 H new ATOM 1374 N LYS A 89 6.289 -8.517 -15.002 1.00 0.00 N ATOM 1375 CA LYS A 89 5.468 -7.386 -14.573 1.00 0.00 C ATOM 1376 C LYS A 89 4.019 -7.796 -14.551 1.00 0.00 C ATOM 1377 O LYS A 89 3.670 -8.672 -15.327 1.00 0.00 O ATOM 1378 CB LYS A 89 5.634 -6.113 -15.451 1.00 0.00 C ATOM 1379 CG LYS A 89 5.128 -6.265 -16.913 1.00 0.00 C ATOM 1380 CD LYS A 89 5.332 -4.939 -17.700 1.00 0.00 C ATOM 1381 CE LYS A 89 4.878 -5.019 -19.185 1.00 0.00 C ATOM 1382 NZ LYS A 89 5.766 -5.858 -20.025 1.00 0.00 N ATOM 0 H LYS A 89 6.772 -8.395 -15.892 1.00 0.00 H new ATOM 0 HA LYS A 89 5.816 -7.117 -13.575 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.098 -5.289 -14.979 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.688 -5.837 -15.472 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.665 -7.075 -17.408 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.072 -6.536 -16.912 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.779 -4.142 -17.202 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.386 -4.665 -17.666 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.865 -5.419 -19.227 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.840 -4.012 -19.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.246 -6.179 -20.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.593 -5.301 -20.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.083 -6.684 -19.478 1.00 0.00 H new ATOM 1396 N VAL A 90 3.183 -7.173 -13.685 1.00 0.00 N ATOM 1397 CA VAL A 90 1.747 -7.453 -13.690 1.00 0.00 C ATOM 1398 C VAL A 90 1.065 -6.365 -14.481 1.00 0.00 C ATOM 1399 O VAL A 90 1.550 -5.245 -14.433 1.00 0.00 O ATOM 1400 CB VAL A 90 1.117 -7.636 -12.276 1.00 0.00 C ATOM 1401 CG1 VAL A 90 1.061 -6.320 -11.456 1.00 0.00 C ATOM 1402 CG2 VAL A 90 -0.327 -8.195 -12.376 1.00 0.00 C ATOM 0 H VAL A 90 3.481 -6.488 -12.991 1.00 0.00 H new ATOM 0 HA VAL A 90 1.594 -8.424 -14.161 1.00 0.00 H new ATOM 0 HB VAL A 90 1.771 -8.340 -11.761 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.612 -6.517 -10.483 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.071 -5.934 -11.318 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.461 -5.584 -11.990 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.742 -8.313 -11.375 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.946 -7.503 -12.946 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.309 -9.163 -12.877 1.00 0.00 H new ATOM 1412 N VAL A 91 -0.036 -6.676 -15.208 1.00 0.00 N ATOM 1413 CA VAL A 91 -0.732 -5.666 -16.002 1.00 0.00 C ATOM 1414 C VAL A 91 -2.213 -5.735 -15.680 1.00 0.00 C ATOM 1415 O VAL A 91 -2.880 -6.608 -16.211 1.00 0.00 O ATOM 1416 CB VAL A 91 -0.488 -5.951 -17.517 1.00 0.00 C ATOM 1417 CG1 VAL A 91 -1.109 -4.864 -18.429 1.00 0.00 C ATOM 1418 CG2 VAL A 91 1.025 -6.064 -17.843 1.00 0.00 C ATOM 0 H VAL A 91 -0.447 -7.608 -15.253 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.359 -4.669 -15.769 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.978 -6.903 -17.719 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.912 -5.108 -19.473 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.186 -4.822 -18.264 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.668 -3.896 -18.193 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.154 -6.263 -18.907 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.524 -5.130 -17.585 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.462 -6.879 -17.266 1.00 0.00 H new ATOM 1428 N VAL A 92 -2.761 -4.820 -14.842 1.00 0.00 N ATOM 1429 CA VAL A 92 -4.216 -4.684 -14.760 1.00 0.00 C ATOM 1430 C VAL A 92 -4.593 -4.009 -16.053 1.00 0.00 C ATOM 1431 O VAL A 92 -3.819 -3.201 -16.540 1.00 0.00 O ATOM 1432 CB VAL A 92 -4.738 -3.801 -13.577 1.00 0.00 C ATOM 1433 CG1 VAL A 92 -6.128 -3.145 -13.841 1.00 0.00 C ATOM 1434 CG2 VAL A 92 -4.778 -4.583 -12.239 1.00 0.00 C ATOM 0 H VAL A 92 -2.231 -4.192 -14.238 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.655 -5.667 -14.590 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.010 -2.993 -13.500 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.420 -2.550 -12.976 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.066 -2.502 -14.719 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.871 -3.924 -14.013 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.146 -3.931 -11.447 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.441 -5.442 -12.339 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.774 -4.927 -11.988 1.00 0.00 H new ATOM 1444 N ASN A 93 -5.780 -4.308 -16.621 1.00 0.00 N ATOM 1445 CA ASN A 93 -6.190 -3.596 -17.829 1.00 0.00 C ATOM 1446 C ASN