USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= -11.2! C(o=-10!,f=-11!) USER MOD Set 1.2: A 120 CYS SG : rot -126:sc= 0.87 USER MOD Set 1.3: A 122 CYS SG : rot 33:sc= 0.97 USER MOD Set 1.4: A 127 CYS SG : rot -5:sc= -0.773 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 60 GLN : amide:sc= -2.06! C(o=-2.1!,f=-2.5!) USER MOD Set 3.1: A 46 TYR OH : rot 90:sc= 0.435 USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.335 (180deg=-1.03) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.529 USER MOD Single : A 9 TYR OH : rot 103:sc= -1.69 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00744 USER MOD Single : A 14 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.066) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -17.2! C(o=-17!,f=-33!) USER MOD Single : A 35 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.0056) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -28:sc= 1.1 USER MOD Single : A 45 HIS : no HE2:sc= -0.48 K(o=-0.48,f=-2.6!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.214 USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= -3.54! (180deg=-3.77!) USER MOD Single : A 57 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=-0.5) USER MOD Single : A 61 ASN : amide:sc= -18.4! C(o=-18!,f=-17!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= -0.28 (180deg=-0.904) USER MOD Single : A 67 THR OG1 : rot -78:sc= -10.5! USER MOD Single : A 71 HIS : no HD1:sc= -11.9! C(o=-12!,f=-11!) USER MOD Single : A 72 SER OG : rot 179:sc= -1.5 USER MOD Single : A 75 SER OG : rot 87:sc= 0.154 USER MOD Single : A 76 GLN : amide:sc= 0.0635 X(o=0.063,f=-0.16) USER MOD Single : A 81 THR OG1 : rot -150:sc= -1.24 USER MOD Single : A 82 CYS SG : rot 180:sc= -0.251 USER MOD Single : A 88 ASN : amide:sc= -3.33! C(o=-3.3!,f=-3.7!) USER MOD Single : A 89 TYR OH : rot 100:sc= -6.41! USER MOD Single : A 93 LYS NZ :NH3+ -127:sc= -0.466 (180deg=-0.701) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 100 LYS NZ :NH3+ -163:sc=-0.00451 (180deg=-0.444) USER MOD Single : A 101 ASN : amide:sc= -4.63! C(o=-4.6!,f=-2.9!) USER MOD Single : A 103 MET CE :methyl 175:sc= -0.638 (180deg=-0.718) USER MOD Single : A 110 ASN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 115 SER OG : rot 59:sc= 0.256 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 140:sc= -1.24 (180deg=-3.27!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.557 20.351 10.440 1.00 0.00 N ATOM 2 CA MET A 1 7.628 19.273 10.870 1.00 0.00 C ATOM 3 C MET A 1 7.847 17.993 10.067 1.00 0.00 C ATOM 4 O MET A 1 7.986 16.911 10.637 1.00 0.00 O ATOM 5 CB MET A 1 6.190 19.768 10.694 1.00 0.00 C ATOM 6 CG MET A 1 5.902 20.337 9.315 1.00 0.00 C ATOM 7 SD MET A 1 4.346 21.245 9.253 1.00 0.00 S ATOM 8 CE MET A 1 3.866 20.978 7.548 1.00 0.00 C ATOM 0 H1 MET A 1 8.225 21.264 10.811 1.00 0.00 H new ATOM 0 H2 MET A 1 9.510 20.154 10.806 1.00 0.00 H new ATOM 0 H3 MET A 1 8.586 20.390 9.401 1.00 0.00 H new ATOM 0 HA MET A 1 7.820 19.037 11.917 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.505 18.942 10.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.985 20.533 11.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.717 20.999 9.021 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.874 19.524 8.589 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.918 21.480 7.354 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.633 21.382 6.887 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.754 19.909 7.364 1.00 0.00 H new ATOM 18 N ALA A 2 7.873 18.121 8.743 1.00 0.00 N ATOM 19 CA ALA A 2 8.070 16.972 7.869 1.00 0.00 C ATOM 20 C ALA A 2 9.048 17.300 6.741 1.00 0.00 C ATOM 21 O ALA A 2 9.858 18.218 6.861 1.00 0.00 O ATOM 22 CB ALA A 2 6.731 16.513 7.308 1.00 0.00 C ATOM 0 H ALA A 2 7.760 19.009 8.254 1.00 0.00 H new ATOM 0 HA ALA A 2 8.503 16.161 8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.885 15.654 6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.070 16.232 8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.278 17.324 6.738 1.00 0.00 H new ATOM 28 N MET A 3 8.973 16.543 5.646 1.00 0.00 N ATOM 29 CA MET A 3 9.858 16.755 4.505 1.00 0.00 C ATOM 30 C MET A 3 11.304 16.449 4.884 1.00 0.00 C ATOM 31 O MET A 3 12.219 17.203 4.555 1.00 0.00 O ATOM 32 CB MET A 3 9.738 18.195 3.991 1.00 0.00 C ATOM 33 CG MET A 3 8.806 18.337 2.799 1.00 0.00 C ATOM 34 SD MET A 3 7.127 17.793 3.166 1.00 0.00 S ATOM 35 CE MET A 3 6.335 18.032 1.578 1.00 0.00 C ATOM 0 H MET A 3 8.308 15.779 5.527 1.00 0.00 H new ATOM 0 HA MET A 3 9.556 16.075 3.708 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.381 18.833 4.800 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.728 18.557 3.713 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.785 19.379 2.480 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.198 17.756 1.964 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.288 17.738 1.646 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.399 19.082 1.294 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.835 17.421 0.826 1.00 0.00 H new ATOM 45 N ALA A 4 11.500 15.334 5.581 1.00 0.00 N ATOM 46 CA ALA A 4 12.830 14.924 6.009 1.00 0.00 C ATOM 47 C ALA A 4 12.933 13.406 6.106 1.00 0.00 C ATOM 48 O ALA A 4 13.701 12.875 6.909 1.00 0.00 O ATOM 49 CB ALA A 4 13.175 15.568 7.343 1.00 0.00 C ATOM 0 H ALA A 4 10.753 14.699 5.861 1.00 0.00 H new ATOM 0 HA ALA A 4 13.547 15.261 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 4 14.172 15.253 7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 4 13.153 16.653 7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 4 12.448 15.260 8.095 1.00 0.00 H new ATOM 55 N ARG A 5 12.157 12.713 5.280 1.00 0.00 N ATOM 56 CA ARG A 5 12.164 11.256 5.267 1.00 0.00 C ATOM 57 C ARG A 5 12.250 10.726 3.841 1.00 0.00 C ATOM 58 O ARG A 5 11.788 9.624 3.546 1.00 0.00 O ATOM 59 CB ARG A 5 10.913 10.706 5.958 1.00 0.00 C ATOM 60 CG ARG A 5 9.624 10.976 5.201 1.00 0.00 C ATOM 61 CD ARG A 5 9.138 12.400 5.412 1.00 0.00 C ATOM 62 NE ARG A 5 9.089 13.151 4.160 1.00 0.00 N ATOM 63 CZ ARG A 5 8.087 13.956 3.808 1.00 0.00 C ATOM 64 NH1 ARG A 5 7.052 14.140 4.621 1.00 0.00 N ATOM 65 NH2 ARG A 5 8.122 14.584 2.640 1.00 0.00 N ATOM 0 H ARG A 5 11.515 13.138 4.611 1.00 0.00 H new ATOM 0 HA ARG A 5 13.044 10.919 5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.026 9.630 6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.837 11.144 6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.783 10.799 4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.855 10.276 5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.146 12.382 5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.798 12.908 6.115 1.00 0.00 H new ATOM 0 HE ARG A 5 9.872 13.053 3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.020 13.663 5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.289 14.758 4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.915 14.450 2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.356 15.200 2.369 1.00 0.00 H new ATOM 79 N SER A 6 12.851 11.520 2.963 1.00 0.00 N ATOM 80 CA SER A 6 13.013 11.141 1.562 1.00 0.00 C ATOM 81 C SER A 6 11.674 11.107 0.829 1.00 0.00 C ATOM 82 O SER A 6 11.463 11.856 -0.124 1.00 0.00 O ATOM 83 CB SER A 6 13.700 9.779 1.453 1.00 0.00 C ATOM 84 OG SER A 6 14.159 9.544 0.132 1.00 0.00 O ATOM 0 H SER A 6 13.236 12.435 3.197 1.00 0.00 H new ATOM 0 HA SER A 6 13.638 11.899 1.089 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.540 9.735 2.146 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.004 8.993 1.745 1.00 0.00 H new ATOM 0 HG SER A 6 14.596 8.668 0.089 1.00 0.00 H new ATOM 90 N ILE A 7 10.777 10.221 1.257 1.00 0.00 N ATOM 91 CA ILE A 7 9.478 10.091 0.607 1.00 0.00 C ATOM 92 C ILE A 7 8.382 10.893 1.322 1.00 0.00 C ATOM 93 O ILE A 7 8.701 11.866 2.002 1.00 0.00 O ATOM 94 CB ILE A 7 9.087 8.626 0.458 1.00 0.00 C ATOM 95 CG1 ILE A 7 8.069 8.450 -0.695 1.00 0.00 C ATOM 96 CG2 ILE A 7 8.577 8.102 1.794 1.00 0.00 C ATOM 97 CD1 ILE A 7 7.966 9.626 -1.652 1.00 0.00 C ATOM 0 H ILE A 7 10.925 9.589 2.044 1.00 0.00 H new ATOM 0 HA ILE A 7 9.576 10.520 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 7 9.958 8.030 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.340 7.561 -1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.085 8.265 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.296 7.054 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.362 8.195 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.707 8.681 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.227 9.405 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.661 10.517 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.935 9.802 -2.118 1.00 0.00 H new ATOM 109 N SER A 8 7.084 10.560 1.124 1.00 0.00 N ATOM 110 CA SER A 8 6.049 11.404 1.754 1.00 0.00 C ATOM 111 C SER A 8 4.730 10.720 2.092 1.00 0.00 C ATOM 112 O SER A 8 4.449 9.612 1.663 1.00 0.00 O ATOM 113 CB SER A 8 5.769 12.615 0.865 1.00 0.00 C ATOM 114 OG SER A 8 6.973 13.179 0.374 1.00 0.00 O ATOM 0 H SER A 8 6.747 9.770 0.573 1.00 0.00 H new ATOM 0 HA SER A 8 6.475 11.683 2.718 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.136 12.317 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.217 13.365 1.431 1.00 0.00 H new ATOM 0 HG SER A 8 6.765 13.951 -0.193 1.00 0.00 H new ATOM 120 N TYR A 9 3.893 11.470 2.820 1.00 0.00 N ATOM 121 CA TYR A 9 2.546 11.039 3.184 1.00 0.00 C ATOM 122 C TYR A 9 1.553 11.772 2.293 1.00 0.00 C ATOM 123 O TYR A 9 1.780 12.932 1.947 1.00 0.00 O ATOM 124 CB TYR A 9 2.247 11.355 4.652 1.00 0.00 C ATOM 125 CG TYR A 9 2.754 12.702 5.100 1.00 0.00 C ATOM 126 CD1 TYR A 9 1.980 13.846 4.956 1.00 0.00 C ATOM 127 CD2 TYR A 9 4.008 12.824 5.675 1.00 0.00 C ATOM 128 CE1 TYR A 9 2.448 15.077 5.374 1.00 0.00 C ATOM 129 CE2 TYR A 9 4.483 14.049 6.098 1.00 0.00 C ATOM 130 CZ TYR A 9 3.699 15.174 5.945 1.00 0.00 C ATOM 131 OH TYR A 9 4.167 16.398 6.364 1.00 0.00 O ATOM 0 H TYR A 9 4.136 12.396 3.172 1.00 0.00 H new ATOM 0 HA TYR A 9 2.464 9.961 3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.170 11.311 4.811 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.693 10.583 5.278 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.999 13.772 4.511 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.625 11.946 5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.837 15.959 5.254 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.463 14.126 6.546 1.00 0.00 H new ATOM 0 HH TYR A 9 4.094 16.460 7.339 1.00 0.00 H new ATOM 141 N ILE A 10 0.467 11.117 1.893 1.00 0.00 N ATOM 142 CA ILE A 10 -0.496 11.776 1.016 1.00 0.00 C ATOM 143 C ILE A 10 -1.921 11.736 1.564 1.00 0.00 C ATOM 144 O ILE A 10 -2.426 10.689 1.970 1.00 0.00 O ATOM 145 CB ILE A 10 -0.465 11.146 -0.403 1.00 0.00 C ATOM 146 CG1 ILE A 10 0.871 11.449 -1.088 1.00 0.00 C ATOM 147 CG2 ILE A 10 -1.619 11.645 -1.270 1.00 0.00 C ATOM 148 CD1 ILE A 10 2.059 10.771 -0.443 1.00 0.00 C ATOM 0 H ILE A 10 0.235 10.158 2.153 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.196 12.822 0.962 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.577 10.068 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.811 11.140 -2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.034 12.527 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.562 11.181 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.567 11.383 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.553 12.728 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.967 11.035 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.147 11.099 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.921 9.690 -0.471 1.00 0.00 H new ATOM 160 N THR A 11 -2.561 12.900 1.526 1.00 0.00 N ATOM 161 CA THR A 11 -3.941 13.063 1.963 1.00 0.00 C ATOM 162 C THR A 11 -4.885 12.959 0.766 1.00 0.00 C ATOM 163 O THR A 11 -4.440 12.934 -0.382 1.00 0.00 O ATOM 164 CB THR A 11 -4.128 14.409 2.665 1.00 0.00 C ATOM 165 OG1 THR A 11 -2.914 14.846 3.248 1.00 0.00 O ATOM 166 CG2 THR A 11 -5.175 14.373 3.757 1.00 0.00 C ATOM 0 H THR A 11 -2.133 13.762 1.189 1.00 0.00 H new ATOM 0 HA THR A 11 -4.176 12.269 2.671 1.00 0.00 H new ATOM 0 HB THR A 11 -4.460 15.096 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.055 15.709 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.258 15.359 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.137 14.089 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.886 13.645 4.515 1.00 0.00 H new ATOM 174 N SER A 12 -6.185 12.902 1.035 1.00 0.00 N ATOM 175 CA SER A 12 -7.186 12.805 -0.028 1.00 0.00 C ATOM 176 C SER A 12 -6.914 13.807 -1.157 1.00 0.00 C ATOM 177 O SER A 12 -6.985 13.460 -2.335 1.00 0.00 O ATOM 178 CB SER A 12 -8.584 13.034 0.545 1.00 0.00 C ATOM 179 OG SER A 12 -8.945 11.997 1.441 1.00 0.00 O ATOM 0 H SER A 12 -6.573 12.921 1.978 1.00 0.00 H new ATOM 0 HA SER A 12 -7.124 11.802 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.616 13.993 1.062 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.309 13.086 -0.267 1.00 0.00 H new ATOM 0 HG SER A 12 -9.843 12.168 1.795 1.00 0.00 H new ATOM 185 N THR A 13 -6.609 15.050 -0.789 1.00 0.00 N ATOM 186 CA THR A 13 -6.330 16.100 -1.772 1.00 0.00 C ATOM 187 C THR A 13 -4.948 15.949 -2.374 1.00 0.00 C ATOM 188 O THR A 13 -4.751 16.216 -3.557 1.00 0.00 O ATOM 189 CB THR A 13 -6.473 17.488 -1.156 1.00 0.00 C ATOM 190 OG1 THR A 13 -5.764 17.574 0.067 1.00 0.00 O ATOM 191 CG2 THR A 13 -7.909 17.883 -0.888 1.00 0.00 C ATOM 0 H THR A 13 -6.548 15.357 0.182 1.00 0.00 H new ATOM 0 HA THR A 13 -7.067 15.990 -2.567 1.00 0.00 H new ATOM 0 HB THR A 13 -6.060 18.173 -1.897 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.868 18.473 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.936 18.881 -0.450 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.467 17.882 -1.824 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.359 17.171 -0.196 1.00 0.00 H new ATOM 199 N GLN A 14 -3.985 15.519 -1.567 1.00 0.00 N ATOM 200 CA GLN A 14 -2.626 15.341 -2.062 1.00 0.00 C ATOM 201 C GLN A 14 -2.634 14.383 -3.248 1.00 0.00 C ATOM 202 O GLN A 14 -1.689 14.341 -4.035 1.00 0.00 O ATOM 203 CB GLN A 14 -1.728 14.803 -0.954 1.00 0.00 C ATOM 204 CG GLN A 14 -1.489 15.795 0.175 1.00 0.00 C ATOM 205 CD GLN A 14 -0.645 16.979 -0.255 1.00 0.00 C ATOM 206 OE1 GLN A 14 -1.015 18.132 -0.034 1.00 0.00 O ATOM 207 NE2 GLN A 14 0.498 16.698 -0.870 1.00 0.00 N ATOM 0 H GLN A 14 -4.117 15.290 -0.582 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.235 16.305 -2.386 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.176 13.899 -0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.768 14.516 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.449 16.154 0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.997 15.285 1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.765 15.727 -1.032 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.109 17.453 -1.180 1.00 0.00 H new ATOM 216 N LEU A 15 -3.729 13.636 -3.384 1.00 0.00 N ATOM 217 CA LEU A 15 -3.891 12.717 -4.491 1.00 0.00 C ATOM 218 C LEU A 15 -4.212 13.495 -5.771 1.00 0.00 C ATOM 219 O LEU A 15 -3.934 13.024 -6.873 1.00 0.00 O ATOM 220 CB LEU A 15 -4.997 11.695 -4.179 1.00 0.00 C ATOM 221 CG LEU A 15 -5.861 11.261 -5.369 1.00 0.00 C ATOM 222 CD1 LEU A 15 -6.472 9.893 -5.114 1.00 0.00 C ATOM 223 CD2 LEU A 15 -6.948 12.291 -5.638 1.00 0.00 C ATOM 0 H LEU A 15 -4.515 13.655 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.959 12.172 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.534 