USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 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 28 SER OG : rot 130:sc= 0.724 USER MOD Set 1.2: A 39 LYS NZ :NH3+ 146:sc= -0.501 (180deg=-0.948) USER MOD Set 2.1: A 32 CYS SG : rot -156:sc= -2.41! USER MOD Set 2.2: A 35 CYS SG : rot 117:sc= 0.763! USER MOD Set 2.3: A 74 THR OG1 : rot 180:sc= 0.0623 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -7.13! C(o=-7.1!,f=-12!) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.018) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00946) USER MOD Single : A 37 MET CE :methyl -177:sc= 0 (180deg=-0.00824) USER MOD Single : A 43 HIS : no HE2:sc= -2.66! C(o=-2.7!,f=-8.3!) USER MOD Single : A 44 SER OG : rot -101:sc= 0.559 USER MOD Single : A 46 SER OG : rot -159:sc= -2.73! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc=0.000697 USER MOD Single : A 51 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.69) USER MOD Single : A 62 CYS SG : rot -16:sc= 0.284 USER MOD Single : A 63 GLN : amide:sc= -0.0243 K(o=-0.024,f=1.2) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 153:sc= -0.322 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 98:sc= 0.0951 USER MOD Single : A 78 GLN : amide:sc= -5.36! C(o=-5.4!,f=-18!) USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0371) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.978 X(o=-0.98,f=-0.64) USER MOD Single : A 85 LYS NZ :NH3+ 173:sc= 0.168 (180deg=0.151) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 144:sc= 0.933 (180deg=0.712) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 78:sc= 0.0959 USER MOD Single : A 102 ASN : amide:sc= -2.5! C(o=-2.5!,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.316 -0.275 9.285 1.00 0.39 N ATOM 21 CA VAL A 2 -3.174 -0.414 8.334 1.00 0.23 C ATOM 22 C VAL A 2 -2.302 -1.607 8.733 1.00 0.39 C ATOM 23 O VAL A 2 -2.237 -1.965 9.893 1.00 0.57 O ATOM 24 CB VAL A 2 -2.344 0.866 8.369 1.00 0.31 C ATOM 25 CG1 VAL A 2 -1.298 0.818 7.253 1.00 0.39 C ATOM 26 CG2 VAL A 2 -3.265 2.066 8.145 1.00 0.48 C ATOM 0 HA VAL A 2 -3.555 -0.581 7.327 1.00 0.23 H new ATOM 0 HB VAL A 2 -1.847 0.958 9.335 1.00 0.31 H new ATOM 0 HG11 VAL A 2 -0.702 1.730 7.273 1.00 0.39 H new ATOM 0 HG12 VAL A 2 -0.647 -0.044 7.401 1.00 0.39 H new ATOM 0 HG13 VAL A 2 -1.799 0.733 6.288 1.00 0.39 H new ATOM 0 HG21 VAL A 2 -2.678 2.984 8.169 1.00 0.48 H new ATOM 0 HG22 VAL A 2 -3.754 1.973 7.175 1.00 0.48 H new ATOM 0 HG23 VAL A 2 -4.020 2.097 8.931 1.00 0.48 H new ATOM 36 N LYS A 3 -1.650 -2.193 7.759 1.00 0.47 N ATOM 37 CA LYS A 3 -0.775 -3.370 8.053 1.00 0.76 C ATOM 38 C LYS A 3 0.689 -3.016 7.788 1.00 0.48 C ATOM 39 O LYS A 3 0.985 -2.173 6.966 1.00 0.26 O ATOM 40 CB LYS A 3 -1.193 -4.535 7.153 1.00 1.08 C ATOM 41 CG LYS A 3 -0.744 -5.854 7.793 1.00 1.43 C ATOM 42 CD LYS A 3 -1.849 -6.364 8.725 1.00 1.31 C ATOM 43 CE LYS A 3 -1.387 -7.659 9.398 1.00 1.21 C ATOM 44 NZ LYS A 3 -1.620 -7.594 10.870 1.00 1.54 N ATOM 0 H LYS A 3 -1.685 -1.910 6.780 1.00 0.47 H new ATOM 0 HA LYS A 3 -0.883 -3.651 9.101 1.00 0.76 H new ATOM 0 HB2 LYS A 3 -2.274 -4.534 7.015 1.00 1.08 H new ATOM 0 HB3 LYS A 3 -0.745 -4.426 6.165 1.00 1.08 H new ATOM 0 HG2 LYS A 3 -0.533 -6.594 7.021 1.00 1.43 H new ATOM 0 HG3 LYS A 3 0.180 -5.705 8.352 1.00 1.43 H new ATOM 0 HD2 LYS A 3 -2.080 -5.612 9.479 1.00 1.31 H new ATOM 0 HD3 LYS A 3 -2.764 -6.541 8.160 1.00 1.31 H new ATOM 0 HE2 LYS A 3 -1.925 -8.507 8.976 1.00 1.21 H new ATOM 0 HE3 LYS A 3 -0.328 -7.822 9.198 1.00 1.21 H new ATOM 0 HZ1 LYS A 3 -1.301 -8.480 11.311 1.00 1.54 H new ATOM 0 HZ2 LYS A 3 -1.087 -6.796 11.271 1.00 1.54 H new ATOM 0 HZ3 LYS A 3 -2.635 -7.460 11.055 1.00 1.54 H new ATOM 58 N GLN A 4 1.570 -3.673 8.499 1.00 0.91 N ATOM 59 CA GLN A 4 3.029 -3.398 8.321 1.00 0.79 C ATOM 60 C GLN A 4 3.754 -4.663 7.854 1.00 0.69 C ATOM 61 O GLN A 4 3.602 -5.718 8.436 1.00 0.81 O ATOM 62 CB GLN A 4 3.613 -2.945 9.657 1.00 1.14 C ATOM 63 CG GLN A 4 5.052 -2.475 9.444 1.00 1.10 C ATOM 64 CD GLN A 4 5.601 -1.916 10.758 1.00 1.82 C ATOM 65 OE1 GLN A 4 4.869 -1.678 11.697 1.00 2.79 O ATOM 66 NE2 GLN A 4 6.882 -1.694 10.865 1.00 1.86 N ATOM 0 H GLN A 4 1.344 -4.386 9.193 1.00 0.91 H new ATOM 0 HA GLN A 4 3.160 -2.620 7.569 1.00 0.79 H new ATOM 0 HB2 GLN A 4 3.012 -2.137 10.075 1.00 1.14 H new ATOM 0 HB3 GLN A 4 3.588 -3.765 10.375 1.00 1.14 H new ATOM 0 HG2 GLN A 4 5.671 -3.304 9.102 1.00 1.10 H new ATOM 0 HG3 GLN A 4 5.086 -1.710 8.668 1.00 1.10 H new ATOM 0 HE21 GLN A 4 7.501 -1.892 10.079 1.00 1.86 H new ATOM 0 HE22 GLN A 4 7.264 -1.322 11.735 1.00 1.86 H new ATOM 75 N ILE A 5 4.525 -4.524 6.809 1.00 0.48 N ATOM 76 CA ILE A 5 5.276 -5.702 6.285 1.00 0.40 C ATOM 77 C ILE A 5 6.726 -5.653 6.781 1.00 0.36 C ATOM 78 O ILE A 5 7.132 -4.703 7.420 1.00 0.36 O ATOM 79 CB ILE A 5 5.254 -5.660 4.749 1.00 0.30 C ATOM 80 CG1 ILE A 5 3.802 -5.471 4.262 1.00 0.35 C ATOM 81 CG2 ILE A 5 5.841 -6.968 4.179 1.00 0.33 C ATOM 82 CD1 ILE A 5 2.893 -6.540 4.882 1.00 0.41 C ATOM 0 H ILE A 5 4.667 -3.652 6.298 1.00 0.48 H new ATOM 0 HA ILE A 5 4.812 -6.623 6.637 1.00 0.40 H new ATOM 0 HB ILE A 5 5.860 -4.824 4.400 1.00 0.30 H new ATOM 0 HG12 ILE