A 93 -7.702 -3.497 -17.873 1.00 0.00 C ATOM 1447 O ASN A 93 -8.350 -4.505 -17.636 1.00 0.00 O ATOM 1448 CB ASN A 93 -5.527 -4.327 -19.020 1.00 0.00 C ATOM 1449 CG ASN A 93 -5.931 -3.850 -20.391 1.00 0.00 C ATOM 1450 OD1 ASN A 93 -6.702 -2.909 -20.510 1.00 0.00 O ATOM 1451 ND2 ASN A 93 -5.401 -4.500 -21.451 1.00 0.00 N ATOM 0 H ASN A 93 -6.439 -5.006 -16.276 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.856 -2.559 -17.861 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.446 -4.228 -18.926 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.758 -5.390 -18.943 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.641 -4.210 -22.399 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.761 -5.281 -21.303 1.00 0.00 H new ATOM 1458 N SER A 94 -8.265 -2.292 -18.147 1.00 0.00 N ATOM 1459 CA SER A 94 -9.712 -2.071 -18.085 1.00 0.00 C ATOM 1460 C SER A 94 -10.089 -1.088 -19.176 1.00 0.00 C ATOM 1461 O SER A 94 -9.183 -0.392 -19.607 1.00 0.00 O ATOM 1462 CB SER A 94 -10.011 -1.395 -16.718 1.00 0.00 C ATOM 1463 OG SER A 94 -9.356 -2.073 -15.638 1.00 0.00 O ATOM 0 H SER A 94 -7.729 -1.466 -18.412 1.00 0.00 H new ATOM 0 HA SER A 94 -10.260 -3.006 -18.203 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.685 -0.355 -16.747 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.087 -1.387 -16.544 1.00 0.00 H new ATOM 0 HG SER A 94 -9.897 -2.840 -15.357 1.00 0.00 H new ATOM 1469 N PRO A 95 -11.351 -0.944 -19.654 1.00 0.00 N ATOM 1470 CA PRO A 95 -11.626 0.096 -20.636 1.00 0.00 C ATOM 1471 C PRO A 95 -11.468 1.485 -20.056 1.00 0.00 C ATOM 1472 O PRO A 95 -11.257 2.395 -20.842 1.00 0.00 O ATOM 1473 CB PRO A 95 -13.104 -0.224 -20.978 1.00 0.00 C ATOM 1474 CG PRO A 95 -13.642 -0.909 -19.702 1.00 0.00 C ATOM 1475 CD PRO A 95 -12.460 -1.797 -19.245 1.00 0.00 C ATOM 0 HA PRO A 95 -10.951 0.099 -21.492 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.665 0.681 -21.212 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.180 -0.879 -21.846 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.915 -0.180 -18.939 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.533 -1.502 -19.909 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.469 -1.988 -18.172 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.448 -2.767 -19.741 1.00 0.00 H new ATOM 1483 N ASN A 96 -11.560 1.689 -18.718 1.00 0.00 N ATOM 1484 CA ASN A 96 -11.429 3.038 -18.163 1.00 0.00 C ATOM 1485 C ASN A 96 -10.783 2.973 -16.796 1.00 0.00 C ATOM 1486 O ASN A 96 -11.352 3.482 -15.844 1.00 0.00 O ATOM 1487 CB ASN A 96 -12.836 3.689 -18.131 1.00 0.00 C ATOM 1488 CG ASN A 96 -12.768 5.135 -17.693 1.00 0.00 C ATOM 1489 OD1 ASN A 96 -13.182 5.446 -16.587 1.00 0.00 O ATOM 1490 ND2 ASN A 96 -12.245 6.041 -18.548 1.00 0.00 N ATOM 0 H ASN A 96 -11.720 0.953 -18.030 1.00 0.00 H new ATOM 0 HA ASN A 96 -10.781 3.657 -18.783 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -13.289 3.628 -19.121 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -13.480 3.132 -17.451 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -12.186 7.023 -18.277 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.909 5.743 -19.464 1.00 0.00 H new ATOM 1497 N TYR A 97 -9.587 2.341 -16.716 1.00 0.00 N ATOM 1498 CA TYR A 97 -8.842 2.221 -15.456 1.00 0.00 C ATOM 1499 C TYR A 97 -7.739 1.200 -15.663 1.00 0.00 C ATOM 1500 O TYR A 97 -7.766 0.124 -15.087 1.00 0.00 O ATOM 1501 CB TYR A 97 -9.719 1.846 -14.224 1.00 0.00 C ATOM 1502 CG TYR A 97 -8.847 1.365 -13.055 1.00 0.00 C ATOM 1503 CD1 TYR A 97 -7.899 2.225 -12.487 1.00 0.00 C ATOM 1504 CD2 TYR A 97 -8.968 0.062 -12.562 1.00 0.00 C ATOM 1505 CE1 TYR A 97 -7.016 1.757 -11.510 1.00 0.00 C ATOM 1506 CE2 TYR A 97 -8.107 -0.396 -11.562 1.00 0.00 C ATOM 1507 CZ TYR A 97 -7.111 0.437 -11.048 1.00 0.00 C ATOM 1508 OH TYR A 97 -6.233 -0.064 -10.083 1.00 0.00 O ATOM 0 H TYR A 97 -9.124 1.908 -17.515 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.437 3.204 -15.215 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.305 2.711 -13.913 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.426 1.064 -14.501 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.850 3.256 -12.806 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.731 -0.593 -12.956 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.258 2.414 -11.110 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.212 -1.402 -11.183 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.457 -0.998 -9.890 1.00 0.00 H new ATOM 1518 N HIS A 98 -6.745 1.527 -16.515 1.00 0.00 N ATOM 1519 CA HIS A 98 -5.668 0.574 -16.777 1.00 0.00 C ATOM 1520 C HIS A 98 -4.640 0.757 -15.691 1.00 0.00 C ATOM 1521 O HIS A 98 -4.469 1.884 -15.255 1.00 0.00 O ATOM 1522 CB HIS A 98 -5.079 0.807 -18.192 1.00 0.00 C ATOM 1523 CG HIS A 98 -4.164 -0.287 -18.690 1.00 0.00 C ATOM 1524 ND1 HIS A 98 -4.393 -1.082 -19.718 1.00 0.00 N ATOM 1525 CD2 HIS A 98 -2.970 -0.578 -18.143 1.00 0.00 C ATOM 1526 CE1 HIS A 98 -3.382 -1.879 -19.891 1.00 0.00 C ATOM 1527 NE2 HIS A 98 -2.527 -1.624 -19.015 1.00 0.00 N ATOM 0 H HIS A 98 -6.672 2.414 -17.014 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.030 -0.454 -16.763 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.902 0.921 -18.898 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.528 1.748 -18.190 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -5.237 -1.072 -20.291 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.481 -0.143 -17.284 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.295 -2.633 -20.660 1.00 0.00 H new ATOM 1536 N HIS A 99 -3.952 -0.315 -15.239 1.00 0.00 N ATOM 1537 CA HIS A 99 -2.919 -0.138 -14.225 1.00 0.00 C ATOM 1538 C HIS A 99 -1.863 -1.201 -14.377 1.00 0.00 C ATOM 1539 O HIS A 99 -2.205 -2.279 -14.827 1.00 0.00 O ATOM 1540 CB HIS A 99 -3.526 -0.083 -12.798 1.00 0.00 C ATOM 1541 CG HIS A 99 -2.466 -0.388 -11.770 1.00 0.00 C ATOM 1542 ND1 HIS A 99 -1.506 0.455 -11.461 1.00 0.00 N ATOM 1543 CD2 HIS A 99 -2.347 -1.526 -11.055 1.00 0.00 C ATOM 1544 CE1 HIS A 99 -0.741 -0.068 -10.556 1.00 0.00 C ATOM 1545 NE2 HIS A 99 -1.175 -1.213 -10.284 1.00 0.00 N ATOM 0 H HIS A 99 -4.094 -1.275 -15.554 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.434 0.826 -14.375 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.949 0.904 -12.613 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.342 -0.801 -12.714 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.957 -2.417 -11.060 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.124 0.402 -10.111 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -0.750 -1.842 -9.602 1.00 0.00 H new ATOM 1554 N THR A 100 -0.583 -0.932 -14.035 1.00 0.00 N ATOM 1555 CA THR A 100 0.436 -1.968 -14.157 1.00 0.00 C ATOM 1556 C THR A 100 1.437 -1.793 -13.051 1.00 0.00 C ATOM 1557 O THR A 100 1.559 -0.686 -12.549 1.00 0.00 O ATOM 1558 CB THR A 100 1.209 -1.889 -15.502 1.00 0.00 C ATOM 1559 OG1 THR A 100 2.211 -0.861 -15.414 1.00 0.00 O ATOM 1560 CG2 THR A 100 0.261 -1.570 -16.683 1.00 0.00 C ATOM 0 H THR A 100 -0.250 -0.034 -13.685 1.00 0.00 H new ATOM 0 HA THR A 100 -0.074 -2.930 -14.107 1.00 0.00 H new ATOM 0 HB THR A 100 1.670 -2.860 -15.685 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.702 -0.809 -16.261 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.836 -1.522 -17.608 1.00 0.00 H new ATOM 0 HG22 THR A 100 -0.494 -2.352 -16.765 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.227 -0.611 -16.509 1.00 0.00 H new ATOM 1568 N ALA A 101 2.166 -2.873 -12.697 1.00 0.00 N ATOM 1569 CA ALA A 101 3.235 -2.733 -11.716 1.00 0.00 C ATOM 1570 C ALA A 101 4.361 -3.663 -12.081 1.00 0.00 C ATOM 1571 O ALA A 101 4.110 -4.650 -12.753 1.00 0.00 O ATOM 1572 CB ALA A 101 2.713 -2.925 -10.274 1.00 0.00 C ATOM 0 H ALA A 101 2.033 -3.814 -13.067 1.00 0.00 H new ATOM 0 HA ALA A 101 3.627 -1.716 -11.737 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.538 -2.814 -9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.950 -2.176 -10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.282 -3.921 -10.173 1.00 0.00 H new ATOM 1578 N GLU A 102 5.603 -3.320 -11.681 1.00 0.00 N ATOM 1579 CA GLU A 102 6.770 -3.958 -12.276 1.00 0.00 C ATOM 1580 C GLU A 102 7.899 -3.901 -11.278 1.00 0.00 C ATOM 1581 O GLU A 102 8.110 -2.824 -10.745 1.00 0.00 O ATOM 1582 CB GLU A 102 7.117 -3.127 -13.541 1.00 0.00 C ATOM 1583 CG GLU A 102 8.493 -3.521 -14.129 1.00 0.00 C ATOM 1584 CD GLU A 102 8.772 -2.732 -15.382 1.00 0.00 C ATOM 1585 OE1 GLU A 102 8.142 -3.039 -16.430 1.00 0.00 O ATOM 1586 OE2 GLU A 102 9.619 -1.799 -15.331 1.00 0.00 O ATOM 0 H GLU A 102 5.810 -2.622 -10.967 1.00 0.00 H new ATOM 0 HA GLU A 102 6.593 -5.001 -12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.344 -3.274 -14.295 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.120 -2.066 -13.290 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.276 -3.337 -13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.509 -4.588 -14.352 1.00 0.00 H new ATOM 1593 N ILE A 103 8.608 -5.026 -11.007 1.00 0.00 N ATOM 1594 CA ILE A 103 9.677 -5.021 -10.009 1.00 0.00 C ATOM 1595 C ILE A 103 10.978 -5.211 -10.753 1.00 0.00 C ATOM 1596 O ILE A 103 10.971 -5.911 -11.753 1.00 0.00 O ATOM 1597 CB ILE A 103 9.473 -6.120 -8.918 1.00 0.00 C ATOM 1598 