10.807 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.650 12.117 -3.415 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.225 11.192 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.082 9.602 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.678 9.161 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.096 9.934 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.553 11.969 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.582 12.390 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.489 13.253 -5.865 1.00 0.00 H new ATOM 235 N LEU A 16 -4.814 14.685 -5.625 1.00 0.00 N ATOM 236 CA LEU A 16 -5.173 15.488 -6.794 1.00 0.00 C ATOM 237 C LEU A 16 -3.939 15.821 -7.647 1.00 0.00 C ATOM 238 O LEU A 16 -3.931 15.562 -8.850 1.00 0.00 O ATOM 239 CB LEU A 16 -5.905 16.769 -6.358 1.00 0.00 C ATOM 240 CG LEU A 16 -6.037 17.869 -7.420 1.00 0.00 C ATOM 241 CD1 LEU A 16 -4.727 18.627 -7.580 1.00 0.00 C ATOM 242 CD2 LEU A 16 -6.490 17.289 -8.754 1.00 0.00 C ATOM 0 H LEU A 16 -5.057 15.103 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.847 14.899 -7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.905 16.495 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.383 17.185 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.798 18.572 -7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.845 19.401 -8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.455 19.087 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.942 17.936 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.576 18.090 -9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.760 16.557 -9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.459 16.805 -8.630 1.00 0.00 H new ATOM 254 N PRO A 17 -2.876 16.393 -7.047 1.00 0.00 N ATOM 255 CA PRO A 17 -1.651 16.743 -7.777 1.00 0.00 C ATOM 256 C PRO A 17 -0.826 15.515 -8.163 1.00 0.00 C ATOM 257 O PRO A 17 0.114 15.613 -8.951 1.00 0.00 O ATOM 258 CB PRO A 17 -0.865 17.618 -6.786 1.00 0.00 C ATOM 259 CG PRO A 17 -1.800 17.894 -5.655 1.00 0.00 C ATOM 260 CD PRO A 17 -2.772 16.753 -5.631 1.00 0.00 C ATOM 0 HA PRO A 17 -1.880 17.243 -8.718 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.031 17.104 -6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.537 18.545 -7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.260 17.965 -4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.317 18.843 -5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.407 15.922 -5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.735 17.050 -5.216 1.00 0.00 H new ATOM 268 N LEU A 18 -1.180 14.361 -7.600 1.00 0.00 N ATOM 269 CA LEU A 18 -0.466 13.118 -7.887 1.00 0.00 C ATOM 270 C LEU A 18 -0.665 12.675 -9.336 1.00 0.00 C ATOM 271 O LEU A 18 0.006 11.761 -9.809 1.00 0.00 O ATOM 272 CB LEU A 18 -0.933 12.013 -6.941 1.00 0.00 C ATOM 273 CG LEU A 18 0.057 11.648 -5.836 1.00 0.00 C ATOM 274 CD1 LEU A 18 -0.689 11.237 -4.580 1.00 0.00 C ATOM 275 CD2 LEU A 18 0.985 10.536 -6.299 1.00 0.00 C ATOM 0 H LEU A 18 -1.955 14.261 -6.944 1.00 0.00 H new ATOM 0 HA LEU A 18 0.597 13.305 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.871 12.322 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.146 11.119 -7.527 1.00 0.00 H new ATOM 0 HG LEU A 18 0.664 12.524 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.027 10.979 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.314 12.063 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.317 10.373 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.684 10.289 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.397 9.654 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.540 10.867 -7.176 1.00 0.00 H new ATOM 287 N HIS A 19 -1.592 13.327 -10.034 1.00 0.00 N ATOM 288 CA HIS A 19 -1.886 13.004 -11.430 1.00 0.00 C ATOM 289 C HIS A 19 -0.610 12.755 -12.237 1.00 0.00 C ATOM 290 O HIS A 19 -0.617 11.997 -13.207 1.00 0.00 O ATOM 291 CB HIS A 19 -2.688 14.139 -12.072 1.00 0.00 C ATOM 292 CG HIS A 19 -3.427 13.728 -13.307 1.00 0.00 C ATOM 293 ND1 HIS A 19 -4.782 13.475 -13.324 1.00 0.00 N ATOM 294 CD2 HIS A 19 -2.994 13.528 -14.575 1.00 0.00 C ATOM 295 CE1 HIS A 19 -5.150 13.136 -14.547 1.00 0.00 C ATOM 296 NE2 HIS A 19 -4.083 13.161 -15.324 1.00 0.00 N ATOM 0 H HIS A 19 -2.156 14.087 -9.654 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.473 12.086 -11.439 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.401 14.525 -11.344 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.011 14.956 -12.319 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.980 13.637 -14.930 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.153 12.882 -14.858 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -4.070 12.943 -16.320 1.00 0.00 H new ATOM 305 N ARG A 20 0.483 13.396 -11.831 1.00 0.00 N ATOM 306 CA ARG A 20 1.761 13.242 -12.519 1.00 0.00 C ATOM 307 C ARG A 20 2.632 12.194 -11.833 1.00 0.00 C ATOM 308 O ARG A 20 3.856 12.320 -11.796 1.00 0.00 O ATOM 309 CB ARG A 20 2.509 14.578 -12.566 1.00 0.00 C ATOM 310 CG ARG A 20 1.605 15.789 -12.737 1.00 0.00 C ATOM 311 CD ARG A 20 2.380 17.089 -12.581 1.00 0.00 C ATOM 312 NE ARG A 20 1.722 18.012 -11.659 1.00 0.00 N ATOM 313 CZ ARG A 20 0.739 18.838 -12.010 1.00 0.00 C ATOM 314 NH1 ARG A 20 0.297 18.865 -13.262 1.00 0.00 N ATOM 315 NH2 ARG A 20 0.196 19.641 -11.105 1.00 0.00 N ATOM 0 H ARG A 20 0.509 14.026 -11.030 1.00 0.00 H new ATOM 0 HA ARG A 20 1.551 12.910 -13.536 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.083 14.693 -11.647 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.225 14.553 -13.388 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.137 15.759 -13.721 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.802 15.752 -12.001 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.385 16.871 -12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.488 17.566 -13.555 1.00 0.00 H new ATOM 0 HE ARG A 20 2.035 18.024 -10.688 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.711 18.250 -13.962 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.457 19.501 -13.523 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.532 19.625 -10.142 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.557 20.275 -11.372 1.00 0.00 H new ATOM 329 N ARG A 21 1.997 11.163 -11.287 1.00 0.00 N ATOM 330 CA ARG A 21 2.724 10.102 -10.600 1.00 0.00 C ATOM 331 C ARG A 21 2.136 8.725 -10.914 1.00 0.00 C ATOM 332 O ARG A 21 1.656 8.028 -10.020 1.00 0.00 O ATOM 333 CB ARG A 21 2.706 10.344 -9.088 1.00 0.00 C ATOM 334 CG ARG A 21 3.877 11.179 -8.591 1.00 0.00 C ATOM 335 CD ARG A 21 4.677 10.442 -7.528 1.00 0.00 C ATOM 336 NE ARG A 21 4.070 10.563 -6.205 1.00 0.00 N ATOM 337 CZ ARG A 21 4.112 11.671 -5.469 1.00 0.00 C ATOM 338 NH1 ARG A 21 4.725 12.757 -5.925 1.00 0.00 N ATOM 339 NH2 ARG A 21 3.536 11.695 -4.275 1.00 0.00 N ATOM 0 H ARG A 21 0.985 11.039 -11.306 1.00 0.00 H new ATOM 0 HA ARG A 21 3.753 10.119 -10.958 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.775 10.843 -8.819 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.712 9.383 -8.574 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.528 11.430 -9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.507 12.119 -8.182 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.753 9.388 -7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.692 10.838 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 21 3.586 9.751 -5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.167 12.745 -6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.754 13.603 -5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.061 10.865 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.568 12.544 -3.710 1.00 0.00 H new ATOM 353 N PRO A 22 2.172 8.309 -12.193 1.00 0.00 N ATOM 354 CA PRO A 22 1.648 7.004 -12.612 1.00 0.00 C ATOM 355 C PRO A 22 2.522 5.856 -12.113 1.00 0.00 C ATOM 356 O PRO A 22 3.231 5.214 -12.890 1.00 0.00 O ATOM 357 CB PRO A 22 1.684 7.081 -14.139 1.00 0.00 C ATOM 358 CG PRO A 22 2.766 8.059 -14.441 1.00 0.00 C ATOM 359 CD PRO A 22 2.734 9.068 -13.326 1.00 0.00 C ATOM 0 HA PRO A 22 0.654 6.808 -12.209 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.896 6.107 -14.580 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.727 7.412 -14.542 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.736 7.565 -14.492 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.601 8.538 -15.406 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.730 9.448 -13.100 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.114 9.928 -13.580 1.00 0.00 H new ATOM 367 N ASN A 23 2.476 5.618 -10.808 1.00 0.00 N ATOM 368 CA ASN A 23 3.272 4.566 -10.187 1.00 0.00 C ATOM 369 C ASN A 23 2.978 4.486 -8.681 1.00 0.00 C ATOM 370 O ASN A 23 3.866 4.726 -7.875 1.00 0.00 O ATOM 371 CB ASN A 23 4.771 4.828 -10.442 1.00 0.00 C ATOM 372 CG ASN A 23 5.660 4.161 -9.429 1.00 0.00 C ATOM 373 OD1 ASN A 23 5.262 3.186 -8.809 1.00 0.00 O ATOM 374 ND2 ASN A 23 6.859 4.699 -9.246 1.00 0.00 N ATOM 0 H ASN A 23 1.893 6.142 -10.156 1.00 0.00 H new ATOM 0 HA ASN A 23 3.004 3.607 -10.631 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.033 4.472 -11.439 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.955 5.902 -10.428 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.499 4.298 -8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.141 5.514 -9.791 1.00 0.00 H new ATOM 381 N ILE A 24 1.735 4.157 -8.290 1.00 0.00 N ATOM 382 CA ILE A 24 1.392 4.051 -6.858 1.00 0.00 C ATOM 383 C ILE A 24 0.528 2.839 -6.521 1.00 0.00 C ATOM 384 O ILE A 24 -0.303 2.403 -7.316 1.00 0.00 O ATOM 385 CB ILE A 24 0.689 5.307 -6.307 1.00 0.00 C ATOM 386 CG1 ILE A 24 -0.189 5.963 -7.361 1.00 0.00 C ATOM 387 CG2 ILE A 24 1.703 6.303 -5.770 1.00 0.00 C ATOM 388 CD1 ILE A 24 -0.932 7.150 -6.812 1.00 0.00 C ATOM 0 H ILE A 24 0.964 3.963 -8.929 1.00 0.00 H new ATOM 0 HA ILE A 24 2.363 3.937 -6.376 1.00 0.00 H new ATOM 0 HB ILE A 24 0.047 4.987 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.428 6.278 -8.202 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.902 5.234 -7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.183 7.181 -5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.276 5.841 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.378 6.603 -6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.547 7.589 -7.597 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.569 6.831 -5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.218 7.892 -6.453 1.00 0.00 H new ATOM 400 N ALA A 25 0.715 2.333 -5.298 1.00 0.00 N ATOM 401 CA ALA A 25 -0.056 1.205 -4.791 1.00 0.00 C ATOM 402 C ALA A 25 -0.035 1.205 -3.260 1.00 0.00 C ATOM 403 O ALA A 25 0.958 1.592 -2.655 1.00 0.00 O ATOM 404 CB ALA A 25 0.469 -0.110 -5.346 1.00 0.00 C ATOM 0 H ALA A 25 1.403 2.695 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.088 1.310 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.125 -0.934 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.398 -0.100 -6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.510 -0.239 -5.052 1.00 0.00 H new ATOM 410 N ILE A 26 -1.139 0.796 -2.636 1.00 0.00 N ATOM 411 CA ILE A 26 -1.240 0.787 -1.170 1.00 0.00 C ATOM 412 C ILE A 26 -1.115 -0.623 -0.583 1.00 0.00 C ATOM 413 O ILE A 26 -1.980 -1.469 -0.798 1.00 0.00 O ATOM 414 CB ILE A 26 -2.586 1.370 -0.725 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.952 2.603 -1.566 1.00 0.00 C ATOM 416 CG2 ILE A 26 -2.574 1.686 0.763 1.00 0.00 C ATOM 417 CD1 ILE A 26 -3.975 3.516 -0.921 1.00 0.00 C ATOM 0 H ILE A 26 -1.976 0.467 -3.117 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.413 1.394 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.358 0.619 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.046 3.175 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.336 2.270 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.540 2.098 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.384 0.773 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.790 2.413 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.176 4.360 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.898 2.963 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.588 3.882 0.030 1.00 0.00 H new ATOM 429 N ILE A 27 -0.046 -0.866 0.175 1.00 0.00 N ATOM 430 CA ILE A 27 0.168 -2.166 0.806 1.00 0.00 C ATOM 431 C ILE A 27 -0.289 -2.164 2.269 1.00 0.00 C ATOM 432 O ILE A 27 -0.058 -1.196 2.991 1.00 0.00 O ATOM 433 CB ILE A 27 1.646 -2.592 0.711 1.00 0.00 C ATOM 434 CG1 ILE A 27 1.885 -3.907 1.458 1.00 0.00 C ATOM 435 CG2 ILE A 27 2.546 -1.495 1.247 1.00 0.00 C ATOM 436 CD1 ILE A 27 2.559 -4.966 0.613 1.00 0.00 C ATOM 0 H ILE A 27 0.684 -0.180 0.366 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.438 -2.891 0.263 1.00 0.00 H new ATOM 0 HB ILE A 27 1.890 -2.756 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.498 -3.710 2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.930 -4.292 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.587 -1.810 1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.400 -0.586 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.299 -1.299 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.697 -5.871 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.937 -5.191 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.529 -4.600 0.277 1.00 0.00 H new ATOM 448 N ASP A 28 -0.926 -3.252 2.710 1.00 0.00 N ATOM 449 CA ASP A 28 -1.381 -3.325 4.103 1.00 0.00 C ATOM 450 C ASP A 28 -0.985 -4.634 4.806 1.00 0.00 C ATOM 451 O ASP A 28 -0.730 -5.652 4.179 1.00 0.00 O ATOM 452 CB ASP A 28 -2.898 -3.123 4.192 1.00 0.00 C ATOM 453 CG ASP A 28 -3.605 -3.229 2.852 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.224 -2.495 1.916 1.00 0.00 O ATOM 455 OD2 ASP A 28 -4.542 -4.048 2.740 1.00 0.00 O ATOM 0 H ASP A 28 -1.135 -4.073 2.142 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.872 -2.516 4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.316 -3.864 4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.101 -2.143 4.624 1.00 0.00 H new ATOM 460 N VAL A 29 -0.961 -4.590 6.135 1.00 0.00 N ATOM 461 CA VAL A 29 -0.633 -5.761 6.939 1.00 0.00 C ATOM 462 C VAL A 29 -1.925 -6.418 7.407 1.00 0.00 C ATOM 463 O VAL A 29 -2.529 -6.002 8.394 1.00 0.00 O ATOM 464 CB VAL A 29 0.245 -5.394 8.157 1.00 0.00 C ATOM 465 CG1 VAL A 29 -0.436 -4.349 9.030 1.00 0.00 C ATOM 466 CG2 VAL A 29 0.589 -6.637 8.966 1.00 0.00 C ATOM 0 H VAL A 29 -1.166 -3.752 6.679 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.060 -6.453 6.322 1.00 0.00 H new ATOM 0 HB VAL A 29 1.174 -4.962 7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.205 -4.110 9.879 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.614 -3.447 8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.387 -4.741 9.392 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.207 -6.357 9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.329 -7.105 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.135 -7.341 8.338 1.00 0.00 H new ATOM 476 N ARG A 30 -2.367 -7.418 6.657 1.00 0.00 N ATOM 477 CA ARG A 30 -3.613 -8.099 6.955 1.00 0.00 C ATOM 478 C ARG A 30 -3.364 -9.561 7.358 1.00 0.00 C ATOM 479 O ARG A 30 -2.849 -9.808 8.447 1.00 0.00 O ATOM 480 CB ARG A 30 -4.572 -7.968 5.752 1.00 0.00 C ATOM 481 CG ARG A 30 -3.868 -7.715 4.415 1.00 0.00 C ATOM 482 CD ARG A 30 -3.357 -6.275 4.294 1.00 0.00 C ATOM 483 NE ARG A 30 -2.729 -5.960 2.986 1.00 0.00 N ATOM 484 CZ ARG A 30 -1.453 -6.257 2.637 1.00 0.00 C ATOM 485 NH1 ARG A 