A 5 3.446 -4.478 4.534 1.00 0.35 H new ATOM 0 HG13 ILE A 5 3.764 -5.537 3.175 1.00 0.35 H new ATOM 0 HG21 ILE A 5 5.822 -6.931 3.090 1.00 0.33 H new ATOM 0 HG22 ILE A 5 6.870 -7.084 4.520 1.00 0.33 H new ATOM 0 HG23 ILE A 5 5.247 -7.814 4.524 1.00 0.33 H new ATOM 0 HD11 ILE A 5 1.871 -6.397 4.531 1.00 0.41 H new ATOM 0 HD12 ILE A 5 3.242 -7.530 4.588 1.00 0.41 H new ATOM 0 HD13 ILE A 5 2.919 -6.454 5.968 1.00 0.41 H new ATOM 94 N GLU A 6 7.475 -6.678 6.480 1.00 0.36 N ATOM 95 CA GLU A 6 8.897 -6.701 6.930 1.00 0.34 C ATOM 96 C GLU A 6 9.769 -7.421 5.895 1.00 0.38 C ATOM 97 O GLU A 6 10.910 -7.061 5.682 1.00 0.43 O ATOM 98 CB GLU A 6 8.982 -7.430 8.266 1.00 0.36 C ATOM 99 CG GLU A 6 8.022 -8.615 8.244 1.00 1.47 C ATOM 100 CD GLU A 6 6.634 -8.151 8.690 1.00 2.68 C ATOM 101 OE1 GLU A 6 6.582 -7.524 9.736 1.00 2.54 O ATOM 102 OE2 GLU A 6 5.703 -8.449 7.960 1.00 4.09 O ATOM 0 H GLU A 6 7.169 -7.493 5.948 1.00 0.36 H new ATOM 0 HA GLU A 6 9.258 -5.678 7.040 1.00 0.34 H new ATOM 0 HB2 GLU A 6 10.001 -7.774 8.444 1.00 0.36 H new ATOM 0 HB3 GLU A 6 8.727 -6.753 9.082 1.00 0.36 H new ATOM 0 HG2 GLU A 6 7.971 -9.038 7.241 1.00 1.47 H new ATOM 0 HG3 GLU A 6 8.384 -9.403 8.904 1.00 1.47 H new ATOM 109 N SER A 7 9.211 -8.424 5.274 1.00 0.37 N ATOM 110 CA SER A 7 9.989 -9.181 4.249 1.00 0.42 C ATOM 111 C SER A 7 9.064 -9.615 3.103 1.00 0.47 C ATOM 112 O SER A 7 7.895 -9.286 3.089 1.00 0.46 O ATOM 113 CB SER A 7 10.612 -10.414 4.902 1.00 0.52 C ATOM 114 OG SER A 7 9.546 -11.350 4.964 1.00 1.09 O ATOM 0 H SER A 7 8.257 -8.751 5.429 1.00 0.37 H new ATOM 0 HA SER A 7 10.774 -8.542 3.846 1.00 0.42 H new ATOM 0 HB2 SER A 7 11.446 -10.798 4.314 1.00 0.52 H new ATOM 0 HB3 SER A 7 11.000 -10.186 5.895 1.00 0.52 H new ATOM 0 HG SER A 7 9.864 -12.181 5.374 1.00 1.09 H new ATOM 120 N LYS A 8 9.610 -10.345 2.167 1.00 0.53 N ATOM 121 CA LYS A 8 8.772 -10.804 1.018 1.00 0.60 C ATOM 122 C LYS A 8 7.962 -12.037 1.411 1.00 0.70 C ATOM 123 O LYS A 8 6.749 -12.052 1.307 1.00 0.51 O ATOM 124 CB LYS A 8 9.681 -11.140 -0.163 1.00 0.82 C ATOM 125 CG LYS A 8 8.814 -11.491 -1.377 1.00 0.97 C ATOM 126 CD LYS A 8 9.711 -11.740 -2.595 1.00 1.60 C ATOM 127 CE LYS A 8 10.098 -13.218 -2.640 1.00 0.81 C ATOM 128 NZ LYS A 8 11.243 -13.428 -3.569 1.00 1.95 N ATOM 0 H LYS A 8 10.586 -10.641 2.146 1.00 0.53 H new ATOM 0 HA LYS A 8 8.081 -10.008 0.738 1.00 0.60 H new ATOM 0 HB2 LYS A 8 10.327 -10.293 -0.394 1.00 0.82 H new ATOM 0 HB3 LYS A 8 10.332 -11.977 0.089 1.00 0.82 H new ATOM 0 HG2 LYS A 8 8.216 -12.378 -1.166 1.00 0.97 H new ATOM 0 HG3 LYS A 8 8.117 -10.679 -1.586 1.00 0.97 H new ATOM 0 HD2 LYS A 8 9.188 -11.461 -3.510 1.00 1.60 H new ATOM 0 HD3 LYS A 8 10.605 -11.119 -2.536 1.00 1.60 H new ATOM 0 HE2 LYS A 8 10.365 -13.561 -1.640 1.00 0.81 H new ATOM 0 HE3 LYS A 8 9.245 -13.814 -2.964 1.00 0.81 H new ATOM 0 HZ1 LYS A 8 11.494 -14.437 -3.588 1.00 1.95 H new ATOM 0 HZ2 LYS A 8 10.975 -13.119 -4.525 1.00 1.95 H new ATOM 0 HZ3 LYS A 8 12.061 -12.874 -3.243 1.00 1.95 H new ATOM 142 N THR A 9 8.649 -13.040 1.854 1.00 1.04 N ATOM 143 CA THR A 9 7.949 -14.288 2.266 1.00 1.23 C ATOM 144 C THR A 9 6.742 -13.935 3.125 1.00 1.09 C ATOM 145 O THR A 9 5.745 -14.625 3.125 1.00 1.10 O ATOM 146 CB THR A 9 8.911 -15.159 3.072 1.00 1.53 C ATOM 147 OG1 THR A 9 9.923 -15.539 2.143 1.00 1.71 O ATOM 148 CG2 THR A 9 8.254 -16.465 3.511 1.00 1.66 C ATOM 0 H THR A 9 9.664 -13.056 1.951 1.00 1.04 H new ATOM 0 HA THR A 9 7.615 -14.830 1.381 1.00 1.23 H new ATOM 0 HB THR A 9 9.256 -14.615 3.951 1.00 1.53 H new ATOM 0 HG1 THR A 9 10.585 -16.105 2.593 1.00 1.71 H new ATOM 0 HG21 THR A 9 8.969 -17.058 4.082 1.00 1.66 H new ATOM 0 HG22 THR A 9 7.387 -16.245 4.133 1.00 1.66 H new ATOM 0 HG23 THR A 9 7.937 -17.026 2.632 1.00 1.66 H new ATOM 156 N ALA A 10 6.873 -12.870 3.844 1.00 1.00 N ATOM 157 CA ALA A 10 5.750 -12.424 4.705 1.00 0.98 C ATOM 158 C ALA A 10 4.724 -11.672 3.860 1.00 0.69 C ATOM 159 O ALA A 10 3.538 -11.871 3.995 1.00 0.56 O ATOM 160 CB ALA A 10 6.288 -11.504 5.797 1.00 1.07 C ATOM 0 H ALA A 10 7.708 -12.285 3.876 1.00 1.00 H new ATOM 0 HA ALA A 10 5.272 -13.291 5.161 1.00 0.98 H new ATOM 0 HB1 ALA A 10 5.466 -11.174 6.432 1.00 1.07 H new ATOM 0 HB2 ALA A 10 7.018 -12.043 6.400 1.00 1.07 H new ATOM 0 HB3 ALA A 10 6.764 -10.637 5.340 1.00 1.07 H new ATOM 166 N PHE A 11 5.203 -10.818 3.007 1.00 0.60 N ATOM 167 CA PHE A 11 4.264 -10.061 2.141 1.00 0.34 C ATOM 168 C PHE A 11 3.246 -11.034 1.531 1.00 0.25 C ATOM 169 O PHE A 11 2.168 -10.644 1.130 1.00 0.12 O ATOM 170 CB PHE A 11 5.063 -9.376 1.034 1.00 0.22 C ATOM 171 CG PHE A 11 4.113 -8.633 0.094 1.00 0.17 C ATOM 172 CD1 PHE A 11 3.392 -7.541 0.543 1.00 0.28 C ATOM 173 CD2 PHE A 11 3.963 -9.042 -1.218 1.00 0.24 C ATOM 174 CE1 PHE A 11 2.538 -6.871 -0.307 1.00 0.41 C ATOM 175 CE2 PHE A 11 3.110 -8.371 -2.065 1.00 0.36 C ATOM 176 CZ PHE A 11 2.398 -7.288 -1.610 1.00 0.44 C ATOM 0 H PHE A 11 6.193 -10.612 2.872 1.00 0.60 H new ATOM 0 HA PHE A 11 3.732 -9.309 2.724 1.00 0.34 H new ATOM 0 HB2 PHE A 11 5.779 -8.678 1.468 1.00 0.22 H new ATOM 0 HB3 PHE A 11 5.637 -10.116 0.476 1.00 0.22 H new ATOM 0 HD1 PHE A 11 3.499 -7.211 1.566 1.00 