CG1 ILE A 103 8.368 -5.751 -7.884 1.00 0.00 C ATOM 1599 CG2 ILE A 103 10.791 -6.414 -8.146 1.00 0.00 C ATOM 1600 CD1 ILE A 103 6.979 -5.496 -8.519 1.00 0.00 C ATOM 0 H ILE A 103 8.454 -5.926 -11.462 1.00 0.00 H new ATOM 0 HA ILE A 103 9.677 -4.075 -9.468 1.00 0.00 H new ATOM 0 HB ILE A 103 9.156 -7.008 -9.464 1.00 0.00 H new ATOM 0 HG12 ILE A 103 8.282 -6.557 -7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.677 -4.859 -7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 103 10.609 -7.183 -7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 103 11.552 -6.761 -8.845 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.136 -5.504 -7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.262 -5.245 -7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 103 7.049 -4.670 -9.227 1.00 0.00 H new ATOM 0 HD13 ILE A 103 6.647 -6.394 -9.041 1.00 0.00 H new ATOM 1612 N VAL A 104 12.087 -4.594 -10.277 1.00 0.00 N ATOM 1613 CA VAL A 104 13.374 -4.712 -10.958 1.00 0.00 C ATOM 1614 C VAL A 104 14.431 -4.815 -9.875 1.00 0.00 C ATOM 1615 O VAL A 104 14.625 -3.821 -9.196 1.00 0.00 O ATOM 1616 CB VAL A 104 13.584 -3.453 -11.852 1.00 0.00 C ATOM 1617 CG1 VAL A 104 14.811 -3.659 -12.779 1.00 0.00 C ATOM 1618 CG2 VAL A 104 12.324 -3.132 -12.707 1.00 0.00 C ATOM 0 H VAL A 104 12.105 -4.020 -9.434 1.00 0.00 H new ATOM 0 HA VAL A 104 13.427 -5.588 -11.605 1.00 0.00 H new ATOM 0 HB VAL A 104 13.761 -2.605 -11.190 1.00 0.00 H new ATOM 0 HG11 VAL A 104 14.950 -2.774 -13.400 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.702 -3.821 -12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 104 14.644 -4.527 -13.416 1.00 0.00 H new ATOM 0 HG21 VAL A 104 12.513 -2.247 -13.315 1.00 0.00 H new ATOM 0 HG22 VAL A 104 12.100 -3.978 -13.357 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.476 -2.945 -12.049 1.00 0.00 H new ATOM 1628 N ASP A 105 15.099 -5.973 -9.662 1.00 0.00 N ATOM 1629 CA ASP A 105 16.050 -6.101 -8.551 1.00 0.00 C ATOM 1630 C ASP A 105 15.455 -5.639 -7.236 1.00 0.00 C ATOM 1631 O ASP A 105 16.126 -4.966 -6.470 1.00 0.00 O ATOM 1632 CB ASP A 105 17.415 -5.436 -8.890 1.00 0.00 C ATOM 1633 CG ASP A 105 17.326 -3.944 -9.097 1.00 0.00 C ATOM 1634 OD1 ASP A 105 17.185 -3.199 -8.090 1.00 0.00 O ATOM 1635 OD2 ASP A 105 17.403 -3.494 -10.272 1.00 0.00 O ATOM 0 H ASP A 105 14.996 -6.811 -10.235 1.00 0.00 H new ATOM 0 HA ASP A 105 16.261 -7.161 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 105 18.120 -5.641 -8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 105 17.820 -5.896 -9.792 1.00 0.00 H new ATOM 1640 N GLY A 106 14.177 -5.993 -6.954 1.00 0.00 N ATOM 1641 CA GLY A 106 13.533 -5.557 -5.712 1.00 0.00 C ATOM 1642 C GLY A 106 13.058 -4.119 -5.730 1.00 0.00 C ATOM 1643 O GLY A 106 12.322 -3.754 -4.827 1.00 0.00 O ATOM 0 H GLY A 106 13.591 -6.566 -7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.681 -6.207 -5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.234 -5.686 -4.888 1.00 0.00 H new ATOM 1647 N LYS A 107 13.451 -3.278 -6.714 1.00 0.00 N ATOM 1648 CA LYS A 107 13.028 -1.879 -6.734 1.00 0.00 C ATOM 1649 C LYS A 107 11.691 -1.880 -7.431 1.00 0.00 C ATOM 1650 O LYS A 107 11.619 -2.495 -8.481 1.00 0.00 O ATOM 1651 CB LYS A 107 14.132 -1.027 -7.423 1.00 0.00 C ATOM 1652 CG LYS A 107 13.857 0.501 -7.433 1.00 0.00 C ATOM 1653 CD LYS A 107 13.030 0.961 -8.662 1.00 0.00 C ATOM 1654 CE LYS A 107 12.687 2.476 -8.613 1.00 0.00 C ATOM 1655 NZ LYS A 107 13.857 3.371 -8.442 1.00 0.00 N ATOM 0 H LYS A 107 14.053 -3.549 -7.491 1.00 0.00 H new ATOM 0 HA LYS A 107 12.904 -1.427 -5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.081 -1.209 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.247 -1.369 -8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.326 0.775 -6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 107 14.807 1.035 -7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.589 0.747 -9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.107 0.384 -8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.170 2.748 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.990 2.651 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.537 4.360 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.341 3.144 -7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.515 3.238 -9.236 1.00 0.00 H new ATOM 1669 N LEU A 108 10.635 -1.245 -6.868 1.00 0.00 N ATOM 1670 CA LEU A 108 9.282 -1.449 -7.385 1.00 0.00 C ATOM 1671 C LEU A 108 8.900 -0.220 -8.163 1.00 0.00 C ATOM 1672 O LEU A 108 9.312 0.862 -7.779 1.00 0.00 O ATOM 1673 CB LEU A 108 8.322 -1.835 -6.223 1.00 0.00 C ATOM 1674 