30 -0.655 -6.888 3.479 1.00 0.00 N ATOM 486 NH2 ARG A 30 -0.957 -5.895 1.462 1.00 0.00 N ATOM 0 H ARG A 30 -1.877 -7.774 5.836 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.089 -7.626 7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.164 -8.880 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.269 -7.152 5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.031 -8.406 4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.558 -7.924 3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.189 -5.591 4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.632 -6.091 5.086 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.305 -5.481 2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.997 -7.157 4.402 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.303 -7.107 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.538 -5.382 0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.006 -6.129 1.221 1.00 0.00 H new ATOM 500 N ASP A 31 -3.716 -10.523 6.488 1.00 0.00 N ATOM 501 CA ASP A 31 -3.527 -11.953 6.764 1.00 0.00 C ATOM 502 C ASP A 31 -4.565 -12.772 6.000 1.00 0.00 C ATOM 503 O ASP A 31 -4.339 -13.160 4.853 1.00 0.00 O ATOM 504 CB ASP A 31 -3.611 -12.267 8.268 1.00 0.00 C ATOM 505 CG ASP A 31 -4.739 -11.533 8.976 1.00 0.00 C ATOM 506 OD1 ASP A 31 -5.626 -10.993 8.281 1.00 0.00 O ATOM 507 OD2 ASP A 31 -4.731 -11.497 10.224 1.00 0.00 O ATOM 0 H ASP A 31 -4.137 -10.330 5.579 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.526 -12.224 6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.746 -13.340 8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.664 -12.005 8.740 1.00 0.00 H new ATOM 512 N GLU A 32 -5.713 -13.009 6.630 1.00 0.00 N ATOM 513 CA GLU A 32 -6.791 -13.750 6.004 1.00 0.00 C ATOM 514 C GLU A 32 -7.850 -12.779 5.499 1.00 0.00 C ATOM 515 O GLU A 32 -9.028 -13.121 5.399 1.00 0.00 O ATOM 516 CB GLU A 32 -7.407 -14.739 6.995 1.00 0.00 C ATOM 517 CG GLU A 32 -7.755 -14.118 8.340 1.00 0.00 C ATOM 518 CD GLU A 32 -6.679 -14.341 9.383 1.00 0.00 C ATOM 519 OE1 GLU A 32 -5.880 -15.288 9.221 1.00 0.00 O ATOM 520 OE2 GLU A 32 -6.635 -13.569 10.365 1.00 0.00 O ATOM 0 H GLU A 32 -5.916 -12.694 7.579 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.392 -14.315 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.310 -15.165 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.711 -15.562 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.914 -13.047 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.695 -14.539 8.698 1.00 0.00 H new ATOM 527 N GLU A 33 -7.413 -11.557 5.181 1.00 0.00 N ATOM 528 CA GLU A 33 -8.315 -10.520 4.683 1.00 0.00 C ATOM 529 C GLU A 33 -9.148 -11.031 3.513 1.00 0.00 C ATOM 530 O GLU A 33 -10.204 -10.477 3.206 1.00 0.00 O ATOM 531 CB GLU A 33 -7.521 -9.285 4.254 1.00 0.00 C ATOM 532 CG GLU A 33 -8.390 -8.161 3.715 1.00 0.00 C ATOM 533 CD GLU A 33 -9.479 -7.750 4.687 1.00 0.00 C ATOM 534 OE1 GLU A 33 -9.312 -7.990 5.901 1.00 0.00 O ATOM 535 OE2 GLU A 33 -10.499 -7.189 4.233 1.00 0.00 O ATOM 0 H GLU A 33 -6.439 -11.264 5.260 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.991 -10.248 5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.951 -8.916 5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.800 -9.574 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.763 -7.298 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.846 -8.477 2.777 1.00 0.00 H new ATOM 542 N ARG A 34 -8.684 -12.101 2.874 1.00 0.00 N ATOM 543 CA ARG A 34 -9.410 -12.689 1.763 1.00 0.00 C ATOM 544 C ARG A 34 -10.781 -13.149 2.240 1.00 0.00 C ATOM 545 O ARG A 34 -11.726 -13.249 1.458 1.00 0.00 O ATOM 546 CB ARG A 34 -8.627 -13.867 1.180 1.00 0.00 C ATOM 547 CG ARG A 34 -9.278 -14.484 -0.047 1.00 0.00 C ATOM 548 CD ARG A 34 -8.343 -15.458 -0.746 1.00 0.00 C ATOM 549 NE ARG A 34 -7.172 -14.786 -1.307 1.00 0.00 N ATOM 550 CZ ARG A 34 -7.191 -14.089 -2.442 1.00 0.00 C ATOM 551 NH1 ARG A 34 -8.311 -13.980 -3.145 1.00 0.00 N ATOM 552 NH2 ARG A 34 -6.083 -13.503 -2.876 1.00 0.00 N ATOM 0 H ARG A 34 -7.811 -12.574 3.109 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.535 -11.941 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.624 -13.531 0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.517 -14.634 1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.191 -15.002 0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.568 -13.695 -0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.019 -16.221 -0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.883 -15.971 -1.542 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.290 -14.855 -0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.165 -14.432 -2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.318 -13.445 -4.013 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.219 -13.587 -2.341 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.095 -12.969 -3.745 1.00 0.00 H new ATOM 566 N ASN A 35 -10.880 -13.413 3.543 1.00 0.00 N ATOM 567 CA ASN A 35 -12.131 -13.845 4.139 1.00 0.00 C ATOM 568 C ASN A 35 -13.200 -12.775 3.951 1.00 0.00 C ATOM 569 O ASN A 35 -14.306 -13.057 3.492 1.00 0.00 O ATOM 570 CB ASN A 35 -11.942 -14.145 5.627 1.00 0.00 C ATOM 571 CG ASN A 35 -13.021 -15.059 6.172 1.00 0.00 C ATOM 572 OD1 ASN A 35 -13.727 -14.711 7.118 1.00 0.00 O ATOM 573 ND2 ASN A 35 -13.154 -16.238 5.573 1.00 0.00 N ATOM 0 H ASN A 35 -10.105 -13.333 4.201 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.454 -14.759 3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.967 -14.606 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.944 -13.210 6.187 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.864 -16.896 5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.546 -16.485 4.792 1.00 0.00 H new ATOM 580 N TYR A 36 -12.847 -11.536 4.288 1.00 0.00 N ATOM 581 CA TYR A 36 -13.762 -10.414 4.136 1.00 0.00 C ATOM 582 C TYR A 36 -14.006 -10.157 2.656 1.00 0.00 C ATOM 583 O TYR A 36 -15.147 -10.154 2.200 1.00 0.00 O ATOM 584 CB TYR A 36 -13.186 -9.160 4.800 1.00 0.00 C ATOM 585 CG TYR A 36 -12.866 -9.342 6.267 1.00 0.00 C ATOM 586 CD1 TYR A 36 -11.684 -9.952 6.670 1.00 0.00 C ATOM 587 CD2 TYR A 36 -13.747 -8.906 7.248 1.00 0.00 C ATOM 588 CE1 TYR A 36 -11.390 -10.121 8.010 1.00 0.00 C ATOM 589 CE2 TYR A 36 -13.458 -9.071 8.590 1.00 0.00 C ATOM 590 CZ TYR A 36 -12.281 -9.679 8.965 1.00 0.00 C ATOM 591 OH TYR A 36 -11.990 -9.845 10.300 1.00 0.00 O ATOM 0 H TYR A 36 -11.934 -11.287 4.668 1.00 0.00 H new ATOM 0 HA TYR A 36 -14.707 -10.657 4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -12.279 -8.865 4.273 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -13.898 -8.342 4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.984 -10.299 5.924 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -14.672 -8.431 6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.467 -10.597 8.307 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -14.153 -8.724 9.341 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.720 -9.479 10.842 1.00 0.00 H new ATOM 601 N ASP A 37 -12.902 -9.964 1.923 1.00 0.00 N ATOM 602 CA ASP A 37 -12.916 -9.724 0.473 1.00 0.00 C ATOM 603 C ASP A 37 -12.784 -8.238 0.141 1.00 0.00 C ATOM 604 O ASP A 37 -12.161 -7.879 -0.857 1.00 0.00 O ATOM 605 CB ASP A 37 -14.164 -10.333 -0.200 1.00 0.00 C ATOM 606 CG ASP A 37 -15.326 -9.362 -0.340 1.00 0.00 C ATOM 607 OD1 ASP A 37 -15.476 -8.478 0.527 1.00 0.00 O ATOM 608 OD2 ASP A 37 -16.092 -9.495 -1.318 1.00 0.00 O ATOM 0 H ASP A 37 -11.964 -9.970 2.323 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.042 -10.232 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -13.889 -10.699 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.492 -11.196 0.380 1.00 0.00 H new ATOM 613 N GLY A 38 -13.367 -7.383 0.978 1.00 0.00 N ATOM 614 CA GLY A 38 -13.302 -5.943 0.744 1.00 0.00 C ATOM 615 C GLY A 38 -13.776 -5.556 -0.650 1.00 0.00 C ATOM 616 O GLY A 38 -13.546 -6.286 -1.613 1.00 0.00 O ATOM 0 H GLY A 38 -13.883 -7.657 1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.912 -5.430 1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.276 -5.602 0.883 1.00 0.00 H new ATOM 620 N HIS A 39 -14.450 -4.413 -0.770 1.00 0.00 N ATOM 621 CA HIS A 39 -14.950 -3.973 -2.065 1.00 0.00 C ATOM 622 C HIS A 39 -14.731 -2.474 -2.263 1.00 0.00 C ATOM 623 O HIS A 39 -14.350 -1.771 -1.326 1.00 0.00 O ATOM 624 CB HIS A 39 -16.431 -4.286 -2.215 1.00 0.00 C ATOM 625 CG HIS A 39 -16.954 -5.431 -1.391 1.00 0.00 C ATOM 626 ND1 HIS A 39 -17.875 -6.315 -1.911 1.00 0.00 N ATOM 627 CD2 HIS A 39 -16.687 -5.777 -0.107 1.00 0.00 C ATOM 628 CE1 HIS A 39 -18.139 -7.171 -0.941 1.00 0.00 C ATOM 629 NE2 HIS A 39 -17.444 -6.885 0.171 1.00 0.00 N ATOM 0 H HIS A 39 -14.659 -3.784 0.005 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.390 -4.517 -2.825 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -16.998 -3.391 -1.958 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -16.632 -4.500 -3.265 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -18.271 -6.309 -2.851 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -16.008 -5.276 0.567 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -18.828 -7.998 -1.031 1.00 0.00 H new ATOM 637 N ILE A 40 -14.957 -1.993 -3.499 1.00 0.00 N ATOM 638 CA ILE A 40 -14.762 -0.572 -3.841 1.00 0.00 C ATOM 639 C ILE A 40 -13.507 -0.031 -3.161 1.00 0.00 C ATOM 640 O ILE A 40 -13.394 1.156 -2.853 1.00 0.00 O ATOM 641 CB ILE A 40 -15.982 0.288 -3.448 1.00 0.00 C ATOM 642 CG1 ILE A 40 -15.885 1.669 -4.098 1.00 0.00 C ATOM 643 CG2 ILE A 40 -16.092 0.417 -1.938 1.00 0.00 C ATOM 644 CD1 ILE A 40 -17.185 2.139 -4.710 1.00 0.00 C ATOM 0 H ILE A 40 -15.275 -2.568 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 40 -14.645 -0.511 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 40 -16.882 -0.208 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.562 2.393 -3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -15.116 1.645 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -16.959 1.028 -1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -16.205 -0.573 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -15.191 0.889 -1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.043 3.125 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.499 1.436 -5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -17.952 2.195 -3.937 1.00 0.00 H new ATOM 656 N ALA A 41 -12.584 -0.949 -2.930 1.00 0.00 N ATOM 657 CA ALA A 41 -11.318 -0.675 -2.283 1.00 0.00 C ATOM 658 C ALA A 41 -10.215 -1.510 -2.917 1.00 0.00 C ATOM 659 O ALA A 41 -10.438 -2.657 -3.305 1.00 0.00 O ATOM 660 CB ALA A 41 -11.413 -0.963 -0.792 1.00 0.00 C ATOM 0 H ALA A 41 -12.699 -1.927 -3.194 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.077 0.380 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.454 -0.752 -0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.183 -0.332 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.670 -2.011 -0.640 1.00 0.00 H new ATOM 666 N GLY A 42 -9.036 -0.933 -3.036 1.00 0.00 N ATOM 667 CA GLY A 42 -7.911 -1.636 -3.614 1.00 0.00 C ATOM 668 C GLY A 42 -6.888 -2.011 -2.563 1.00 0.00 C ATOM 669 O GLY A 42 -7.223 -2.683 -1.589 1.00 0.00 O ATOM 0 H GLY A 42 -8.833 0.022 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.264 -2.536 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.441 -1.010 -4.373 1.00 0.00 H new ATOM 673 N SER A 43 -5.642 -1.581 -2.749 1.00 0.00 N ATOM 674 CA SER A 43 -4.585 -1.890 -1.798 1.00 0.00 C ATOM 675 C SER A 43 -4.407 -3.398 -1.657 1.00 0.00 C ATOM 676 O SER A 43 -5.378 -4.150 -1.596 1.00 0.00 O ATOM 677 CB SER A 43 -4.896 -1.266 -0.435 1.00 0.00 C ATOM 678 OG SER A 43 -5.784 -2.078 0.311 1.00 0.00 O ATOM 0 H SER A 43 -5.344 -1.020 -3.547 1.00 0.00 H new ATOM 0 HA SER A 43 -3.654 -1.467 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.970 -1.127 0.124 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.334 -0.278 -0.576 1.00 0.00 H new ATOM 0 HG SER A 43 -6.353 -2.589 -0.302 1.00 0.00 H new ATOM 684 N LEU A 44 -3.157 -3.833 -1.614 1.00 0.00 N ATOM 685 CA LEU A 44 -2.843 -5.247 -1.488 1.00 0.00 C ATOM 686 C LEU A 44 -3.177 -5.770 -0.096 1.00 0.00 C ATOM 687 O LEU A 44 -3.157 -5.020 0.880 1.00 0.00 O ATOM 688 CB LEU A 44 -1.362 -5.489 -1.787 1.00 0.00 C ATOM 689 CG LEU A 44 -0.898 -5.041 -3.173 1.00 0.00 C ATOM 690 CD1 LEU A 44 0.559 -4.606 -3.127 1.00 0.00 C ATOM 691 CD2 LEU A 44 -1.094 -6.160 -4.186 1.00 0.00 C ATOM 0 H LEU A 44 -2.341 -3.224 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.454 -5.787 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.766 -4.970 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.155 -6.554 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.502 -4.188 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.876 -4.290 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.669 -3.776 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.178 -5.441 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.759 -5.825 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.514 -7.031 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.150 -6.426 -4.234 1.00 0.00 H new ATOM 703 N HIS A 45 -3.469 -7.076 -0.030 1.00 0.00 N ATOM 704 CA HIS A 45 -3.792 -7.761 1.226 1.00 0.00 C ATOM 705 C HIS A 45 -2.796 -8.897 1.466 1.00 0.00 C ATOM 706 O HIS A 45 -2.741 -9.836 0.672 1.00 0.00 O ATOM 707 CB HIS A 45 -5.217 -8.322 1.178 1.00 0.00 C ATOM 708 CG HIS A 45 -5.575 -8.949 -0.134 1.00 0.00 C ATOM 709 ND1 HIS A 45 -5.667 -8.235 -1.310 1.00 0.00 N ATOM 710 CD2 HIS A 45 -5.864 -10.233 -0.452 1.00 0.00 C ATOM 711 CE1 HIS A 45 -5.998 -9.051 -2.295 1.00 0.00 C ATOM 712 NE2 HIS A 45 -6.123 -10.270 -1.800 1.00 0.00 N ATOM 0 H HIS A 45 -3.488 -7.686 -0.847 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.726 -7.043 2.044 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.332 -9.064 1.968 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.922 -7.518 1.390 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.505 -7.232 -1.405 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.887 -11.072 0.228 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.142 -8.770 -3.328 1.00 0.00 H new ATOM 721 N TYR A 46 -1.982 -8.820 2.534 1.00 0.00 N ATOM 722 CA TYR A 46 -0.998 -9.876 2.768 1.00 0.00 C ATOM 723 C TYR A 46 -1.024 -10.435 4.192 1.00 0.00 C ATOM 724 O TYR A 46 -1.793 -9.999 5.044 1.00 0.00 O ATOM 725 CB TYR A 46 0.399 -9.346 2.420 1.00 0.00 C ATOM 726 CG TYR A 46 1.354 -9.194 3.594 1.00 0.00 C ATOM 727 CD1 TYR A 46 0.936 -8.718 4.836 1.00 0.00 C ATOM 728 CD2 TYR A 46 2.681 -9.535 3.446 1.00 0.00 C ATOM 729 CE1 TYR A 46 1.819 -8.593 5.884 1.00 0.00 C ATOM 730 CE2 TYR A 46 3.571 -9.412 4.485 1.00 0.00 C ATOM 731 CZ TYR A 46 3.138 -8.942 5.708 1.00 0.00 C ATOM 732 OH TYR A 46 4.022 -8.819 6.758 1.00 0.00 O ATOM 0 H TYR A 46 -1.987 -8.066 3.221 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.261 -10.712 2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.852 -10.018 1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.290 -8.376 1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.099 -8.443 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.028 -9.907 2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.478 -8.223 6.840 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.607 -9.682 4.345 1.00 0.00 H new ATOM 0 HH TYR A 46 4.038 -9.653 7.272 1.00 0.00 H new ATOM 742 N ALA A 47 -0.132 -11.396 4.423 1.00 0.00 N ATOM 743 CA ALA A 47 0.030 -12.046 5.718 1.00 0.00 C ATOM 744 C