0.28 H new ATOM 0 HD2 PHE A 11 4.519 -9.894 -1.581 1.00 0.24 H new ATOM 0 HE1 PHE A 11 1.979 -6.019 0.050 1.00 0.41 H new ATOM 0 HE2 PHE A 11 3.000 -8.697 -3.089 1.00 0.36 H new ATOM 0 HZ PHE A 11 1.728 -6.764 -2.276 1.00 0.44 H new ATOM 186 N GLN A 12 3.624 -12.286 1.476 1.00 0.35 N ATOM 187 CA GLN A 12 2.700 -13.317 0.905 1.00 0.36 C ATOM 188 C GLN A 12 1.596 -13.673 1.904 1.00 0.31 C ATOM 189 O GLN A 12 0.440 -13.356 1.702 1.00 0.27 O ATOM 190 CB GLN A 12 3.498 -14.587 0.579 1.00 0.51 C ATOM 191 CG GLN A 12 4.222 -14.429 -0.765 1.00 0.63 C ATOM 192 CD GLN A 12 5.339 -13.395 -0.628 1.00 2.15 C ATOM 193 OE1 GLN A 12 6.470 -13.725 -0.337 1.00 3.17 O ATOM 194 NE2 GLN A 12 5.067 -12.138 -0.832 1.00 3.24 N ATOM 0 H GLN A 12 4.525 -12.639 1.799 1.00 0.35 H new ATOM 0 HA GLN A 12 2.244 -12.909 0.003 1.00 0.36 H new ATOM 0 HB2 GLN A 12 4.222 -14.783 1.370 1.00 0.51 H new ATOM 0 HB3 GLN A 12 2.828 -15.446 0.541 1.00 0.51 H new ATOM 0 HG2 GLN A 12 4.636 -15.386 -1.081 1.00 0.63 H new ATOM 0 HG3 GLN A 12 3.516 -14.117 -1.535 1.00 0.63 H new ATOM 0 HE21 GLN A 12 4.118 -11.855 -1.077 1.00 3.24 H new ATOM 0 HE22 GLN A 12 5.803 -11.437 -0.747 1.00 3.24 H new ATOM 203 N GLU A 13 1.982 -14.327 2.960 1.00 0.70 N ATOM 204 CA GLU A 13 0.973 -14.745 3.981 1.00 0.72 C ATOM 205 C GLU A 13 0.068 -13.569 4.366 1.00 0.59 C ATOM 206 O GLU A 13 -1.025 -13.760 4.860 1.00 0.55 O ATOM 207 CB GLU A 13 1.699 -15.291 5.220 1.00 1.02 C ATOM 208 CG GLU A 13 2.292 -14.139 6.039 1.00 0.96 C ATOM 209 CD GLU A 13 1.379 -13.847 7.232 1.00 2.02 C ATOM 210 OE1 GLU A 13 0.194 -13.703 6.984 1.00 2.70 O ATOM 211 OE2 GLU A 13 1.919 -13.788 8.325 1.00 2.46 O ATOM 0 H GLU A 13 2.946 -14.591 3.164 1.00 0.70 H new ATOM 0 HA GLU A 13 0.343 -15.527 3.557 1.00 0.72 H new ATOM 0 HB2 GLU A 13 1.004 -15.863 5.835 1.00 1.02 H new ATOM 0 HB3 GLU A 13 2.491 -15.974 4.914 1.00 1.02 H new ATOM 0 HG2 GLU A 13 3.291 -14.401 6.386 1.00 0.96 H new ATOM 0 HG3 GLU A 13 2.393 -13.250 5.417 1.00 0.96 H new ATOM 218 N ALA A 14 0.542 -12.377 4.129 1.00 0.65 N ATOM 219 CA ALA A 14 -0.285 -11.184 4.468 1.00 0.58 C ATOM 220 C ALA A 14 -1.458 -11.074 3.494 1.00 0.38 C ATOM 221 O ALA A 14 -2.566 -10.763 3.882 1.00 0.36 O ATOM 222 CB ALA A 14 0.582 -9.930 4.368 1.00 0.67 C ATOM 0 H ALA A 14 1.455 -12.178 3.720 1.00 0.65 H new ATOM 0 HA ALA A 14 -0.672 -11.285 5.482 1.00 0.58 H new ATOM 0 HB1 ALA A 14 -0.017 -9.053 4.615 1.00 0.67 H new ATOM 0 HB2 ALA A 14 1.416 -10.008 5.065 1.00 0.67 H new ATOM 0 HB3 ALA A 14 0.966 -9.833 3.352 1.00 0.67 H new ATOM 228 N LEU A 15 -1.183 -11.334 2.247 