CG LEU A 108 6.843 -2.097 -6.652 1.00 0.00 C ATOM 1675 CD1 LEU A 108 6.139 -3.117 -5.712 1.00 0.00 C ATOM 1676 CD2 LEU A 108 6.003 -0.790 -6.666 1.00 0.00 C ATOM 0 H LEU A 108 10.701 -0.605 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 108 9.218 -2.289 -8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 108 8.707 -2.730 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.334 -1.037 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 108 6.897 -2.507 -7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.113 -3.271 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.675 -4.066 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.135 -2.730 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.981 -1.017 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.996 -0.351 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.442 -0.083 -7.370 1.00 0.00 H new ATOM 1688 N VAL A 109 8.136 -0.365 -9.270 1.00 0.00 N ATOM 1689 CA VAL A 109 7.830 0.795 -10.097 1.00 0.00 C ATOM 1690 C VAL A 109 6.541 0.554 -10.843 1.00 0.00 C ATOM 1691 O VAL A 109 6.285 -0.595 -11.170 1.00 0.00 O ATOM 1692 CB VAL A 109 9.056 1.134 -10.992 1.00 0.00 C ATOM 1693 CG1 VAL A 109 9.553 -0.100 -11.793 1.00 0.00 C ATOM 1694 CG2 VAL A 109 8.737 2.313 -11.945 1.00 0.00 C ATOM 0 H VAL A 109 7.738 -1.247 -9.593 1.00 0.00 H new ATOM 0 HA VAL A 109 7.657 1.685 -9.491 1.00 0.00 H new ATOM 0 HB VAL A 109 9.864 1.436 -10.326 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.410 0.184 -12.404 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.846 -0.889 -11.101 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.752 -0.462 -12.438 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.610 2.530 -12.560 1.00 0.00 H new ATOM 0 HG22 VAL A 109 7.898 2.045 -12.588 1.00 0.00 H new ATOM 0 HG23 VAL A 109 8.477 3.195 -11.359 1.00 0.00 H new ATOM 1704 N GLU A 110 5.707 1.598 -11.080 1.00 0.00 N ATOM 1705 CA GLU A 110 4.356 1.352 -11.574 1.00 0.00 C ATOM 1706 C GLU A 110 3.836 2.483 -12.418 1.00 0.00 C ATOM 1707 O GLU A 110 4.446 3.539 -12.451 1.00 0.00 O ATOM 1708 CB GLU A 110 3.363 1.235 -10.380 1.00 0.00 C ATOM 1709 CG GLU A 110 3.952 0.531 -9.135 1.00 0.00 C ATOM 1710 CD GLU A 110 2.897 0.461 -8.058 1.00 0.00 C ATOM 1711 OE1 GLU A 110 2.094 -0.509 -8.068 1.00 0.00 O ATOM 1712 OE2 GLU A 110 2.862 1.379 -7.195 1.00 0.00 O ATOM 0 H GLU A 110 5.947 2.579 -10.939 1.00 0.00 H new ATOM 0 HA GLU A 110 4.418 0.437 -12.163 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.033 2.234 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.479 0.689 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.290 -0.472 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.823 1.076 -8.772 1.00 0.00 H new ATOM 1719 N VAL A 111 2.670 2.262 -13.068 1.00 0.00 N ATOM 1720 CA VAL A 111 1.998 3.368 -13.747 1.00 0.00 C ATOM 1721 C VAL A 111 0.519 3.080 -13.845 1.00 0.00 C ATOM 1722 O VAL A 111 0.166 1.914 -13.915 1.00 0.00 O ATOM 1723 CB VAL A 111 2.632 3.645 -15.141 1.00 0.00 C ATOM 1724 CG1 VAL A 111 2.633 2.364 -16.017 1.00 0.00 C ATOM 1725 CG2 VAL A 111 1.935 4.818 -15.884 1.00 0.00 C ATOM 0 H VAL A 111 2.198 1.360 -13.131 1.00 0.00 H new ATOM 0 HA VAL A 111 2.131 4.277 -13.161 1.00 0.00 H new ATOM 0 HB VAL A 111 3.665 3.945 -14.964 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.081 2.586 -16.985 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.210 1.584 -15.520 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.608 2.021 -16.162 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.414 4.972 -16.851 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.882 4.579 -16.034 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.020 5.727 -15.289 1.00 0.00 H new ATOM 1735 N SER A 112 -0.345 4.125 -13.848 1.00 0.00 N ATOM 1736 CA SER A 112 -1.777 3.896 -14.022 1.00 0.00 C ATOM 1737 C SER A 112 -2.342 4.872 -15.012 1.00 0.00 C ATOM 1738 O SER A 112 -1.672 5.835 -15.346 1.00 0.00 O ATOM 1739 CB SER A 112 -2.556 3.932 -12.677 1.00 0.00 C ATOM 1740 OG SER A 112 -1.820 3.297 -11.618 1.00 0.00 O ATOM 0 H SER A 112 -0.074 5.102 -13.735 1.00 0.00 H new ATOM 0 HA SER A 112 -1.902 2.887 -14.416 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.765 4.967 -12.405 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.518 3.435 -12.800 1.00 0.00 H new ATOM 0 HG SER A 112 -1.903 2.324 -11.700 1.00 0.00 H new ATOM 1746 N THR A 113 -3.571 4.602 -15.503 1.00 0.00 N ATOM 1747 CA THR A 113 -4.143 5.429 -16.555 1.00 0.00 C ATOM 1748 C THR A 113 -5.646 5.356 -16.466 1.00 0.00 C ATOM 1749 O THR A 113 -6.140 4.312 -16.070 1.00 0.00 O ATOM 1750 CB THR A 