ALA A 47 1.508 -12.116 6.088 1.00 0.00 C ATOM 745 O ALA A 47 2.359 -11.613 5.359 1.00 0.00 O ATOM 746 CB ALA A 47 -0.542 -13.451 5.680 1.00 0.00 C ATOM 0 H ALA A 47 0.504 -11.748 3.708 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.506 -11.460 6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.413 -13.923 6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.603 -13.405 5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.021 -14.036 4.922 1.00 0.00 H new ATOM 752 N SER A 48 1.811 -12.765 7.208 1.00 0.00 N ATOM 753 CA SER A 48 3.196 -12.915 7.642 1.00 0.00 C ATOM 754 C SER A 48 3.684 -14.339 7.413 1.00 0.00 C ATOM 755 O SER A 48 4.644 -14.789 8.036 1.00 0.00 O ATOM 756 CB SER A 48 3.345 -12.532 9.117 1.00 0.00 C ATOM 757 OG SER A 48 2.898 -11.208 9.348 1.00 0.00 O ATOM 0 H SER A 48 1.122 -13.192 7.827 1.00 0.00 H new ATOM 0 HA SER A 48 3.811 -12.241 7.045 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.774 -13.225 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.389 -12.624 9.416 1.00 0.00 H new ATOM 0 HG SER A 48 3.002 -10.989 10.297 1.00 0.00 H new ATOM 763 N GLY A 49 3.033 -15.026 6.485 1.00 0.00 N ATOM 764 CA GLY A 49 3.429 -16.378 6.146 1.00 0.00 C ATOM 765 C GLY A 49 4.448 -16.372 5.026 1.00 0.00 C ATOM 766 O GLY A 49 5.249 -17.297 4.889 1.00 0.00 O ATOM 0 H GLY A 49 2.235 -14.670 5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.848 -16.870 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.554 -16.954 5.845 1.00 0.00 H new ATOM 770 N SER A 50 4.418 -15.302 4.238 1.00 0.00 N ATOM 771 CA SER A 50 5.337 -15.121 3.128 1.00 0.00 C ATOM 772 C SER A 50 5.629 -13.633 2.950 1.00 0.00 C ATOM 773 O SER A 50 5.687 -13.128 1.831 1.00 0.00 O ATOM 774 CB SER A 50 4.742 -15.698 1.839 1.00 0.00 C ATOM 775 OG SER A 50 5.730 -16.360 1.068 1.00 0.00 O ATOM 0 H SER A 50 3.754 -14.537 4.354 1.00 0.00 H new ATOM 0 HA SER A 50 6.265 -15.650 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.942 -16.396 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.295 -14.896 1.251 1.00 0.00 H new ATOM 0 HG SER A 50 5.322 -16.719 0.253 1.00 0.00 H new ATOM 781 N PHE A 51 5.801 -12.936 4.075 1.00 0.00 N ATOM 782 CA PHE A 51 6.071 -11.512 4.076 1.00 0.00 C ATOM 783 C PHE A 51 7.246 -11.173 3.184 1.00 0.00 C ATOM 784 O PHE A 51 7.391 -10.038 2.731 1.00 0.00 O ATOM 785 CB PHE A 51 6.340 -11.023 5.506 1.00 0.00 C ATOM 786 CG PHE A 51 7.322 -11.873 6.274 1.00 0.00 C ATOM 787 CD1 PHE A 51 6.904 -13.015 6.940 1.00 0.00 C ATOM 788 CD2 PHE A 51 8.663 -11.524 6.333 1.00 0.00 C ATOM 789 CE1 PHE A 51 7.803 -13.792 7.649 1.00 0.00 C ATOM 790 CE2 PHE A 51 9.566 -12.297 7.041 1.00 0.00 C ATOM 791 CZ PHE A 51 9.135 -13.432 7.698 1.00 0.00 C ATOM 0 H PHE A 51 5.755 -13.350 5.006 1.00 0.00 H new ATOM 0 HA PHE A 51 5.190 -11.005 3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.716 -10.001 5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.397 -10.994 6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.863 -13.302 6.905 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.007 -10.638 5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.463 -14.679 8.163 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.607 -12.013 7.080 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.839 -14.038 8.250 1.00 0.00 H new ATOM 801 N ASP A 52 8.083 -12.162 2.934 1.00 0.00 N ATOM 802 CA ASP A 52 9.242 -11.966 2.098 1.00 0.00 C ATOM 803 C ASP A 52 8.974 -12.486 0.692 1.00 0.00 C ATOM 804 O ASP A 52 9.861 -13.054 0.053 1.00 0.00 O ATOM 805 CB ASP A 52 10.458 -12.690 2.689 1.00 0.00 C ATOM 806 CG ASP A 52 10.358 -12.919 4.188 1.00 0.00 C ATOM 807 OD1 ASP A 52 9.362 -13.531 4.630 1.00 0.00 O ATOM 808 OD2 ASP A 52 11.281 -12.501 4.915 1.00 0.00 O ATOM 0 H ASP A 52 7.978 -13.108 3.300 1.00 0.00 H new ATOM 0 HA ASP A 52 9.452 -10.897 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.576 -13.652 2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.355 -12.108 2.477 1.00 0.00 H new ATOM 813 N ASP A 53 7.742 -12.317 0.219 1.00 0.00 N ATOM 814 CA ASP A 53 7.379 -12.807 -1.104 1.00 0.00 C ATOM 815 C ASP A 53 6.637 -11.770 -1.949 1.00 0.00 C ATOM 816 O ASP A 53 6.382 -12.018 -3.128 1.00 0.00 O ATOM 817 CB ASP A 53 6.522 -14.067 -0.973 1.00 0.00 C ATOM 818 CG ASP A 53 6.401 -14.822 -2.282 1.00 0.00 C ATOM 819 OD1 ASP A 53 7.439 -15.023 -2.949 1.00 0.00 O ATOM 820 OD2 ASP A 53 5.271 -15.213 -2.641 1.00 0.00 O ATOM 0 H ASP A 53 6.989 -11.851 0.725 1.00 0.00 H new ATOM 0 HA ASP A 53 8.312 -13.030 -1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.957 -14.722 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.527 -13.792 -0.622 1.00 0.00 H new ATOM 825 N LYS A 54 6.276 -10.620 -1.376 1.00 0.00 N ATOM 826 CA LYS A 54 5.552 -9.615 -2.164 1.00 0.00 C ATOM 827 C LYS A 54 6.366 -8.342 -2.380 1.00 0.00 C ATOM 828 O LYS A 54 5.848 -7.345 -2.883 1.00 0.00 O ATOM 829 CB LYS A 54 4.212 -9.278 -1.512 1.00 0.00 C ATOM 830 CG LYS A 54 3.323 -10.494 -1.307 1.00 0.00 C ATOM 831 CD LYS A 54 3.041 -10.739 0.165 1.00 0.00 C ATOM 832 CE LYS A 54 4.324 -10.967 0.950 1.00 0.00 C ATOM 833 NZ LYS A 54 4.946 -9.684 1.391 1.00 0.00 N ATOM 0 H LYS A 54 6.463 -10.365 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 54 5.374 -10.056 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.394 -8.802 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.686 -8.552 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.383 -10.352 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.803 -11.373 -1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.506 -9.885 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.389 -11.606 0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.110 -11.585 1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.033 -11.520 0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.972 -9.814 1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.762 -8.947 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.537 -9.396 2.303 1.00 0.00 H new ATOM 847 N ILE A 55 7.640 -8.377 -2.019 1.00 0.00 N ATOM 848 CA ILE A 55 8.504 -7.218 -2.194 1.00 0.00 C ATOM 849 C ILE A 55 9.353 -7.358 -3.468 1.00 0.00 C ATOM 850 O ILE A 55 9.833 -6.366 -4.012 1.00 0.00 O ATOM 851 CB ILE A 55 9.410 -6.986 -0.964 1.00 0.00 C ATOM 852 CG1 ILE A 55 8.917 -7.795 0.244 1.00 0.00 C ATOM 853 CG2 ILE A 55 9.472 -5.514 -0.607 1.00 0.00 C ATOM 854 CD1 ILE A 55 7.527 -7.433 0.699 1.00 0.00 C ATOM 0 H ILE A 55 8.097 -9.190 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 55 7.859 -6.346 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 55 10.412 -7.326 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.941 -8.855 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.609 -7.648 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.116 -5.377 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.875 -4.952 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.470 -5.153 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.253 -8.049 1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.500 -6.381 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.821 -7.607 -0.113 1.00 0.00 H new ATOM 866 N SER A 56 9.483 -8.596 -3.961 1.00 0.00 N ATOM 867 CA SER A 56 10.221 -8.877 -5.206 1.00 0.00 C ATOM 868 C SER A 56 9.319 -8.514 -6.331 1.00 0.00 C ATOM 869 O SER A 56 9.649 -7.792 -7.265 1.00 0.00 O ATOM 870 CB SER A 56 10.552 -10.374 -5.347 1.00 0.00 C ATOM 871 OG SER A 56 10.771 -10.724 -6.703 1.00 0.00 O ATOM 0 H SER A 56 9.086 -9.424 -3.517 1.00 0.00 H new ATOM 0 HA SER A 56 11.155 -8.314 -5.202 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.439 -10.610 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.734 -10.970 -4.942 1.00 0.00 H new ATOM 0 HG SER A 56 10.981 -11.679 -6.764 1.00 0.00 H new ATOM 877 N HIS A 57 8.159 -9.054 -6.153 1.00 0.00 N ATOM 878 CA HIS A 57 7.035 -8.902 -7.023 1.00 0.00 C ATOM 879 C HIS A 57 6.645 -7.433 -7.098 1.00 0.00 C ATOM 880 O HIS A 57 6.321 -6.915 -8.165 1.00 0.00 O ATOM 881 CB HIS A 57 5.935 -9.752 -6.419 1.00 0.00 C ATOM 882 CG HIS A 57 4.648 -9.740 -7.186 1.00 0.00 C ATOM 883 ND1 HIS A 57 3.737 -8.709 -7.109 1.00 0.00 N ATOM 884 CD2 HIS A 57 4.124 -10.639 -8.055 1.00 0.00 C ATOM 885 CE1 HIS A 57 2.707 -8.973 -7.896 1.00 0.00 C ATOM 886 NE2 HIS A 57 2.917 -10.137 -8.480 1.00 0.00 N ATOM 0 H HIS A 57 7.956 -9.649 -5.349 1.00 0.00 H new ATOM 0 HA HIS A 57 7.244 -9.220 -8.044 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.288 -10.780 -6.343 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.741 -9.405 -5.404 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.571 -11.575 -8.357 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.841 -8.343 -8.036 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.286 -10.591 -9.140 1.00 0.00 H new ATOM 895 N LEU A 58 6.733 -6.758 -5.958 1.00 0.00 N ATOM 896 CA LEU A 58 6.447 -5.337 -5.902 1.00 0.00 C ATOM 897 C LEU A 58 7.658 -4.584 -6.434 1.00 0.00 C ATOM 898 O LEU A 58 7.538 -3.494 -6.996 1.00 0.00 O ATOM 899 CB LEU A 58 6.126 -4.903 -4.471 1.00 0.00 C ATOM 900 CG LEU A 58 4.654 -5.025 -4.076 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.441 -4.553 -2.646 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.782 -4.236 -5.043 1.00 0.00 C ATOM 0 H LEU A 58 6.999 -7.173 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 58 5.573 -5.112 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.723 -5.502 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.437 -3.866 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 58 4.365 -6.075 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.387 -4.648 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.039 -5.163 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.744 -3.510 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.736 -4.331 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.071 -3.185 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.913 -4.626 -6.052 1.00 0.00 H new ATOM 914 N VAL A 59 8.831 -5.202 -6.274 1.00 0.00 N ATOM 915 CA VAL A 59 10.078 -4.631 -6.757 1.00 0.00 C ATOM 916 C VAL A 59 10.090 -4.608 -8.287 1.00 0.00 C ATOM 917 O VAL A 59 10.634 -3.694 -8.906 1.00 0.00 O ATOM 918 CB VAL A 59 11.295 -5.433 -6.225 1.00 0.00 C ATOM 919 CG1 VAL A 59 12.276 -5.780 -7.337 1.00 0.00 C ATOM 920 CG2 VAL A 59 11.989 -4.667 -5.109 1.00 0.00 C ATOM 0 H VAL A 59 8.937 -6.104 -5.810 1.00 0.00 H new ATOM 0 HA VAL A 59 10.153 -3.609 -6.386 1.00 0.00 H new ATOM 0 HB VAL A 59 10.920 -6.374 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.113 -6.341 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.772 -6.385 -8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.646 -4.863 -7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.840 -5.243 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.336 -3.706 -5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.288 -4.502 -4.291 1.00 0.00 H new ATOM 930 N GLN A 60 9.491 -5.637 -8.879 1.00 0.00 N ATOM 931 CA GLN A 60 9.425 -5.779 -10.330 1.00 0.00 C ATOM 932 C GLN A 60 8.323 -4.927 -10.941 1.00 0.00 C ATOM 933 O GLN A 60 8.578 -4.091 -11.809 1.00 0.00 O ATOM 934 CB GLN A 60 9.216 -7.243 -10.688 1.00 0.00 C ATOM 935 CG GLN A 60 8.078 -7.933 -9.960 1.00 0.00 C ATOM 936 CD GLN A 60 7.996 -9.411 -10.293 1.00 0.00 C ATOM 937 OE1 GLN A 60 8.552 -10.250 -9.583 1.00 0.00 O ATOM 938 NE2 GLN A 60 7.302 -9.735 -11.377 1.00 0.00 N ATOM 0 H GLN A 60 9.038 -6.395 -8.368 1.00 0.00 H new ATOM 0 HA GLN A 60 10.370 -5.426 -10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.036 -7.315 -11.761 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.139 -7.785 -10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.210 -7.812 -8.885 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.136 -7.451 -10.222 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.858 -9.006 -11.935 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.213 -10.713 -11.652 1.00 0.00 H new ATOM 947 N ASN A 61 7.100 -5.122 -10.457 1.00 0.00 N ATOM 948 CA ASN A 61 5.942 -4.360 -10.914 1.00 0.00 C ATOM 949 C ASN A 61 5.913 -4.165 -12.434 1.00 0.00 C ATOM 950 O ASN A 61 5.231 -3.271 -12.938 1.00 0.00 O ATOM 951 CB ASN A 61 5.887 -3.014 -10.190 1.00 0.00 C ATOM 952 CG ASN A 61 7.233 -2.309 -10.124 1.00 0.00 C ATOM 953 OD1 ASN A 61 7.384 -1.203 -10.635 1.00 0.00 O ATOM 954 ND2 ASN A 61 8.228 -2.947 -9.505 1.00 0.00 N ATOM 0 H ASN A 61 6.884 -5.812 -9.738 1.00 0.00 H new ATOM 0 HA ASN A 61 5.055 -4.943 -10.667 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.170 -2.367 -10.696 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.516 -3.170 -9.177 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.151 -2.516 -9.445 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.066 -3.865 -9.092 1.00 0.00 H new ATOM 961 N VAL A 62 6.624 -5.028 -13.157 1.00 0.00 N ATOM 962 CA VAL A 62 6.656 -4.991 -14.620 1.00 0.00 C ATOM 963 C VAL A 62 7.568 -3.904 -15.194 1.00 0.00 C ATOM 964 O VAL A 62 7.930 -3.973 -16.369 1.00 0.00 O ATOM 965 CB VAL A 62 5.244 -4.804 -15.212 1.00 0.00 C ATOM 966 CG1 VAL A 62 5.258 -5.057 -16.712 1.00 0.00 C ATOM 967 CG2 VAL A 62 4.245 -5.719 -14.516 1.00 0.00 C ATOM 0 H VAL A 62 7.192 -5.770 -12.749 1.00 0.00 H new ATOM 0 HA VAL A 62 7.066 -5.959 -14.909 1.00 0.00 H new ATOM 0 HB VAL A 62 4.932 -3.773 -15.043 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.254 -4.921 -17.113 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.939 -4.355 -17.193 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.591 -6.077 -16.906 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.255 -5.572 -14.948 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.549 -6.757 -14.649 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.215 -5.483 -13.452 1.00 0.00 H new ATOM 977 N LYS A 63 7.937 -2.899 -14.399 1.00 0.00 N ATOM 978 CA LYS A 63 8.799 -1.831 -14.917 1.00 0.00 C ATOM 979 C LYS A 63 9.163 -0.787 -13.870 1.00 0.00 C ATOM 980 O LYS A 63 8.709 0.352 -13.947 1.00 0.00 O ATOM 981 CB LYS A 63 8.118 -1.139 -16.102 1.00 0.00 C ATOM 982 CG LYS A 63 9.091 -0.550 -17.111 1.00 0.00 C ATOM 983 CD LYS A 63 10.066 -1.595 -17.625 1.00 0.00 C ATOM 984 CE LYS A 63 10.485 -1.308 -19.058 1.00 0.00 C ATOM 985 NZ LYS A 63 9.542 -1.906 -20.042 1.00 0.00 N ATOM 0 H LYS A 63 7.663 -2.800 -13.421 1.00 0.00 H new ATOM 0 HA LYS A 63 9.727 -2.310 -15.230 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.474 -1.858 -16.609 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.474 -0.344 -15.725 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.536 -0.127 -17.948 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.644 0.268 -16.649 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.948 -1.618 -16.985 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.606 -2.582 -17.570 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.536 -0.230 -19.212 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.487 -1.702 -19.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.863 -1.688 -21.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.512 -2.937 -19.