1.00 0.30 N ATOM 229 CA LEU A 15 -2.266 -11.261 1.228 1.00 0.19 C ATOM 230 C LEU A 15 -3.182 -12.478 1.361 1.00 0.22 C ATOM 231 O LEU A 15 -4.232 -12.540 0.752 1.00 0.27 O ATOM 232 CB LEU A 15 -1.633 -11.242 -0.166 1.00 0.24 C ATOM 233 CG LEU A 15 -0.819 -9.950 -0.346 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.122 -9.983 -1.709 1.00 0.36 C ATOM 235 CD2 LEU A 15 -1.753 -8.732 -0.295 1.00 0.28 C ATOM 0 H LEU A 15 -0.263 -11.592 1.891 1.00 0.30 H new ATOM 0 HA LEU A 15 -2.855 -10.356 1.379 1.00 0.19 H new ATOM 0 HB2 LEU A 15 -0.988 -12.111 -0.295 1.00 0.24 H new ATOM 0 HB3 LEU A 15 -2.409 -11.304 -0.929 1.00 0.24 H new ATOM 0 HG LEU A 15 -0.082 -9.876 0.453 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.457 -9.070 -1.844 1.00 0.36 H new ATOM 0 HD12 LEU A 15 0.543 -10.845 -1.757 1.00 0.36 H new ATOM 0 HD13 LEU A 15 -0.870 -10.058 -2.498 1.00 0.36 H new ATOM 0 HD21 LEU A 15 -1.169 -7.820 -0.423 1.00 0.28 H new ATOM 0 HD22 LEU A 15 -2.491 -8.806 -1.094 1.00 0.28 H new ATOM 0 HD23 LEU A 15 -2.262 -8.704 0.668 1.00 0.28 H new ATOM 247 N ASP A 16 -2.765 -13.419 2.159 1.00 0.26 N ATOM 248 CA ASP A 16 -3.599 -14.638 2.354 1.00 0.32 C ATOM 249 C ASP A 16 -4.474 -14.476 3.596 1.00 0.25 C ATOM 250 O ASP A 16 -5.471 -15.152 3.753 1.00 0.27 O ATOM 251 CB ASP A 16 -2.687 -15.852 2.522 1.00 0.45 C ATOM 252 CG ASP A 16 -3.531 -17.129 2.481 1.00 0.59 C ATOM 253 OD1 ASP A 16 -3.993 -17.439 1.396 1.00 1.08 O ATOM 254 OD2 ASP A 16 -3.667 -17.722 3.540 1.00 1.05 O ATOM 0 H ASP A 16 -1.889 -13.399 2.682 1.00 0.26 H new ATOM 0 HA ASP A 16 -4.240 -14.780 1.484 1.00 0.32 H new ATOM 0 HB2 ASP A 16 -1.939 -15.871 1.730 1.00 0.45 H new ATOM 0 HB3 ASP A 16 -2.148 -15.789 3.468 1.00 0.45 H new ATOM 259 N ALA A 17 -4.078 -13.578 4.452 1.00 0.20 N ATOM 260 CA ALA A 17 -4.873 -13.347 5.693 1.00 0.19 C ATOM 261 C ALA A 17 -5.901 -12.235 5.455 1.00 0.27 C ATOM 262 O ALA A 17 -6.768 -12.001 6.273 1.00 0.35 O ATOM 263 CB ALA A 17 -3.930 -12.938 6.822 1.00 0.08 C ATOM 0 H ALA A 17 -3.246 -12.997 4.350 1.00 0.20 H new ATOM 0 HA ALA A 17 -5.398 -14.263 5.964 1.00 0.19 H new ATOM 0 HB1 ALA A 17 -4.505 -12.768 7.732 1.00 0.08 H new ATOM 0 HB2 ALA A 17 -3.203 -13.732 6.995 1.00 0.08 H new ATOM 0 HB3 ALA A 17 -3.408 -12.022 6.546 1.00 0.08 H new ATOM 269 N ALA A 18 -5.779 -11.574 4.335 1.00 0.27 N ATOM 270 CA ALA A 18 -6.739 -10.475 4.022 1.00 0.36 C ATOM 271 C ALA A 18 -7.881 -11.006 3.151 1.00 0.26 C ATOM 272 O ALA A 18 -8.605 -10.244 2.540 1.00 0.32 O ATOM 273 CB ALA A 18 -6.002 -9.366 3.273 1.00 0.45 C ATOM 0 H ALA A 18 -5.063 -11.745 