113 -3.563 4.961 -17.922 1.00 0.00 C ATOM 1751 OG1 THR A 113 -2.353 5.681 -18.235 1.00 0.00 O ATOM 1752 CG2 THR A 113 -4.553 5.147 -19.101 1.00 0.00 C ATOM 0 H THR A 113 -4.164 3.834 -15.189 1.00 0.00 H new ATOM 0 HA THR A 113 -3.878 6.480 -16.445 1.00 0.00 H new ATOM 0 HB THR A 113 -3.364 3.896 -17.807 1.00 0.00 H new ATOM 0 HG1 THR A 113 -1.881 5.904 -17.405 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.088 4.802 -20.024 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.457 4.568 -18.912 1.00 0.00 H new ATOM 0 HG23 THR A 113 -4.811 6.202 -19.197 1.00 0.00 H new ATOM 1760 N VAL A 114 -6.375 6.446 -16.809 1.00 0.00 N ATOM 1761 CA VAL A 114 -7.828 6.436 -16.628 1.00 0.00 C ATOM 1762 C VAL A 114 -8.503 7.277 -17.692 1.00 0.00 C ATOM 1763 O VAL A 114 -9.239 8.198 -17.377 1.00 0.00 O ATOM 1764 CB VAL A 114 -8.133 6.802 -15.142 1.00 0.00 C ATOM 1765 CG1 VAL A 114 -7.608 8.214 -14.760 1.00 0.00 C ATOM 1766 CG2 VAL A 114 -9.635 6.634 -14.776 1.00 0.00 C ATOM 0 H VAL A 114 -5.990 7.307 -17.197 1.00 0.00 H new ATOM 0 HA VAL A 114 -8.263 5.449 -16.785 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.581 6.080 -14.541 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -7.845 8.420 -13.716 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -6.528 8.251 -14.901 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -8.082 8.963 -15.395 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -9.787 6.903 -13.731 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -10.239 7.284 -15.409 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -9.934 5.597 -14.931 1.00 0.00 H new ATOM 1776 N GLY A 115 -8.261 6.950 -18.985 1.00 0.00 N ATOM 1777 CA GLY A 115 -8.945 7.644 -20.075 1.00 0.00 C ATOM 1778 C GLY A 115 -8.971 9.139 -19.866 1.00 0.00 C ATOM 1779 O GLY A 115 -10.029 9.739 -19.961 1.00 0.00 O ATOM 0 H GLY A 115 -7.609 6.224 -19.283 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.446 7.418 -21.018 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -9.966 7.272 -20.157 1.00 0.00 H new ATOM 1783 N GLY A 116 -7.803 9.751 -19.576 1.00 0.00 N ATOM 1784 CA GLY A 116 -7.787 11.187 -19.310 1.00 0.00 C ATOM 1785 C GLY A 116 -6.400 11.637 -18.921 1.00 0.00 C ATOM 1786 O GLY A 116 -5.844 12.496 -19.588 1.00 0.00 O ATOM 0 H GLY A 116 -6.896 9.286 -19.523 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.117 11.731 -20.195 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.490 11.423 -18.511 1.00 0.00 H new ATOM 1790 N VAL A 117 -5.839 11.046 -17.840 1.00 0.00 N ATOM 1791 CA VAL A 117 -4.482 11.385 -17.415 1.00 0.00 C ATOM 1792 C VAL A 117 -3.779 10.131 -16.957 1.00 0.00 C ATOM 1793 O VAL A 117 -4.465 9.178 -16.621 1.00 0.00 O ATOM 1794 CB VAL A 117 -4.480 12.445 -16.276 1.00 0.00 C ATOM 1795 CG1 VAL A 117 -5.177 13.753 -16.737 1.00 0.00 C ATOM 1796 CG2 VAL A 117 -5.147 11.900 -14.983 1.00 0.00 C ATOM 0 H VAL A 117 -6.304 10.346 -17.262 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.956 11.820 -18.265 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.439 12.669 -16.043 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.163 14.479 -15.924 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.649 14.163 -17.598 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.209 13.537 -17.013 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.126 12.669 -14.211 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.181 11.626 -15.195 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -4.603 11.022 -14.635 1.00 0.00 H new ATOM 1806 N SER A 118 -2.426 10.134 -16.937 1.00 0.00 N ATOM 1807 CA SER A 118 -1.682 8.983 -16.433 1.00 0.00 C ATOM 1808 C SER A 118 -1.171 9.289 -15.047 1.00 0.00 C ATOM 1809 O SER A 118 -1.199 10.443 -14.654 1.00 0.00 O ATOM 1810 CB SER A 118 -0.504 8.611 -17.365 1.00 0.00 C ATOM 1811 OG SER A 118 0.179 7.459 -16.841 1.00 0.00 O ATOM 0 H SER A 118 -1.847 10.909 -17.260 1.00 0.00 H new ATOM 0 HA SER A 118 -2.356 8.127 -16.400 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.873 8.402 -18.369 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.187 9.450 -17.447 1.00 0.00 H new ATOM 0 HG SER A 118 -0.474 6.838 -16.456 1.00 0.00 H new ATOM 1817 N TYR A 119 -0.707 8.254 -14.309 1.00 0.00 N ATOM 1818 CA TYR A 119 -0.240 8.449 -12.934 1.00 0.00 C ATOM 1819 C TYR A 119 0.984 7.596 -12.688 1.00 0.00 C ATOM 1820 O TYR A 119 0.837 6.458 -12.270 1.00 0.00 O ATOM 1821 CB TYR A 119 -1.411 8.049 -12.001 1.00 0.00 C ATOM 1822 CG TYR A 119 -1.181 8.128 -10.480 1.00 0.00 C ATOM 1823 CD1 TYR A 119 -0.075 8.761 -9.902 1.00 0.00 C ATOM 1824 CD2 TYR A 119 -2.131 7.542 -9.636 1.00 