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.591 -1.511 -19.896 1.00 0.00 H new ATOM 999 N ASP A 64 10.020 -1.172 -12.927 1.00 0.00 N ATOM 1000 CA ASP A 64 10.505 -0.269 -11.874 1.00 0.00 C ATOM 1001 C ASP A 64 9.384 0.538 -11.213 1.00 0.00 C ATOM 1002 O ASP A 64 9.155 0.410 -10.011 1.00 0.00 O ATOM 1003 CB ASP A 64 11.554 0.683 -12.450 1.00 0.00 C ATOM 1004 CG ASP A 64 12.500 1.212 -11.389 1.00 0.00 C ATOM 1005 OD1 ASP A 64 12.066 2.047 -10.568 1.00 0.00 O ATOM 1006 OD2 ASP A 64 13.677 0.793 -11.382 1.00 0.00 O ATOM 0 H ASP A 64 10.400 -2.117 -12.867 1.00 0.00 H new ATOM 0 HA ASP A 64 10.946 -0.896 -11.099 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.128 0.165 -13.219 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.053 1.520 -12.936 1.00 0.00 H new ATOM 1011 N LYS A 65 8.700 1.376 -12.001 1.00 0.00 N ATOM 1012 CA LYS A 65 7.604 2.219 -11.497 1.00 0.00 C ATOM 1013 C LYS A 65 6.866 1.546 -10.353 1.00 0.00 C ATOM 1014 O LYS A 65 5.978 0.721 -10.564 1.00 0.00 O ATOM 1015 CB LYS A 65 6.622 2.540 -12.616 1.00 0.00 C ATOM 1016 CG LYS A 65 6.912 3.852 -13.327 1.00 0.00 C ATOM 1017 CD LYS A 65 7.547 3.623 -14.691 1.00 0.00 C ATOM 1018 CE LYS A 65 6.542 3.061 -15.686 1.00 0.00 C ATOM 1019 NZ LYS A 65 5.219 3.738 -15.584 1.00 0.00 N ATOM 0 H LYS A 65 8.886 1.490 -12.997 1.00 0.00 H new ATOM 0 HA LYS A 65 8.047 3.143 -11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.639 1.730 -13.346 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.614 2.576 -12.203 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.986 4.414 -13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.577 4.460 -12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.948 4.563 -15.069 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.386 2.935 -14.592 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.931 3.175 -16.698 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.417 1.992 -15.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.683 3.586 -16.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.688 3.343 -14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.361 4.758 -15.437 1.00 0.00 H new ATOM 1033 N ASP A 66 7.226 1.934 -9.146 1.00 0.00 N ATOM 1034 CA ASP A 66 6.587 1.392 -7.954 1.00 0.00 C ATOM 1035 C ASP A 66 6.710 2.314 -6.741 1.00 0.00 C ATOM 1036 O ASP A 66 7.791 2.516 -6.200 1.00 0.00 O ATOM 1037 CB ASP A 66 7.185 0.025 -7.621 1.00 0.00 C ATOM 1038 CG ASP A 66 6.127 -0.994 -7.252 1.00 0.00 C ATOM 1039 OD1 ASP A 66 5.226 -1.240 -8.082 1.00 0.00 O ATOM 1040 OD2 ASP A 66 6.198 -1.547 -6.135 1.00 0.00 O ATOM 0 H ASP A 66 7.956 2.621 -8.960 1.00 0.00 H new ATOM 0 HA ASP A 66 5.525 1.297 -8.180 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.753 -0.339 -8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.888 0.131 -6.795 1.00 0.00 H new ATOM 1045 N THR A 67 5.565 2.787 -6.275 1.00 0.00 N ATOM 1046 CA THR A 67 5.473 3.599 -5.066 1.00 0.00 C ATOM 1047 C THR A 67 4.522 2.871 -4.136 1.00 0.00 C ATOM 1048 O THR A 67 3.441 2.471 -4.568 1.00 0.00 O ATOM 1049 CB THR A 67 4.957 5.015 -5.360 1.00 0.00 C ATOM 1050 OG1 THR A 67 3.849 4.964 -6.206 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.984 5.912 -6.011 1.00 0.00 C ATOM 0 H THR A 67 4.666 2.619 -6.726 1.00 0.00 H new ATOM 0 HA THR A 67 6.460 3.724 -4.620 1.00 0.00 H new ATOM 0 HB THR A 67 4.702 5.435 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.148 4.816 -7.128 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.548 6.895 -6.189 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.848 6.011 -5.355 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.297 5.477 -6.960 1.00 0.00 H new ATOM 1059 N LEU A 68 4.894 2.666 -2.889 1.00 0.00 N ATOM 1060 CA LEU A 68 4.008 1.946 -1.990 1.00 0.00 C ATOM 1061 C LEU A 68 3.638 2.775 -0.776 1.00 0.00 C ATOM 1062 O LEU A 68 4.508 3.297 -0.081 1.00 0.00 O ATOM 1063 CB LEU A 68 4.660 0.635 -1.541 1.00 0.00 C ATOM 1064 CG LEU A 68 4.684 -0.473 -2.596 1.00 0.00 C ATOM 1065 CD1 LEU A 68 5.866 -1.403 -2.370 1.00 0.00 C ATOM 1066 CD2 LEU A 68 3.380 -1.255 -2.574 1.00 0.00 C ATOM 0 H LEU A 68 5.776 2.976 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 68 3.092 1.730 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.684 0.844 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.131 0.267 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 68 4.794 -0.011 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.865 -2.184 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.794 -0.835 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.787 -1.858 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.413 -2.039 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.242 -1.705 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.549 -0.582 -2.785 1.00 0.00 H new ATOM 1078 N VAL A 69 2.342 2.847 -0.492 1.00 0.00 N ATOM 1079 CA VAL A 69 1.876 3.557 0.671 1.00 0.00 C ATOM 1080 C VAL A 69 1.341 2.520 1.625 1.00 0.00 C ATOM 1081 O VAL A 69 0.538 1.673 1.229 1.00 0.00 O ATOM 1082 CB VAL A 69 0.795 4.602 0.325 1.00 0.00 C ATOM 1083 CG1 VAL A 69 -0.342 3.956 -0.438 1.00 0.00 C ATOM 1084 CG2 VAL A 69 0.283 5.298 1.579 1.00 0.00 C ATOM 0 H VAL A 69 1.606 2.421 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 69 2.695 4.121 1.117 1.00 0.00 H new ATOM 0 HB VAL A 69 1.248 5.361 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.095 4.708 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.040 3.523 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.790 3.172 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.478 6.029 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.150 4.560 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.110 5.804 2.077 1.00 0.00 H new ATOM 1094 N PHE A 70 1.822 2.517 2.856 1.00 0.00 N ATOM 1095 CA PHE A 70 1.391 1.480 3.778 1.00 0.00 C ATOM 1096 C PHE A 70 0.343 1.952 4.755 1.00 0.00 C ATOM 1097 O PHE A 70 0.288 3.126 5.118 1.00 0.00 O ATOM 1098 CB PHE A 70 2.583 0.950 4.577 1.00 0.00 C ATOM 1099 CG PHE A 70 3.871 0.904 3.811 1.00 0.00 C ATOM 1100 CD1 PHE A 70 4.663 2.032 3.678 1.00 0.00 C ATOM 1101 CD2 PHE A 70 4.288 -0.275 3.230 1.00 0.00 C ATOM 1102 CE1 PHE A 70 5.852 1.981 2.976 1.00 0.00 C ATOM 1103 CE2 PHE A 70 5.474 -0.337 2.525 1.00 0.00 C ATOM 1104 CZ PHE A 70 6.259 0.794 2.397 1.00 0.00 C ATOM 0 H PHE A 70 2.487 3.194 3.231 1.00 0.00 H new ATOM 0 HA PHE A 70 0.952 0.696 3.161 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.721 1.576 5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.349 -0.054 4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.348 2.962 4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.679 -1.162 3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.462 2.867 2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.788 -1.267 2.075 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.187 0.750 1.846 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.453 0.977 5.198 1.00 0.00 N ATOM 1115 CA HIS A 71 -1.529 1.186 6.190 1.00 0.00 C ATOM 1116 C HIS A 71 -2.823 0.495 5.761 1.00 0.00 C ATOM 1117 O HIS A 71 -3.006 -0.690 6.020 1.00 0.00 O ATOM 1118 CB HIS A 71 -1.810 2.672 6.454 1.00 0.00 C ATOM 1119 CG HIS A 71 -0.993 3.268 7.559 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -0.566 2.551 8.659 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -0.553 4.533 7.744 1.00 0.00 C ATOM 1122 CE1 HIS A 71 0.100 3.353 9.473 1.00 0.00 C ATOM 1123 NE2 HIS A 71 0.122 4.561 8.940 1.00 0.00 N ATOM 0 H HIS A 71 -0.375 0.011 4.881 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.170 0.740 7.118 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.625 3.233 5.538 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.866 2.793 6.693 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.704 5.367 7.075 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.549 3.068 10.413 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.568 5.382 9.350 1.00 0.00 H new ATOM 1132 N SER A 72 -3.721 1.249 5.111 1.00 0.00 N ATOM 1133 CA SER A 72 -5.004 0.713 4.651 1.00 0.00 C ATOM 1134 C SER A 72 -5.695 -0.122 5.735 1.00 0.00 C ATOM 1135 O SER A 72 -6.544 0.380 6.473 1.00 0.00 O ATOM 1136 CB SER A 72 -4.802 -0.127 3.387 1.00 0.00 C ATOM 1137 OG SER A 72 -3.432 -0.430 3.190 1.00 0.00 O ATOM 0 H SER A 72 -3.579 2.235 4.893 1.00 0.00 H new ATOM 0 HA SER A 72 -5.652 1.559 4.423 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.375 -1.051 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.186 0.414 2.522 1.00 0.00 H new ATOM 0 HG SER A 72 -3.332 -0.987 2.390 1.00 0.00 H new ATOM 1143 N ALA A 73 -5.330 -1.399 5.813 1.00 0.00 N ATOM 1144 CA ALA A 73 -5.903 -2.326 6.784 1.00 0.00 C ATOM 1145 C ALA A 73 -6.007 -1.718 8.181 1.00 0.00 C ATOM 1146 O ALA A 73 -7.104 -1.589 8.724 1.00 0.00 O ATOM 1147 CB ALA A 73 -5.076 -3.602 6.827 1.00 0.00 C ATOM 0 H ALA A 73 -4.628 -1.820 5.204 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.918 -2.553 6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.507 -4.291 7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.074 -4.068 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.053 -3.363 7.117 1.00 0.00 H new ATOM 1153 N LEU A 74 -4.869 -1.355 8.766 1.00 0.00 N ATOM 1154 CA LEU A 74 -4.861 -0.779 10.099 1.00 0.00 C ATOM 1155 C LEU A 74 -4.887 0.739 10.042 1.00 0.00 C ATOM 1156 O LEU A 74 -5.779 1.372 10.605 1.00 0.00 O ATOM 1157 CB LEU A 74 -3.631 -1.252 10.879 1.00 0.00 C ATOM 1158 CG LEU A 74 -3.876 -1.535 12.363 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -5.026 -2.515 12.538 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -2.612 -2.073 13.016 1.00 0.00 C ATOM 0 H LEU A 74 -3.948 -1.450 8.338 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.761 -1.117 10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.248 -2.159 10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.851 -0.495 10.793 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.146 -0.599 12.852 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.185 -2.704 13.600 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.933 -2.093 12.105 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.786 -3.452 12.035 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.803 -2.269 14.071 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.313 -2.998 12.523 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.813 -1.338 12.922 1.00 0.00 H new ATOM 1172 N SER A 75 -3.895 1.330 9.378 1.00 0.00 N ATOM 1173 CA SER A 75 -3.821 2.779 9.288 1.00 0.00 C ATOM 1174 C SER A 75 -3.600 3.372 10.674 1.00 0.00 C ATOM 1175 O SER A 75 -3.784 4.571 10.888 1.00 0.00 O ATOM 1176 CB SER A 75 -5.099 3.351 8.670 1.00 0.00 C ATOM 1177 OG SER A 75 -5.540 2.557 7.583 1.00 0.00 O ATOM 0 H SER A 75 -3.143 0.832 8.902 1.00 0.00 H new ATOM 0 HA SER A 75 -2.982 3.044 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.881 3.403 9.427 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.917 4.370 8.329 1.00 0.00 H new ATOM 0 HG SER A 75 -6.106 1.830 7.917 1.00 0.00 H new ATOM 1183 N GLN A 76 -3.206 2.516 11.615 1.00 0.00 N ATOM 1184 CA GLN A 76 -2.965 2.947 12.984 1.00 0.00 C ATOM 1185 C GLN A 76 -1.478 3.198 13.223 1.00 0.00 C ATOM 1186 O GLN A 76 -1.021 4.339 13.185 1.00 0.00 O ATOM 1187 CB GLN A 76 -3.498 1.901 13.969 1.00 0.00 C ATOM 1188 CG GLN A 76 -4.997 1.662 13.854 1.00 0.00 C ATOM 1189 CD GLN A 76 -5.794 2.952 13.814 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -6.135 3.518 14.854 1.00 0.00 O ATOM 1191 NE2 GLN A 76 -6.096 3.424 12.610 1.00 0.00 N ATOM 0 H GLN A 76 -3.048 1.522 11.451 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.496 3.885 13.147 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.975 0.959 13.804 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.267 2.220 14.985 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.201 1.086 12.951 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.331 1.060 14.699 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.793 2.923 11.775 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.631 4.288 12.520 1.00 0.00 H new ATOM 1200 N VAL A 77 -0.727 2.129 13.474 1.00 0.00 N ATOM 1201 CA VAL A 77 0.705 2.253 13.722 1.00 0.00 C ATOM 1202 C VAL A 77 1.504 1.122 13.073 1.00 0.00 C ATOM 1203 O VAL A 77 2.730 1.090 13.175 1.00 0.00 O ATOM 1204 CB VAL A 77 1.008 2.277 15.231 1.00 0.00 C ATOM 1205 CG1 VAL A 77 2.467 2.627 15.479 1.00 0.00 C ATOM 1206 CG2 VAL A 77 0.086 3.258 15.942 1.00 0.00 C ATOM 0 H VAL A 77 -1.084 1.174 13.511 1.00 0.00 H new ATOM 0 HA VAL A 77 1.011 3.197 13.272 1.00 0.00 H new ATOM 0 HB VAL A 77 0.826 1.282 15.637 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.661 2.639 16.552 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.106 1.883 15.003 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.681 3.610 15.061 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.313 3.263 17.008 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.235 4.258 15.534 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.951 2.956 15.793 1.00 0.00 H new ATOM 1216 N ARG A 78 0.815 0.195 12.411 1.00 0.00 N ATOM 1217 CA ARG A 78 1.481 -0.923 11.750 1.00 0.00 C ATOM 1218 C ARG A 78 2.095 -0.501 10.421 1.00 0.00 C ATOM 1219 O ARG A 78 3.060 -1.110 9.962 1.00 0.00 O ATOM 1220 CB ARG A 78 0.510 -2.088 11.545 1.00 0.00 C ATOM 1221 CG ARG A 78 0.275 -2.911 12.803 1.00 0.00 C ATOM 1222 CD ARG A 78 1.579 -3.432 13.385 1.00 0.00 C ATOM 1223 NE ARG A 78 1.352 -4.443 14.417 1.00 0.00 N ATOM 1224 CZ ARG A 78 2.306 -4.914 15.216 1.00 0.00 C ATOM 1225 NH1 ARG A 78 3.553 -4.470 15.108 1.00 0.00 N ATOM 1226 NH2 ARG A 78 2.013 -5.832 16.128 1.00 0.00 N ATOM 0 H ARG A 78 -0.201 0.196 12.319 1.00 0.00 H new ATOM 0 HA ARG A 78 2.290 -1.254 12.401 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.445 -1.697 11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.897 -2.739 10.761 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.237 -2.301 13.547 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.381 -3.750 12.572 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.188 -3.858 12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.144 -2.602 13.809 1.00 0.00 H new ATOM 0 HE ARG A 78 0.407 -4.809 14.531 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.784 -3.764 14.409 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.280 -4.835 15.724 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.057 -6.176 16.216 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.744 -6.194 16.741 1.00 0.00 H new ATOM 1240 N GLY A 79 1.538 0.545 9.803 1.00 0.00 N ATOM 1241 CA GLY A 79 2.066 1.019 8.530 1.00 0.00 C ATOM 1242 C GLY A 79 3.589 1.053 8.533 1.00 0.00 C ATOM 1243 O GLY A 79 4.233 0.462 7.667 1.00 0.00 O ATOM 0 H GLY A 79 0.738 1.068 10.158 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.717 0.370 7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.679 2.017 8.324 1.00 0.00 H new ATOM 1247 N PRO A 80 4.194 1.724 9.532 1.00 0.00 N ATOM 1248 CA PRO A 80 5.646 1.794 9.659 1.00 0.00 C ATOM 1249 C PRO A 80 6.246 0.396 9.669 1.00 0.00 C ATOM 1250 O PRO A 80 7.284 0.152 9.055 1.00 0.00 O ATOM 1251 CB PRO A 80 5.864 2.485 11.008 1.00 0.00 C ATOM 1252 CG PRO A 80 4.606 3.243 11.253 1.00 0.00 C ATOM 1253 CD PRO A 80 3.506 2.438 10.617 1.00 0.00 C ATOM 0 HA PRO A 80 6.119 2.326 8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.049 1.759 11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.727 3.150 10.977 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.429 3.370 12.321 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.661 4.241 10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.050 1.748 11.327 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.709 3.076 10.236 1.00 0.00 H new ATOM 1261 N THR A 81 5.561 -0.536 10.340 1.00 0.00 N ATOM 1262 CA THR A 81 6.020 -1.917 10.378 1.00 0.00 C ATOM 1263 C THR A 81 6.006 -2.479 8.964 1.00 0.00 C ATOM 1264 O THR A 81 6.854 -3.289 8.587 1.00 0.00 O