3.629 1.00 0.27 H new ATOM 0 HA ALA A 18 -7.154 -10.084 4.951 1.00 0.36 H new ATOM 0 HB1 ALA A 18 -6.697 -8.559 3.041 1.00 0.45 H new ATOM 0 HB2 ALA A 18 -5.194 -8.981 3.896 1.00 0.45 H new ATOM 0 HB3 ALA A 18 -5.588 -9.765 2.347 1.00 0.45 H new ATOM 279 N GLY A 19 -8.017 -12.303 3.112 1.00 0.31 N ATOM 280 CA GLY A 19 -9.104 -12.899 2.286 1.00 0.32 C ATOM 281 C GLY A 19 -8.996 -12.418 0.837 1.00 0.15 C ATOM 282 O GLY A 19 -8.060 -12.757 0.138 1.00 0.24 O ATOM 0 H GLY A 19 -7.429 -12.970 3.611 1.00 0.31 H new ATOM 0 HA2 GLY A 19 -9.041 -13.987 2.321 1.00 0.32 H new ATOM 0 HA3 GLY A 19 -10.075 -12.622 2.697 1.00 0.32 H new ATOM 286 N ASP A 20 -9.962 -11.641 0.419 1.00 0.17 N ATOM 287 CA ASP A 20 -9.940 -11.121 -0.985 1.00 0.05 C ATOM 288 C ASP A 20 -10.281 -9.625 -1.014 1.00 0.21 C ATOM 289 O ASP A 20 -10.092 -8.966 -2.017 1.00 0.31 O ATOM 290 CB ASP A 20 -10.966 -11.889 -1.817 1.00 0.18 C ATOM 291 CG ASP A 20 -11.897 -12.663 -0.882 1.00 0.83 C ATOM 292 OD1 ASP A 20 -12.854 -12.048 -0.438 1.00 1.86 O ATOM 293 OD2 ASP A 20 -11.600 -13.826 -0.662 1.00 1.47 O ATOM 0 H ASP A 20 -10.759 -11.345 0.982 1.00 0.17 H new ATOM 0 HA ASP A 20 -8.940 -11.258 -1.397 1.00 0.05 H new ATOM 0 HB2 ASP A 20 -11.542 -11.199 -2.433 1.00 0.18 H new ATOM 0 HB3 ASP A 20 -10.460 -12.576 -2.496 1.00 0.18 H new ATOM 298 N LYS A 21 -10.777 -9.121 0.087 1.00 0.31 N ATOM 299 CA LYS A 21 -11.129 -7.670 0.133 1.00 0.48 C ATOM 300 C LYS A 21 -10.011 -6.839 -0.504 1.00 0.45 C ATOM 301 O LYS A 21 -8.871 -7.247 -0.517 1.00 0.46 O ATOM 302 CB LYS A 21 -11.307 -7.242 1.589 1.00 0.61 C ATOM 303 CG LYS A 21 -12.443 -8.052 2.217 1.00 0.61 C ATOM 304 CD LYS A 21 -12.316 -7.993 3.741 1.00 0.69 C ATOM 305 CE LYS A 21 -11.606 -9.255 4.234 1.00 1.91 C ATOM 306 NZ LYS A 21 -12.548 -10.409 4.256 1.00 1.90 N ATOM 0 H LYS A 21 -10.952 -9.643 0.946 1.00 0.31 H new ATOM 0 HA LYS A 21 -12.055 -7.508 -0.419 1.00 0.48 H new ATOM 0 HB2 LYS A 21 -10.382 -7.401 2.143 1.00 0.61 H new ATOM 0 HB3 LYS A 21 -11.531 -6.177 1.642 1.00 0.61 H new ATOM 0 HG2 LYS A 21 -13.408 -7.652 1.904 1.00 0.61 H new ATOM 0 HG3 LYS A 21 -12.401 -9.086 1.876 1.00 0.61 H new ATOM 0 HD2 LYS A 21 -11.756 -7.106 4.037 1.00 0.69 H new ATOM 0 HD3 LYS A 21 -13.303 -7.914 4.198 1.00 0.69 H new ATOM 0 HE2 LYS A 21 -10.760 -9.481 3.585 1.00 1.91 H new ATOM 0 HE3 LYS A 21 -11.205 -9.087 5.233 1.00 1.91 H new ATOM 0 HZ1 LYS A 21 -12.098 -11.216 4.733 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.412 -10.142 4.769 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.793 -10.676 3.281 1.00 1.90 H new