0.00 C ATOM 1825 CE1 TYR A 119 0.036 8.870 -8.513 1.00 0.00 C ATOM 1826 CE2 TYR A 119 -2.021 7.641 -8.245 1.00 0.00 C ATOM 1827 CZ TYR A 119 -0.934 8.315 -7.675 1.00 0.00 C ATOM 1828 OH TYR A 119 -0.800 8.437 -6.288 1.00 0.00 O ATOM 0 H TYR A 119 -0.650 7.292 -14.644 1.00 0.00 H new ATOM 0 HA TYR A 119 0.047 9.484 -12.746 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -2.263 8.684 -12.244 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -1.697 7.025 -12.243 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.700 9.169 -10.535 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -2.963 7.004 -10.066 1.00 0.00 H new ATOM 0 HE1 TYR A 119 0.880 9.389 -8.083 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -2.774 7.198 -7.611 1.00 0.00 H new ATOM 0 HH TYR A 119 -1.557 7.999 -5.846 1.00 0.00 H new ATOM 1838 N GLU A 120 2.199 8.135 -12.937 1.00 0.00 N ATOM 1839 CA GLU A 120 3.414 7.369 -12.656 1.00 0.00 C ATOM 1840 C GLU A 120 3.601 7.269 -11.160 1.00 0.00 C ATOM 1841 O GLU A 120 3.327 8.244 -10.479 1.00 0.00 O ATOM 1842 CB GLU A 120 4.675 8.046 -13.264 1.00 0.00 C ATOM 1843 CG GLU A 120 6.012 7.346 -12.885 1.00 0.00 C ATOM 1844 CD GLU A 120 6.084 5.913 -13.348 1.00 0.00 C ATOM 1845 OE1 GLU A 120 5.602 5.622 -14.474 1.00 0.00 O ATOM 1846 OE2 GLU A 120 6.635 5.067 -12.592 1.00 0.00 O ATOM 0 H GLU A 120 2.354 9.068 -13.320 1.00 0.00 H new ATOM 0 HA GLU A 120 3.299 6.383 -13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.579 8.061 -14.350 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.713 9.084 -12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.842 7.903 -13.319 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.137 7.378 -11.803 1.00 0.00 H new ATOM 1853 N ARG A 121 4.083 6.111 -10.647 1.00 0.00 N ATOM 1854 CA ARG A 121 4.386 5.977 -9.220 1.00 0.00 C ATOM 1855 C ARG A 121 5.671 5.192 -9.103 1.00 0.00 C ATOM 1856 O ARG A 121 5.950 4.432 -10.018 1.00 0.00 O ATOM 1857 CB ARG A 121 3.235 5.259 -8.465 1.00 0.00 C ATOM 1858 CG ARG A 121 1.858 5.868 -8.847 1.00 0.00 C ATOM 1859 CD ARG A 121 0.664 5.221 -8.093 1.00 0.00 C ATOM 1860 NE ARG A 121 0.595 5.624 -6.687 1.00 0.00 N ATOM 1861 CZ ARG A 121 -0.387 5.277 -5.880 1.00 0.00 C ATOM 1862 NH1 ARG A 121 -1.386 4.512 -6.258 1.00 0.00 N ATOM 1863 NH2 ARG A 121 -0.370 5.716 -4.642 1.00 0.00 N ATOM 0 H ARG A 121 4.265 5.273 -11.199 1.00 0.00 H new ATOM 0 HA ARG A 121 4.494 6.962 -8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.246 4.196 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.390 5.346 -7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 121 1.872 6.938 -8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.704 5.754 -9.920 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.266 5.496 -8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.748 4.136 -8.151 1.00 0.00 H new ATOM 0 HE ARG A 121 1.346 6.204 -6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.425 4.159 -7.214 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.123 4.271 -5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.393 6.313 -4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.120 5.460 -4.000 1.00 0.00 H new ATOM 1877 N VAL A 122 6.466 5.357 -8.020 1.00 0.00 N ATOM 1878 CA VAL A 122 7.771 4.696 -7.973 1.00 0.00 C ATOM 1879 C VAL A 122 8.211 4.428 -6.553 1.00 0.00 C ATOM 1880 O VAL A 122 7.902 5.243 -5.698 1.00 0.00 O ATOM 1881 CB VAL A 122 8.803 5.521 -8.794 1.00 0.00 C ATOM 1882 CG1 VAL A 122 8.991 6.946 -8.210 1.00 0.00 C ATOM 1883 CG2 VAL A 122 10.168 4.789 -8.873 1.00 0.00 C ATOM 0 H VAL A 122 6.232 5.920 -7.203 1.00 0.00 H new ATOM 0 HA VAL A 122 7.694 3.713 -8.437 1.00 0.00 H new ATOM 0 HB VAL A 122 8.403 5.620 -9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.719 7.492 -8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.038 7.475 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 122 9.348 6.874 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.870 5.389 -9.453 1.00 0.00 H new ATOM 0 HG22 VAL A 122 10.561 4.642 -7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.034 3.821 -9.355 1.00 0.00 H new ATOM 1893 N SER A 123 8.905 3.294 -6.277 1.00 0.00 N ATOM 1894 CA SER A 123 9.147 2.908 -4.891 1.00 0.00 C ATOM 1895 C SER A 123 10.354 2.014 -4.777 1.00 0.00 C ATOM 1896 O SER A 123 10.853 1.568 -5.795 1.00 0.00 O ATOM 1897 CB SER A 123 7.877 2.154 -4.426 1.00 0.00 C ATOM 1898 OG SER A 123 7.952 1.832 -3.032 1.00 0.00 O ATOM 0 H SER A 123 9.289 2.660 -6.978 1.00 0.00 H new ATOM 0 HA SER A 123 9.346 3.785 -4.274 1.00 0.00 H new ATOM 0 HB2 SER A 123 6.996 2.768 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.759 