ATOM 1265 CB THR A 81 5.123 -2.762 11.281 1.00 0.00 C ATOM 1266 OG1 THR A 81 4.364 -1.939 12.149 1.00 0.00 O ATOM 1267 CG2 THR A 81 5.888 -3.749 12.135 1.00 0.00 C ATOM 0 H THR A 81 4.699 -0.357 10.856 1.00 0.00 H new ATOM 0 HA THR A 81 7.032 -1.946 10.782 1.00 0.00 H new ATOM 0 HB THR A 81 4.478 -3.320 10.602 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.185 -2.421 12.983 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.189 -4.315 12.751 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.442 -4.433 11.492 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.584 -3.211 12.778 1.00 0.00 H new ATOM 1275 N CYS A 82 5.037 -2.011 8.178 1.00 0.00 N ATOM 1276 CA CYS A 82 4.896 -2.422 6.792 1.00 0.00 C ATOM 1277 C CYS A 82 6.169 -2.080 6.031 1.00 0.00 C ATOM 1278 O CYS A 82 6.732 -2.916 5.323 1.00 0.00 O ATOM 1279 CB CYS A 82 3.692 -1.714 6.166 1.00 0.00 C ATOM 1280 SG CYS A 82 2.599 -2.790 5.217 1.00 0.00 S ATOM 0 H CYS A 82 4.334 -1.340 8.487 1.00 0.00 H new ATOM 0 HA CYS A 82 4.733 -3.499 6.742 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.114 -1.239 6.959 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.053 -0.919 5.514 1.00 0.00 H new ATOM 0 HG CYS A 82 1.615 -2.092 4.734 1.00 0.00 H new ATOM 1286 N ALA A 83 6.632 -0.845 6.213 1.00 0.00 N ATOM 1287 CA ALA A 83 7.861 -0.402 5.571 1.00 0.00 C ATOM 1288 C ALA A 83 9.022 -1.237 6.084 1.00 0.00 C ATOM 1289 O ALA A 83 9.929 -1.594 5.333 1.00 0.00 O ATOM 1290 CB ALA A 83 8.100 1.078 5.826 1.00 0.00 C ATOM 0 H ALA A 83 6.177 -0.141 6.795 1.00 0.00 H new ATOM 0 HA ALA A 83 7.773 -0.538 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.024 1.387 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.267 1.655 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.181 1.254 6.899 1.00 0.00 H new ATOM 1296 N ARG A 84 8.959 -1.585 7.370 1.00 0.00 N ATOM 1297 CA ARG A 84 9.978 -2.426 7.973 1.00 0.00 C ATOM 1298 C ARG A 84 10.028 -3.738 7.207 1.00 0.00 C ATOM 1299 O ARG A 84 11.088 -4.332 7.017 1.00 0.00 O ATOM 1300 CB ARG A 84 9.665 -2.686 9.449 1.00 0.00 C ATOM 1301 CG ARG A 84 10.553 -1.912 10.409 1.00 0.00 C ATOM 1302 CD ARG A 84 10.801 -2.693 11.689 1.00 0.00 C ATOM 1303 NE ARG A 84 11.862 -3.686 11.530 1.00 0.00 N ATOM 1304 CZ ARG A 84 13.143 -3.378 11.342 1.00 0.00 C ATOM 1305 NH1 ARG A 84 13.527 -2.109 11.281 1.00 0.00 N ATOM 1306 NH2 ARG A 84 14.044 -4.343 11.213 1.00 0.00 N ATOM 0 H ARG A 84 8.215 -1.296 8.006 1.00 0.00 H new ATOM 0 HA ARG A 84 10.944 -1.924 7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.624 -2.426 9.641 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.770 -3.752 9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.505 -1.689 9.927 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.086 -0.957 10.649 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.068 -2.002 12.489 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.881 -3.192 11.993 1.00 0.00 H new ATOM 0 HE ARG A 84 11.606 -4.673 11.565 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.839 -1.363 11.378 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.510 -1.880 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.755 -5.320 11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.026 -4.108 11.069 1.00 0.00 H new ATOM 1320 N ARG A 85 8.852 -4.161 6.749 1.00 0.00 N ATOM 1321 CA ARG A 85 8.723 -5.378 5.975 1.00 0.00 C ATOM 1322 C ARG A 85 9.473 -5.238 4.662 1.00 0.00 C ATOM 1323 O ARG A 85 10.166 -6.159 4.229 1.00 0.00 O ATOM 1324 CB ARG A 85 7.254 -5.682 5.713 1.00 0.00 C ATOM 1325 CG ARG A 85 6.922 -7.154 5.852 1.00 0.00 C ATOM 1326 CD ARG A 85 6.336 -7.728 4.573 1.00 0.00 C ATOM 1327 NE ARG A 85 5.474 -6.785 3.858 1.00 0.00 N ATOM 1328 CZ ARG A 85 4.374 -6.228 4.368 1.00 0.00 C ATOM 1329 NH1 ARG A 85 4.022 -6.442 5.629 1.00 0.00 N ATOM 1330 NH2 ARG A 85 3.628 -5.440 3.610 1.00 0.00 N ATOM 0 H ARG A 85 7.972 -3.669 6.906 1.00 0.00 H new ATOM 0 HA ARG A 85 9.153 -6.204 6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.640 -5.109 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.993 -5.349 4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.824 -7.706 6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.213 -7.290 6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.149 -8.037 3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.763 -8.623 4.814 1.00 0.00 H new ATOM 0 HE ARG A 85 5.732 -6.536 2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.595 -7.040 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.178 -6.009 6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.895 -5.262 2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.786 -5.011 3.994 1.00 0.00 H new ATOM 1344 N LEU A 86 9.362 -4.058 4.045 1.00 0.00 N ATOM 1345 CA LEU A 86 10.072 -3.804 2.800 1.00 0.00 C ATOM 1346 C LEU A 86 11.558 -4.006 3.060 1.00 0.00 C ATOM 1347 O LEU A 86 12.281 -4.590 2.254 1.00 0.00 O ATOM 1348 CB LEU A 86 9.806 -2.377 2.308 1.00 0.00 C ATOM 1349 CG LEU A 86 9.444 -2.256 0.827 1.00 0.00 C ATOM 1350 CD1 LEU A 86 10.572 -2.784 -0.044 1.00 0.00 C ATOM 1351 CD2 LEU A 86 8.149 -2.999 0.533 1.00 0.00 C ATOM 0 H LEU A 86 8.797 -3.280 4.384 1.00 0.00 H new ATOM 0 HA LEU A 86 9.726 -4.489 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.996 -1.951 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.693 -1.773 2.499 1.00 0.00 H new ATOM 0 HG LEU A 86 9.297 -1.201 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.296 -2.689 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.478 -2.209 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.752 -3.833 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.906 -2.902 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.269 -4.053 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.342 -2.574 1.130 1.00 0.00 H new ATOM 1363 N VAL A 87 11.978 -3.549 4.236 1.00 0.00 N ATOM 1364 CA VAL A 87 13.352 -3.700 4.679 1.00 0.00 C ATOM 1365 C VAL A 87 13.662 -5.178 4.883 1.00 0.00 C ATOM 1366 O VAL A 87 14.780 -5.627 4.642 1.00 0.00 O ATOM 1367 CB VAL A 87 13.616 -2.937 5.991 1.00 0.00 C ATOM 1368 CG1 VAL A 87 15.104 -2.902 6.299 1.00 0.00 C ATOM 1369 CG2 VAL A 87 13.048 -1.527 5.911 1.00 0.00 C ATOM 0 H VAL A 87 11.375 -3.066 4.903 1.00 0.00 H new ATOM 0 HA VAL A 87 13.999 -3.280 3.909 1.00 0.00 H new ATOM 0 HB VAL A 87 13.113 -3.462 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 87 15.270 -2.359 7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 87 15.478 -3.921 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.632 -2.401 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.243 -1.002 6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.521 -0.990 5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.972 -1.577 5.741 1.00 0.00 H new ATOM 1379 N ASN A 88 12.656 -5.923 5.349 1.00 0.00 N ATOM 1380 CA ASN A 88 12.801 -7.356 5.607 1.00 0.00 C ATOM 1381 C ASN A 88 13.218 -8.102 4.345 1.00 0.00 C ATOM 1382 O ASN A 88 14.209 -8.833 4.348 1.00 0.00 O ATOM 1383 CB ASN A 88 11.475 -7.923 6.155 1.00 0.00 C ATOM 1384 CG ASN A 88 10.900 -9.060 5.312 1.00 0.00 C ATOM 1385 OD1 ASN A 88 11.491 -10.134 5.226 1.00 0.00 O ATOM 1386 ND2 ASN A 88 9.744 -8.827 4.682 1.00 0.00 N ATOM 0 H ASN A 88 11.728 -5.554 5.556 1.00 0.00 H new ATOM 0 HA ASN A 88 13.586 -7.496 6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 88 11.636 -8.281 7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 88 10.742 -7.118 6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.322 -9.555 4.105 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.284 -7.922 4.779 1.00 0.00 H new ATOM 1393 N TYR A 89 12.470 -7.910 3.263 1.00 0.00 N ATOM 1394 CA TYR A 89 12.797 -8.573 2.003 1.00 0.00 C ATOM 1395 C TYR A 89 14.141 -8.076 1.512 1.00 0.00 C ATOM 1396 O TYR A 89 15.008 -8.865 1.138 1.00 0.00 O ATOM 1397 CB TYR A 89 11.698 -8.319 0.970 1.00 0.00 C ATOM 1398 CG TYR A 89 12.017 -8.684 -0.478 1.00 0.00 C ATOM 1399 CD1 TYR A 89 13.203 -8.293 -1.090 1.00 0.00 C ATOM 1400 CD2 TYR A 89 11.081 -9.376 -1.252 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.458 -8.588 -2.410 1.00 0.00 C ATOM 1402 CE2 TYR A 89 11.323 -9.670 -2.580 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.526 -9.272 -3.152 1.00 0.00 C ATOM 1404 OH TYR A 89 12.800 -9.546 -4.470 1.00 0.00 O ATOM 0 H TYR A 89 11.645 -7.311 3.231 1.00 0.00 H new ATOM 0 HA TYR A 89 12.860 -9.650 2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.811 -8.876 1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.437 -7.261 1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.939 -7.747 -0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.150 -9.687 -0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.390 -8.282 -2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.588 -10.202 -3.166 1.00 0.00 H new ATOM 0 HH TYR A 89 13.109 -10.472 -4.554 1.00 0.00 H new ATOM 1414 N LEU A 90 14.318 -6.757 1.528 1.00 0.00 N ATOM 1415 CA LEU A 90 15.575 -6.169 1.095 1.00 0.00 C ATOM 1416 C LEU A 90 16.715 -6.799 1.882 1.00 0.00 C ATOM 1417 O LEU A 90 17.808 -7.013 1.364 1.00 0.00 O ATOM 1418 CB LEU A 90 15.558 -4.651 1.295 1.00 0.00 C ATOM 1419 CG LEU A 90 15.215 -3.839 0.045 1.00 0.00 C ATOM 1420 CD1 LEU A 90 13.857 -4.251 -0.502 1.00 0.00 C ATOM 1421 CD2 LEU A 90 15.236 -2.349 0.354 1.00 0.00 C ATOM 0 H LEU A 90 13.614 -6.085 1.833 1.00 0.00 H new ATOM 0 HA LEU A 90 15.717 -6.363 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.836 -4.410 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.537 -4.336 1.657 1.00 0.00 H new ATOM 0 HG LEU A 90 15.969 -4.043 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.629 -3.663 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.875 -5.309 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.092 -4.076 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.990 -1.787 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.504 -2.128 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.229 -2.063 0.700 1.00 0.00 H new ATOM 1433 N ASP A 91 16.426 -7.123 3.137 1.00 0.00 N ATOM 1434 CA ASP A 91 17.390 -7.764 4.017 1.00 0.00 C ATOM 1435 C ASP A 91 17.639 -9.203 3.573 1.00 0.00 C ATOM 1436 O ASP A 91 18.736 -9.737 3.745 1.00 0.00 O ATOM 1437 CB ASP A 91 16.879 -7.747 5.460 1.00 0.00 C ATOM 1438 CG ASP A 91 18.001 -7.889 6.471 1.00 0.00 C ATOM 1439 OD1 ASP A 91 18.912 -8.710 6.237 1.00 0.00 O ATOM 1440 OD2 ASP A 91 17.969 -7.179 7.499 1.00 0.00 O ATOM 0 H ASP A 91 15.519 -6.949 3.570 1.00 0.00 H new ATOM 0 HA ASP A 91 18.328 -7.212 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.345 -6.815 5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.163 -8.557 5.599 1.00 0.00 H new ATOM 1445 N GLU A 92 16.601 -9.829 3.020 1.00 0.00 N ATOM 1446 CA GLU A 92 16.690 -11.215 2.575 1.00 0.00 C ATOM 1447 C GLU A 92 17.454 -11.353 1.259 1.00 0.00 C ATOM 1448 O GLU A 92 18.017 -12.411 0.978 1.00 0.00 O ATOM 1449 CB GLU A 92 15.286 -11.804 2.420 1.00 0.00 C ATOM 1450 CG GLU A 92 15.277 -13.309 2.209 1.00 0.00 C ATOM 1451 CD GLU A 92 13.984 -13.805 1.592 1.00 0.00 C ATOM 1452 OE1 GLU A 92 13.466 -13.132 0.675 1.00 0.00 O ATOM 1453 OE2 GLU A 92 13.488 -14.867 2.024 1.00 0.00 O ATOM 0 H GLU A 92 15.689 -9.396 2.870 1.00 0.00 H new ATOM 0 HA GLU A 92 17.244 -11.765 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.701 -11.567 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.791 -11.324 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.112 -13.587 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.433 -13.807 3.166 1.00 0.00 H new ATOM 1460 N LYS A 93 17.463 -10.301 0.444 1.00 0.00 N ATOM 1461 CA LYS A 93 18.156 -10.359 -0.839 1.00 0.00 C ATOM 1462 C LYS A 93 19.117 -9.186 -1.031 1.00 0.00 C ATOM 1463 O LYS A 93 20.291 -9.386 -1.342 1.00 0.00 O ATOM 1464 CB LYS A 93 17.144 -10.398 -1.985 1.00 0.00 C ATOM 1465 CG LYS A 93 16.754 -11.809 -2.402 1.00 0.00 C ATOM 1466 CD LYS A 93 17.643 -12.326 -3.522 1.00 0.00 C ATOM 1467 CE LYS A 93 19.103 -12.380 -3.099 1.00 0.00 C ATOM 1468 NZ LYS A 93 19.339 -13.398 -2.037 1.00 0.00 N ATOM 0 H LYS A 93 17.006 -9.412 0.645 1.00 0.00 H new ATOM 0 HA LYS A 93 18.750 -11.273 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.247 -9.855 -1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.561 -9.875 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.825 -12.476 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.714 -11.819 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.313 -13.321 -3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.540 -11.682 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.723 -12.609 -3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.412 -11.400 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.828 -12.954 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.428 -13.784 -1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.926 -14.167 -2.418 1.00 0.00 H new ATOM 1482 N LYS A 94 18.612 -7.967 -0.861 1.00 0.00 N ATOM 1483 CA LYS A 94 19.426 -6.761 -1.029 1.00 0.00 C ATOM 1484 C LYS A 94 20.193 -6.786 -2.351 1.00 0.00 C ATOM 1485 O LYS A 94 21.304 -6.263 -2.443 1.00 0.00 O ATOM 1486 CB LYS A 94 20.408 -6.595 0.142 1.00 0.00 C ATOM 1487 CG LYS A 94 21.560 -7.590 0.139 1.00 0.00 C ATOM 1488 CD LYS A 94 22.783 -7.034 0.853 1.00 0.00 C ATOM 1489 CE LYS A 94 24.021 -7.097 -0.027 1.00 0.00 C ATOM 1490 NZ LYS A 94 25.272 -7.174 0.777 1.00 0.00 N ATOM 0 H LYS A 94 17.641 -7.785 -0.606 1.00 0.00 H new ATOM 0 HA LYS A 94 18.746 -5.910 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.816 -5.585 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.859 -6.695 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.244 -8.514 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.821 -7.842 -0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 94 22.596 -6.001 1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 94 22.958 -7.598 1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.957 -7.966 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 94 24.055 -6.216 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 26.093 -7.215 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 25.347 -6.333 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 25.251 -8.028 1.370 1.00 0.00 H new ATOM 1504 N GLU A 95 19.597 -7.398 -3.370 1.00 0.00 N ATOM 1505 CA GLU A 95 20.233 -7.489 -4.679 1.00 0.00 C ATOM 1506 C GLU A 95 19.212 -7.360 -5.801 1.00 0.00 C ATOM 1507 O GLU A 95 19.397 -7.904 -6.889 1.00 0.00 O ATOM 1508 CB GLU A 95 20.981 -8.815 -4.809 1.00 0.00 C ATOM 1509 CG GLU A 95 22.334 -8.686 -5.490 1.00 0.00 C ATOM 1510 CD GLU A 95 22.362 -9.341 -6.856 1.00 0.00 C ATOM 1511 OE1 GLU A 95 22.596 -10.566 -6.922 1.00 0.00 O ATOM 1512 OE2 GLU A 95 22.151 -8.628 -7.860 1.00 0.00 O ATOM 0 H GLU A 95 18.678 -7.837 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 95 20.940 -6.664 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 95 21.123 -9.242 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.365 -9.516 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 95 22.587 -7.631 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 95 23.099 -9.137 -4.859 1.00 0.00 H new ATOM 1519 N ASP A 96 18.136 -6.635 -5.531 1.00 0.00 N ATOM 1520 CA ASP A 96 17.088 -6.434 -6.524 1.00 0.00 C ATOM 1521 C ASP A 96 16.091 -5.373 -6.073 1.00 0.00 C ATOM 1522 O ASP A 96 14.985 -5.692 -5.637 1.00 0.00 O ATOM 1523 CB ASP A 96 16.360 -7.752 -6.802 1.00 0.00 C ATOM 1524 CG ASP A 96 16.753 -8.356 -8.137 1.00 0.00 C ATOM 1525 OD1 ASP A 96 16.206 -7.918 -9.171 1.00 0.00 O ATOM 1526 OD2 ASP A 96 17.607 -9.267 -8.148 1.00 0.00 O ATOM 0 H ASP A 96 17.965 -6.177 -4.636 1.00 0.00 H new ATOM 0 HA ASP A 96 17.562 -6.085 -7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.582 -8.462 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 96 15.284 -7.580 -6.786 1.00 0.00 H new ATOM 1531 N THR A 97 16.481 -4.108 -6.196 1.00 0.00 N ATOM 1532 CA THR A 97 15.609 -3.004 -5.811 1.00 0.00 C ATOM 1533 C THR A 97 14.416 -2.924 -6.758 1.00 0.00 C ATOM 1534 O THR A 97 14.371 -3.629 -7.767 1.00 0.00 O ATOM 1535 CB THR A 97 16.384 -1.684 -5.828 1.00 0.00 C ATOM 1536 OG1 THR A 97 17.511 -1.775 -6.682 1.00 0.00 O ATOM 1537 CG2 THR A 97 16.878 -1.264 -4.459 1.00 0.00 C ATOM 0 H THR A 97 17.391 -3.823 -6.558 1.00 0.00 H new ATOM 0 HA THR A 97 15.245 -3.182 -4.799 1.00 0.00 H new ATOM 0 HB THR A 97 15.676 -0.937 -6.187 1.00 0.00 H new ATOM 0 HG1 THR A 97 17.992 -0.921 -6.681 1.00 0.00 H new ATOM 0 HG21 THR A 97 17.419 -0.321 -4.541 1.00 0.00 H new ATOM 0 HG22 THR A 97 16.028 -1.138 -3.788 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.543 -2.031 -4.061 1.00 0.00 H new ATOM 1545 N GLY A 98 13.450 -2.071 -6.432 1.00 0.00 N ATOM 1546 CA GLY A 98 12.279 -1.940 -7.278 1.00 0.00 C ATOM 1547 C GLY A 98 11.402 -0.759 -6.910 1.00 0.00 C ATOM 1548 O GLY A 98 10.902 -0.058 -7.791 1.00 0.00 O ATOM 0 H GLY A 98 13.456 -1.474 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.598 -1.837 -8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.690 -2.855 -7.215 1.00 0.00 H new ATOM 1552 N ILE A 99 11.209 -0.531 -5.615 1.00 0.00 N ATOM 1553 CA ILE A 99 10.376 0.583 -5.167 1.00 0.00 C ATOM 1554 C ILE A 99 11.015 1.914 -5.516 1.00 0.00 C ATOM 1555 O ILE A 99 12.227 2.088 -5.395 1.00 0.00 O ATOM 1556 CB ILE A 99 10.102 0.576 -3.646 1.00 0.00 C ATOM 1557 CG1 ILE A 99 11.237 -0.105 -2.875 1.00 0.00 C ATOM 1558 CG2 ILE A 99 8.766 -0.082 -3.338 1.00 0.00 C ATOM 1559 CD1 ILE A 99 11.418 0.437 -1.474 1.00 0.00 C ATOM 0 H ILE A 99 11.611 -1.093 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 99 9.428 0.454 -5.689 1.00 0.00 H new ATOM 0 HB ILE A 99 10.055 1.614 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.039 -1.175 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.168 0.019 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.596 -0.075 -2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.967 0.467 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.776 -1.111 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 99 12.237 -0.088 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.647 1.502 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.500 0.289 -0.905 1.00 0.00 H new ATOM 1571 N LYS A 100 10.186 2.856 -5.938 1.00 0.00 N ATOM 1572 CA LYS A 100 10.664 4.183 -6.291 1.00 0.00 C ATOM 1573 C LYS A 100 10.392 5.175 -5.163 1.00 0.00 C ATOM 1574 O LYS A 100 11.277 5.938 -4.775 1.00 0.00 O ATOM 1575 CB LYS A 100 10.010 4.665 -7.589 1.00 0.00 C ATOM 1576 CG LYS A 100 11.004 5.215 -8.601 1.00 0.00 C ATOM 1577 CD LYS A 100 11.851 6.330 -8.008 1.00 0.00 C ATOM 1578 CE LYS A 100 13.334 6.104 -8.265 1.00 0.00 C ATOM 1579 NZ LYS A 100 14.007 5.439 -7.115 1.00 0.00 N ATOM 0 H LYS A 100 9.180 2.726 -6.044 1.00 0.00 H new ATOM 0 HA LYS A 100 11.741 4.123 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.464 3.837 -8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.279 5.438 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.653 4.411 -8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.467 5.590 -9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.548 7.285 -8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.672 6.392 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.457 5.493 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.817 7.061 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.037 5.560 -7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.678 5.867 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.777 4.425 -7.117 1.00 0.00 H new ATOM 1593 N ASN A 101 9.165 5.168 -4.638 1.00 0.00 N ATOM 1594 CA ASN A 101 8.804 6.080 -3.557 1.00 0.00 C ATOM 1595 C ASN A 101 7.664 5.538 -2.693 1.00 0.00 C ATOM 1596 O ASN A 101 6.588 5.227 -3.197 1.00 0.00 O ATOM 1597 CB ASN A 101 8.403 7.432 -4.139 1.00 0.00 C ATOM 1598 CG ASN A 101 9.534 8.445 -4.106 1.00 0.00 C ATOM 1599 OD1 ASN A 101 9.709 9.224 -5.043 1.00 0.00 O ATOM 1600 ND2 ASN A 101 10.311 8.444 -3.026 1.00 0.00 N ATOM 0 H ASN A 101 8.414 4.548 -4.941 1.00 0.00 H new ATOM 0 HA ASN A 101 9.679 6.187 -2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 101 8.073 7.296 -5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.553 7.825 -3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.084 9.105 -2.954 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.133 7.782 -2.270 1.00 0.00 H new ATOM 1607 N ILE A 102 7.898 5.447 -1.386 1.00 0.00 N ATOM 1608 CA ILE A 102 6.879 4.962 -0.461 1.00 0.00 C ATOM 1609 C ILE A 102 6.187 6.109 0.293 1.00 0.00 C ATOM 1610 O ILE A 102 6.814 7.033 0.781 1.00 0.00 O ATOM 1611 CB ILE A 102 7.475 3.953 0.542 1.00 0.00 C ATOM 1612 CG1 ILE A 102 8.379 4.663 1.555 1.00 0.00 C ATOM 1613 CG2 ILE A 102 8.247 2.876 -0.206 1.00 0.00 C ATOM 1614 CD1 ILE A 102 9.201 3.724 2.416 1.00 0.00 C ATOM 0 H ILE A 102 8.782 5.702 -0.945 1.00 0.00 H new ATOM 0 HA ILE A 102 6.124 4.457 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 102 6.660 3.483 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.053 5.331 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.762 5.286 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.666 2.166 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.575 2.353 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.054 3.336 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.813 4.305 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.535 3.073 2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.846 3.118 1.780 1.00 0.00 H new ATOM 1626 N MET A 103 4.872 6.027 0.376 1.00 0.00 N ATOM 1627 CA MET A 103 4.095 7.045 1.060 1.00 0.00 C ATOM 1628 C MET A 103 3.251 6.434 2.174 1.00 0.00 C ATOM 1629 O MET A 103 3.145 5.220 2.299 1.00 0.00 O ATOM 1630 CB MET A 103 3.189 7.788 0.068 1.00 0.00 C ATOM 1631 CG MET A 103 3.162 7.175 -1.327 1.00 0.00 C ATOM 1632 SD MET A 103 2.116 8.090 -2.476 1.00 0.00 S ATOM 1633 CE MET A 103 0.490 7.749 -1.806 1.00 0.00 C ATOM 0 H MET A 103 4.320 5.267 -0.021 1.00 0.00 H new ATOM 0 HA MET A 103 4.793 7.754 1.504 1.00 0.00 H new ATOM 0 HB2 MET A 103 2.174 7.808 0.464 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.522 8.823 -0.008 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.178 7.136 -1.721 1.00 0.00 H new ATOM 0 HG3 MET A 103 2.806 6.147 -1.260 1.00 0.00 H new ATOM 0 HE1 MET A 103 -0.258 8.320 -2.357 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.274 6.684 -1.898 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.462 8.035 -0.755 1.00 0.00 H new ATOM 1643 N ILE A 104 2.648 7.292 2.982 1.00 0.00 N ATOM 1644 CA ILE A 104 1.796 6.830 4.075 1.00 0.00 C ATOM 1645 C ILE A 104 0.457 7.570 4.065 1.00 0.00 C ATOM 1646 O ILE A 104 0.412 8.798 4.134 1.00 0.00 O ATOM 1647 CB ILE A 104 2.486 6.986 5.447 1.00 0.00 C ATOM 1648 CG1 ILE A 104 1.611 6.396 6.564 1.00 0.00 C ATOM 1649 CG2 ILE A 104 2.821 8.440 5.721 1.00 0.00 C ATOM 1650 CD1 ILE A 104 0.639 7.383 7.184 1.00 0.00 C ATOM 0 H ILE A 104 2.729 8.306 2.906 1.00 0.00 H new ATOM 0 HA ILE A 104 1.613 5.767 3.917 1.00 0.00 H new ATOM 0 HB ILE A 104 3.422 6.429 5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.048 5.554 6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.259 6.002 7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.306 8.525 6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.493 8.811 4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.905 9.031 5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.061 6.885 7.962 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.193 8.215 7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.037 7.760 6.416 1.00 0.00 H new ATOM 1662 N LEU A 105 -0.631 6.804 3.955 1.00 0.00 N ATOM 1663 CA LEU A 105 -1.976 7.376 3.908 1.00 0.00 C ATOM 1664 C LEU A 105 -2.467 7.800 5.291 1.00 0.00 C ATOM 1665 O LEU A 105 -2.237 7.121 6.289 1.00 0.00 O ATOM 1666 CB LEU A 105 -2.987 6.422 3.221 1.00 0.00 C ATOM 1667 CG LEU A 105 -3.161 4.997 3.789 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -2.027 4.083 3.353 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.299 5.000 5.301 1.00 0.00 C ATOM 0 H LEU A 105 -0.605 5.786 3.897 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.910 8.276 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.963 6.907 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.695 6.328 2.175 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.090 4.605 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.181 3.088 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.007 4.021 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.079 4.484 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.419 3.977 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.406 5.437 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.171 5.588 5.586 1.00 0.00 H new ATOM 1681 N GLU A 106 -3.128 8.953 5.341 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.644 9.488 6.596 1.00 0.00 C ATOM 1683 C GLU A 106 -5.054 8.970 6.897 1.00 0.00 C ATOM 1684 O GLU A 106 -5.684 9.407 7.860 1.00 0.00 O ATOM 1685 CB GLU A 106 -3.656 11.017 6.554 1.00 0.00 C ATOM 1686 CG GLU A 106 -2.338 11.625 6.102 1.00 0.00 C ATOM 1687 CD GLU A 106 -1.527 12.181 7.255 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -2.093 12.944 8.066 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -0.325 11.852 7.349 1.00 0.00 O ATOM 0 H GLU A 106 -3.319 9.535 4.525 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.982 9.148 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.448 11.347 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.900 11.397 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.752 10.867 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.537 12.421 5.385 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.550 8.043 6.076 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.886 7.489 6.282 1.00 0.00 C ATOM 1698 C ARG A 107 -6.994 6.064 5.738 1.00 0.00 C ATOM 1699 O ARG A 107 -7.556 5.184 6.391 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.949 8.397 5.642 1.00 0.00 C ATOM 1701 CG ARG A 107 -8.094 8.243 4.133 1.00 0.00 C ATOM 1702 CD ARG A 107 -6.960 8.925 3.386 1.00 0.00 C ATOM 1703 NE ARG A 107 -6.473 8.118 2.269 1.00 0.00 N ATOM 1704 CZ ARG A 107 -7.184 7.861 1.171 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -8.413 8.345 1.039 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -6.662 7.120 0.204 1.00 0.00 N ATOM 0 H ARG A 107 -5.052 7.664 5.271 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.065 7.444 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.912 8.190 6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -7.703 9.435 5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.114 7.184 3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.046 8.667 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.301 9.891 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.139 9.122 4.075 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.533 7.728 2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.818 8.917 1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.952 8.145 0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.717 6.747 0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.205 6.923 -0.637 1.00 0.00 H new ATOM 1720 N GLY A 108 -6.453 5.841 4.545 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.505 4.520 3.946 1.00 0.00 C ATOM 1722 C GLY A 108 -7.924 4.045 3.689 1.00 0.00 C ATOM 1723 O GLY A 108 -8.548 4.438 2.704 1.00 0.00 O ATOM 0 H GLY A 108 -5.981 6.549 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.955 4.531 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.002 3.809 4.601 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.430 3.187 4.572 1.00 0.00 N ATOM 1728 CA PHE A 109 -9.784 2.647 4.429 1.00 0.00 C ATOM 1729 C PHE A 109 -10.536 2.625 5.760 1.00 0.00 C ATOM 1730 O PHE A 109 -11.704 2.238 5.811 1.00 0.00 O ATOM 1731 CB PHE A 109 -9.727 1.228 3.859 1.00 0.00 C ATOM 1732 CG PHE A 109 -9.146 1.152 2.478 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -9.933 1.404 1.366 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -7.813 0.826 2.292 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -9.399 1.333 0.093 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -7.275 0.752 1.023 1.00 0.00 C ATOM 1737 CZ PHE A 109 -8.069 1.005 -0.079 1.00 0.00 C ATOM 0 H PHE A 109 -7.926 2.850 5.392 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.323 3.304 3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.135 0.602 4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -10.735 0.813 3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -10.975 1.659 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -7.187 0.627 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -10.022 1.534 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -6.234 0.496 0.892 1.00 0.00 H new ATOM 0 HZ PHE A 109 -7.650 0.946 -1.073 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.867 3.032 6.836 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.485 3.041 8.156 1.00 0.00 C ATOM 1749 C ASN A 110 -11.742 3.901 8.158 1.00 0.00 C ATOM 1750 O ASN A 110 -12.802 3.467 8.601 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.492 3.559 9.199 1.00 0.00 C ATOM 1752 CG ASN A 110 -10.063 3.556 10.605 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -9.952 4.541 11.334 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -10.680 2.445 10.991 1.00 0.00 N ATOM 0 H ASN A 110 -8.901 3.358 6.819 1.00 0.00 H new ATOM 0 HA ASN A 110 -10.767 2.019 8.410 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.593 2.943 9.175 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.191 4.573 8.936 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.085 2.385 11.925 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.749 1.652 10.353 1.00 0.00 H new ATOM 1761 N GLY A 111 -11.616 5.115 7.648 1.00 0.00 N ATOM 1762 CA GLY A 111 -12.739 6.013 7.582 1.00 0.00 C ATOM 1763 C GLY A 111 -13.801 5.534 6.620 1.00 0.00 C ATOM 1764 O GLY A 111 -14.983 5.761 6.838 1.00 0.00 O ATOM 0 H GLY A 111 -10.745 5.494 7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.174 6.121 8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.394 7.001 7.276 1.00 0.00 H new ATOM 1768 N TRP A 112 -13.389 4.872 5.544 1.00 0.00 N ATOM 1769 CA TRP A 112 -14.355 4.393 4.565 1.00 0.00 C ATOM 1770 C TRP A 112 -15.272 3.339 5.169 1.00 0.00 C ATOM 1771 O TRP A 112 -16.492 3.475 5.127 1.00 0.00 O ATOM 1772 CB TRP A 112 -13.640 3.816 3.345 1.00 0.00 C ATOM 1773 CG TRP A 112 -14.602 3.345 2.309 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -15.485 2.320 2.440 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -14.797 3.887 1.000 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -16.228 2.192 1.303 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -15.823 3.140 0.395 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -14.206 4.930 0.282 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -16.274 3.406 -0.897 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -14.653 5.191 -0.999 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -15.679 4.433 -1.577 1.00 0.00 C ATOM 0 H TRP A 112 -12.415 4.659 5.331 1.00 0.00 H new ATOM 0 HA TRP A 112 -14.962 5.244 4.255 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -12.986 4.575 2.915 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -13.005 2.986 3.655 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -15.584 1.697 3.317 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -16.965 1.504 1.152 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -13.415 5.521 0.