1.240 -5.008 1.00 0.00 H new ATOM 0 HG SER A 123 7.051 1.658 -2.688 1.00 0.00 H new ATOM 1904 N LYS A 124 10.826 1.746 -3.540 1.00 0.00 N ATOM 1905 CA LYS A 124 11.985 0.877 -3.370 1.00 0.00 C ATOM 1906 C LYS A 124 11.878 0.008 -2.143 1.00 0.00 C ATOM 1907 O LYS A 124 11.195 0.387 -1.205 1.00 0.00 O ATOM 1908 CB LYS A 124 13.329 1.647 -3.389 1.00 0.00 C ATOM 1909 CG LYS A 124 13.408 2.896 -2.465 1.00 0.00 C ATOM 1910 CD LYS A 124 12.790 4.204 -3.045 1.00 0.00 C ATOM 1911 CE LYS A 124 13.332 4.651 -4.437 1.00 0.00 C ATOM 1912 NZ LYS A 124 14.810 4.735 -4.497 1.00 0.00 N ATOM 0 H LYS A 124 10.429 2.112 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 124 11.982 0.221 -4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 124 14.125 0.958 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.531 1.963 -4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.905 2.663 -1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 124 14.455 3.084 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.711 4.071 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.961 5.011 -2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.985 3.949 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.910 5.625 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.102 5.037 -5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.147 5.425 -3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 15.219 3.802 -4.289 1.00 0.00 H new ATOM 1926 N LYS A 125 12.550 -1.168 -2.155 1.00 0.00 N ATOM 1927 CA LYS A 125 12.407 -2.110 -1.051 1.00 0.00 C ATOM 1928 C LYS A 125 12.952 -1.489 0.212 1.00 0.00 C ATOM 1929 O LYS A 125 14.035 -0.931 0.151 1.00 0.00 O ATOM 1930 CB LYS A 125 13.114 -3.459 -1.359 1.00 0.00 C ATOM 1931 CG LYS A 125 12.888 -4.534 -0.262 1.00 0.00 C ATOM 1932 CD LYS A 125 13.499 -5.892 -0.705 1.00 0.00 C ATOM 1933 CE LYS A 125 13.270 -7.006 0.351 1.00 0.00 C ATOM 1934 NZ LYS A 125 13.763 -8.317 -0.133 1.00 0.00 N ATOM 0 H LYS A 125 13.177 -1.470 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 125 11.348 -2.329 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.752 -3.842 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 125 14.184 -3.283 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.344 -4.210 0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.821 -4.652 -0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.057 -6.196 -1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.568 -5.769 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.781 -6.742 1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.207 -7.078 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 13.596 -9.041 0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 13.258 -8.578 -1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.782 -8.253 -0.330 1.00 0.00 H new ATOM 1948 N LEU A 126 12.207 -1.580 1.340 1.00 0.00 N ATOM 1949 CA LEU A 126 12.667 -1.022 2.613 1.00 0.00 C ATOM 1950 C LEU A 126 12.918 -2.180 3.552 1.00 0.00 C ATOM 1951 O LEU A 126 14.056 -2.376 3.948 1.00 0.00 O ATOM 1952 CB LEU A 126 11.613 -0.006 3.143 1.00 0.00 C ATOM 1953 CG LEU A 126 11.806 0.402 4.635 1.00 0.00 C ATOM 1954 CD1 LEU A 126 13.205 1.028 4.895 1.00 0.00 C ATOM 1955 CD2 LEU A 126 10.697 1.405 5.061 1.00 0.00 C ATOM 0 H LEU A 126 11.294 -2.033 1.384 1.00 0.00 H new ATOM 0 HA LEU A 126 13.598 -0.464 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 126 11.649 0.892 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 126 10.619 -0.436 3.022 1.00 0.00 H new ATOM 0 HG LEU A 126 11.733 -0.507 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.294 1.297 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.980 0.306 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.324 1.921 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 126 10.840 1.684 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 126 10.753 2.296 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 126 9.719 0.939 4.941 1.00 0.00 H new ATOM 1967 N ALA A 127 11.872 -2.962 3.912 1.00 0.00 N ATOM 1968 CA ALA A 127 12.068 -4.128 4.771 1.00 0.00 C ATOM 1969 C ALA A 127 12.900 -3.777 5.978 1.00 0.00 C ATOM 1970 O ALA A 127 12.403 -3.692 7.089 1.00 0.00 O ATOM 1971 CB ALA A 127 12.731 -5.269 3.957 1.00 0.00 C ATOM 0 H ALA A 127 10.907 -2.802 3.622 1.00 0.00 H new ATOM 0 HA ALA A 127 11.096 -4.467 5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 127 12.876 -6.137 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 127 12.087 -5.540 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 127 13.696 -4.932 3.578 1.00 0.00 H new TER 1977 ALA A 127