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -17.065 2.822 -1.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -14.203 5.994 -1.565 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -16.007 4.664 -2.580 1.00 0.00 H new ATOM 1792 N GLU A 113 -14.691 2.303 5.754 1.00 0.00 N ATOM 1793 CA GLU A 113 -15.490 1.260 6.377 1.00 0.00 C ATOM 1794 C GLU A 113 -16.204 1.804 7.618 1.00 0.00 C ATOM 1795 O GLU A 113 -17.406 1.622 7.796 1.00 0.00 O ATOM 1796 CB GLU A 113 -14.609 0.065 6.751 1.00 0.00 C ATOM 1797 CG GLU A 113 -15.338 -1.014 7.539 1.00 0.00 C ATOM 1798 CD GLU A 113 -14.396 -2.062 8.098 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -13.455 -2.461 7.378 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -14.598 -2.487 9.256 1.00 0.00 O ATOM 0 H GLU A 113 -13.682 2.163 5.810 1.00 0.00 H new ATOM 0 HA GLU A 113 -16.242 0.927 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -14.204 -0.375 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.762 0.420 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -15.889 -0.552 8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -16.072 -1.497 6.894 1.00 0.00 H new ATOM 1807 N ALA A 114 -15.427 2.449 8.482 1.00 0.00 N ATOM 1808 CA ALA A 114 -15.927 3.009 9.739 1.00 0.00 C ATOM 1809 C ALA A 114 -16.904 4.180 9.567 1.00 0.00 C ATOM 1810 O ALA A 114 -17.830 4.327 10.364 1.00 0.00 O ATOM 1811 CB ALA A 114 -14.755 3.443 10.605 1.00 0.00 C ATOM 0 H ALA A 114 -14.429 2.600 8.333 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.496 2.213 10.219 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.128 3.860 11.540 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.122 2.582 10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.173 4.199 10.078 1.00 0.00 H new ATOM 1817 N SER A 115 -16.689 5.034 8.566 1.00 0.00 N ATOM 1818 CA SER A 115 -17.562 6.202 8.374 1.00 0.00 C ATOM 1819 C SER A 115 -18.839 5.869 7.616 1.00 0.00 C ATOM 1820 O SER A 115 -19.342 6.678 6.837 1.00 0.00 O ATOM 1821 CB SER A 115 -16.824 7.341 7.669 1.00 0.00 C ATOM 1822 OG SER A 115 -15.582 7.612 8.295 1.00 0.00 O ATOM 0 H SER A 115 -15.934 4.946 7.885 1.00 0.00 H new ATOM 0 HA SER A 115 -17.848 6.526 9.375 1.00 0.00 H new ATOM 0 HB2 SER A 115 -16.658 7.078 6.624 1.00 0.00 H new ATOM 0 HB3 SER A 115 -17.442 8.239 7.678 1.00 0.00 H new ATOM 0 HG SER A 115 -15.028 6.803 8.287 1.00 0.00 H new ATOM 1828 N GLY A 116 -19.365 4.685 7.863 1.00 0.00 N ATOM 1829 CA GLY A 116 -20.595 4.271 7.210 1.00 0.00 C ATOM 1830 C GLY A 116 -20.427 2.981 6.450 1.00 0.00 C ATOM 1831 O GLY A 116 -21.395 2.268 6.188 1.00 0.00 O ATOM 0 H GLY A 116 -18.967 3.998 8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -21.379 4.151 7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -20.923 5.054 6.526 1.00 0.00 H new ATOM 1835 N LYS A 117 -19.188 2.681 6.102 1.00 0.00 N ATOM 1836 CA LYS A 117 -18.875 1.463 5.370 1.00 0.00 C ATOM 1837 C LYS A 117 -19.618 1.395 4.036 1.00 0.00 C ATOM 1838 O LYS A 117 -20.335 0.430 3.767 1.00 0.00 O ATOM 1839 CB LYS A 117 -19.222 0.233 6.210 1.00 0.00 C ATOM 1840 CG LYS A 117 -18.507 -1.026 5.753 1.00 0.00 C ATOM 1841 CD LYS A 117 -18.637 -2.145 6.774 1.00 0.00 C ATOM 1842 CE LYS A 117 -18.558 -3.512 6.114 1.00 0.00 C ATOM 1843 NZ LYS A 117 -19.482 -4.491 6.750 1.00 0.00 N ATOM 0 H LYS A 117 -18.379 3.265 6.315 1.00 0.00 H new ATOM 0 HA LYS A 117 -17.805 1.476 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -18.968 0.429 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -20.298 0.066 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -18.920 -1.354 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.453 -0.806 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.847 -2.053 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -19.586 -2.049 7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -18.801 -3.418 5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.536 -3.886 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.397 -5.410 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -19.235 -4.600 7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -20.460 -4.148 6.670 1.00 0.00 H new ATOM 1857 N PRO A 118 -19.437 2.400 3.163 1.00 0.00 N ATOM 1858 CA PRO A 118 -20.071 2.415 1.852 1.00 0.00 C ATOM 1859 C PRO A 118 -19.274 1.573 0.865 1.00 0.00 C ATOM 1860 O PRO A 118 -18.807 2.066 -0.162 1.00 0.00 O ATOM 1861 CB PRO A 118 -20.039 3.892 1.469 1.00 0.00 C ATOM 1862 CG PRO A 118 -18.825 4.434 2.145 1.00 0.00 C ATOM 1863 CD PRO A 118 -18.579 3.580 3.367 1.00 0.00 C ATOM 0 HA PRO A 118 -21.079 1.999 1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.980 4.019 0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -20.940 4.407 1.802 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -17.966 4.405 1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.974 5.476 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -17.529 3.299 3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.842 4.110 4.283 1.00 0.00 H new ATOM 1871 N VAL A 119 -19.110 0.298 1.205 1.00 0.00 N ATOM 1872 CA VAL A 119 -18.354 -0.636 0.378 1.00 0.00 C ATOM 1873 C VAL A 119 -19.289 -1.341 -0.608 1.00 0.00 C ATOM 1874 O VAL A 119 -20.461 -1.547 -0.303 1.00 0.00 O ATOM 1875 CB VAL A 119 -17.556 -1.664 1.244 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -17.823 -1.470 2.730 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -17.856 -3.101 0.831 1.00 0.00 C ATOM 0 H VAL A 119 -19.494 -0.114 2.055 1.00 0.00 H new ATOM 0 HA VAL A 119 -17.618 -0.067 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 119 -16.498 -1.476 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -17.252 -2.202 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -17.523 -0.465 3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -18.886 -1.604 2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -17.283 -3.786 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -18.920 -3.301 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -17.580 -3.245 -0.214 1.00 0.00 H new ATOM 1887 N CYS A 120 -18.761 -1.677 -1.798 1.00 0.00 N ATOM 1888 CA CYS A 120 -19.545 -2.337 -2.869 1.00 0.00 C ATOM 1889 C CYS A 120 -20.898 -2.883 -2.378 1.00 0.00 C ATOM 1890 O CYS A 120 -21.834 -2.112 -2.161 1.00 0.00 O ATOM 1891 CB CYS A 120 -18.708 -3.449 -3.492 1.00 0.00 C ATOM 1892 SG CYS A 120 -19.455 -4.329 -4.880 1.00 0.00 S ATOM 0 H CYS A 120 -17.788 -1.503 -2.048 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.780 -1.581 -3.618 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -17.764 -3.020 -3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -18.470 -4.175 -2.715 1.00 0.00 H new ATOM 0 HG CYS A 120 -19.436 -5.607 -4.644 1.00 0.00 H new ATOM 1897 N ARG A 121 -21.001 -4.208 -2.207 1.00 0.00 N ATOM 1898 CA ARG A 121 -22.240 -4.842 -1.748 1.00 0.00 C ATOM 1899 C ARG A 121 -22.169 -6.356 -1.934 1.00 0.00 C ATOM 1900 O ARG A 121 -22.443 -7.123 -1.011 1.00 0.00 O ATOM 1901 CB ARG A 121 -23.458 -4.297 -2.509 1.00 0.00 C ATOM 1902 CG ARG A 121 -24.632 -3.951 -1.607 1.00 0.00 C ATOM 1903 CD ARG A 121 -24.855 -2.450 -1.531 1.00 0.00 C ATOM 1904 NE ARG A 121 -23.895 -1.799 -0.644 1.00 0.00 N ATOM 1905 CZ ARG A 121 -24.091 -0.609 -0.085 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -25.212 0.064 -0.313 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -23.164 -0.089 0.707 1.00 0.00 N ATOM 0 H ARG A 121 -20.237 -4.862 -2.381 1.00 0.00 H new ATOM 0 HA ARG A 121 -22.353 -4.610 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -23.161 -3.407 -3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -23.779 -5.037 -3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -25.534 -4.435 -1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -24.451 -4.344 -0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.775 -2.021 -2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -25.867 -2.251 -1.179 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.022 -2.286 -0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.930 -0.331 -0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -25.356 0.977 0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.301 -0.602 0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.314 0.824 1.136 1.00 0.00 H new ATOM 1921 N CYS A 122 -21.810 -6.772 -3.146 1.00 0.00 N ATOM 1922 CA CYS A 122 -21.706 -8.187 -3.493 1.00 0.00 C ATOM 1923 C CYS A 122 -20.707 -8.919 -2.596 1.00 0.00 C ATOM 1924 O CYS A 122 -20.714 -8.757 -1.377 1.00 0.00 O ATOM 1925 CB CYS A 122 -21.284 -8.318 -4.957 1.00 0.00 C ATOM 1926 SG CYS A 122 -19.663 -7.594 -5.313 1.00 0.00 S ATOM 0 H CYS A 122 -21.584 -6.140 -3.914 1.00 0.00 H new ATOM 0 HA CYS A 122 -22.682 -8.647 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -21.269 -9.373 -5.229 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -22.033 -7.838 -5.587 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.890 -7.731 -4.277 1.00 0.00 H new ATOM 1931 N ALA A 123 -19.855 -9.731 -3.217 1.00 0.00 N ATOM 1932 CA ALA A 123 -18.848 -10.492 -2.494 1.00 0.00 C ATOM 1933 C ALA A 123 -17.968 -11.285 -3.457 1.00 0.00 C ATOM 1934 O ALA A 123 -17.570 -12.411 -3.160 1.00 0.00 O ATOM 1935 CB ALA A 123 -19.512 -11.427 -1.493 1.00 0.00 C ATOM 0 H ALA A 123 -19.845 -9.877 -4.226 1.00 0.00 H new ATOM 0 HA ALA A 123 -18.213 -9.790 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -18.747 -11.991 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -20.096 -10.843 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -20.169 -12.118 -2.021 1.00 0.00 H new ATOM 1941 N GLU A 124 -17.668 -10.697 -4.616 1.00 0.00 N ATOM 1942 CA GLU A 124 -16.835 -11.373 -5.610 1.00 0.00 C ATOM 1943 C GLU A 124 -16.166 -10.387 -6.573 1.00 0.00 C ATOM 1944 O GLU A 124 -16.136 -9.181 -6.333 1.00 0.00 O ATOM 1945 CB GLU A 124 -17.661 -12.402 -6.401 1.00 0.00 C ATOM 1946 CG GLU A 124 -19.146 -12.412 -6.063 1.00 0.00 C ATOM 1947 CD GLU A 124 -19.953 -13.273 -7.016 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -19.581 -14.449 -7.213 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -20.956 -12.772 -7.567 1.00 0.00 O ATOM 0 H GLU A 124 -17.985 -9.766 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 124 -16.045 -11.888 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -17.545 -12.201 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -17.253 -13.396 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -19.281 -12.778 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -19.528 -11.391 -6.088 1.00 0.00 H new ATOM 1956 N VAL A 125 -15.612 -10.933 -7.657 1.00 0.00 N ATOM 1957 CA VAL A 125 -14.909 -10.149 -8.682 1.00 0.00 C ATOM 1958 C VAL A 125 -15.563 -8.786 -8.969 1.00 0.00 C ATOM 1959 O VAL A 125 -14.865 -7.771 -9.007 1.00 0.00 O ATOM 1960 CB VAL A 125 -14.737 -10.951 -10.009 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -15.796 -12.041 -10.162 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -14.741 -10.026 -11.222 1.00 0.00 C ATOM 0 H VAL A 125 -15.637 -11.934 -7.852 1.00 0.00 H new ATOM 0 HA VAL A 125 -13.924 -9.948 -8.260 1.00 0.00 H new ATOM 0 HB VAL A 125 -13.765 -11.441 -9.955 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -15.637 -12.573 -11.100 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -15.720 -12.741 -9.330 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -16.787 -11.587 -10.166 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.619 -10.616 -12.130 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.687 -9.486 -11.264 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -13.920 -9.314 -11.139 1.00 0.00 H new ATOM 1972 N PRO A 126 -16.897 -8.730 -9.196 1.00 0.00 N ATOM 1973 CA PRO A 126 -17.607 -7.480 -9.496 1.00 0.00 C ATOM 1974 C PRO A 126 -17.052 -6.252 -8.773 1.00 0.00 C ATOM 1975 O PRO A 126 -17.169 -5.132 -9.270 1.00 0.00 O ATOM 1976 CB PRO A 126 -19.018 -7.788 -9.012 1.00 0.00 C ATOM 1977 CG PRO A 126 -19.197 -9.239 -9.299 1.00 0.00 C ATOM 1978 CD PRO A 126 -17.828 -9.878 -9.205 1.00 0.00 C ATOM 0 HA PRO A 126 -17.522 -7.215 -10.550 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.129 -7.576 -7.949 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -19.759 -7.184 -9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -19.884 -9.692 -8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -19.625 -9.387 -10.291 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -17.729 -10.479 -8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -17.638 -10.540 -10.050 1.00 0.00 H new ATOM 1986 N CYS A 127 -16.462 -6.463 -7.598 1.00 0.00 N ATOM 1987 CA CYS A 127 -15.900 -5.368 -6.812 1.00 0.00 C ATOM 1988 C CYS A 127 -14.865 -4.573 -7.612 1.00 0.00 C ATOM 1989 O CYS A 127 -14.964 -4.483 -8.834 1.00 0.00 O ATOM 1990 CB CYS A 127 -15.299 -5.922 -5.527 1.00 0.00 C ATOM 1991 SG CYS A 127 -16.462 -6.919 -4.584 1.00 0.00 S ATOM 0 H CYS A 127 -16.361 -7.383 -7.170 1.00 0.00 H new ATOM 0 HA CYS A 127 -16.701 -4.674 -6.558 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -14.425 -6.526 -5.771 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -14.952 -5.095 -4.908 1.00 0.00 H new ATOM 0 HG CYS A 127 -17.631 -6.873 -5.150 1.00 0.00 H new ATOM 1996 N LYS A 128 -13.886 -3.964 -6.932 1.00 0.00 N ATOM 1997 CA LYS A 128 -12.894 -3.157 -7.636 1.00 0.00 C ATOM 1998 C LYS A 128 -11.449 -3.561 -7.378 1.00 0.00 C ATOM 1999 O LYS A 128 -10.651 -3.612 -8.314 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.041 -1.672 -7.258 1.00 0.00 C ATOM 2001 CG LYS A 128 -14.429 -1.108 -7.520 1.00 0.00 C ATOM 2002 CD LYS A 128 -14.540 -0.520 -8.918 1.00 0.00 C ATOM 2003 CE LYS A 128 -14.773 -1.598 -9.963 1.00 0.00 C ATOM 2004 NZ LYS A 128 -13.500 -2.036 -10.601 1.00 0.00 N ATOM 0 H LYS A 128 -13.764 -4.014 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 128 -13.099 -3.329 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -12.803 -1.550 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -12.310 -1.090 -7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -15.172 -1.896 -7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -14.655 -0.338 -6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -15.359 0.198 -8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -13.628 0.027 -9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -15.260 -2.455 -9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -15.452 -1.222 -10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -13.516 -3.067 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -13.395 -1.568 -11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -12.699 -1.779 -9.990 1.00 0.00 H new ATOM 2018 N GLY A 129 -11.064 -3.703 -6.109 1.00 0.00 N ATOM 2019 CA GLY A 129 -9.660 -3.920 -5.830 1.00 0.00 C ATOM 2020 C GLY A 129 -9.004 -2.600 -6.130 1.00 0.00 C ATOM 2021 O GLY A 129 -7.800 -2.478 -6.360 1.00 0.00 O ATOM 0 H GLY A 129 -11.679 -3.673 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.503 -4.214 -4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -9.251 -4.716 -6.452 1.00 0.00 H new