ATOM 320 N LEU A 22 -10.362 -5.696 -1.023 1.00 0.42 N ATOM 321 CA LEU A 22 -9.324 -4.830 -1.660 1.00 0.41 C ATOM 322 C LEU A 22 -8.095 -4.724 -0.748 1.00 0.36 C ATOM 323 O LEU A 22 -8.228 -4.555 0.448 1.00 0.37 O ATOM 324 CB LEU A 22 -9.909 -3.434 -1.874 1.00 0.50 C ATOM 325 CG LEU A 22 -10.017 -3.135 -3.372 1.00 0.33 C ATOM 326 CD1 LEU A 22 -10.693 -1.771 -3.553 1.00 1.48 C ATOM 327 CD2 LEU A 22 -8.612 -3.093 -3.993 1.00 1.13 C ATOM 0 H LEU A 22 -11.312 -5.324 -1.036 1.00 0.42 H new ATOM 0 HA LEU A 22 -9.025 -5.266 -2.613 1.00 0.41 H new ATOM 0 HB2 LEU A 22 -10.893 -3.368 -1.410 1.00 0.50 H new ATOM 0 HB3 LEU A 22 -9.278 -2.688 -1.391 1.00 0.50 H new ATOM 0 HG LEU A 22 -10.603 -3.912 -3.863 1.00 0.33 H new ATOM 0 HD11 LEU A 22 -10.777 -1.545 -4.616 1.00 1.48 H new ATOM 0 HD12 LEU A 22 -11.688 -1.796 -3.108 1.00 1.48 H new ATOM 0 HD13 LEU A 22 -10.096 -1.001 -3.064 1.00 1.48 H new ATOM 0 HD21 LEU A 22 -8.692 -2.880 -5.059 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -8.024 -2.313 -3.510 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -8.123 -4.057 -3.851 1.00 1.13 H new ATOM 339 N VAL A 23 -6.924 -4.832 -1.335 1.00 0.32 N ATOM 340 CA VAL A 23 -5.674 -4.726 -0.517 1.00 0.29 C ATOM 341 C VAL A 23 -4.717 -3.738 -1.201 1.00 0.23 C ATOM 342 O VAL A 23 -3.941 -4.112 -2.059 1.00 0.29 O ATOM 343 CB VAL A 23 -5.011 -6.127 -0.414 1.00 0.33 C ATOM 344 CG1 VAL A 23 -4.143 -6.243 0.860 1.00 0.38 C ATOM 345 CG2 VAL A 23 -6.096 -7.208 -0.365 1.00 0.28 C ATOM 0 H VAL A 23 -6.782 -4.987 -2.333 1.00 0.32 H new ATOM 0 HA VAL A 23 -5.907 -4.369 0.486 1.00 0.29 H new ATOM 0 HB VAL A 23 -4.376 -6.262 -1.289 1.00 0.33 H new ATOM 0 HG11 VAL A 23 -3.692 -7.234 0.904 1.00 0.38 H new ATOM 0 HG12 VAL A 23 -3.357 -5.488 0.835 1.00 0.38 H new ATOM 0 HG13 VAL A 23 -4.767 -6.088 1.740 1.00 0.38 H new ATOM 0 HG21 VAL A 23 -5.628 -8.190 -0.293 1.00 0.28 H new ATOM 0 HG22 VAL A 23 -6.733 -7.045 0.504 1.00 0.28 H new ATOM 0 HG23 VAL A 23 -6.699 -7.159 -1.271 1.00 0.28 H new ATOM 355 N VAL A 24 -4.800 -2.492 -0.804 1.00 0.16 N ATOM 356 CA VAL A 24 -3.927 -1.454 -1.442 1.00 0.12 C ATOM 357 C VAL A 24 -2.660 -1.207 -0.609 1.00 0.18 C ATOM 358 O VAL A 24 -2.737 -0.866 0.555 1.00 0.44 O ATOM 359 CB VAL A 24 -4.718 -0.156 -1.558 1.00 0.14 C ATOM 360 CG1 VAL A 24 -3.832 0.914 -2.190 1.00 0.16 C ATOM 361 CG2 VAL A 24 -5.940 -0.387 -2.448 1.00 0.14 C ATOM 0 H VAL A 24 -5.426 -2.150 -0.075 1.00 0.16 H new ATOM 0 HA VAL A 24 -3.622 -1.807 -2.427 1.00 0.12 H new ATOM 0 HB VAL A 24 -5.041 0.168 -0.569 1.00 0.14 H new ATOM 0 HG11 VAL A 24 -4.392 1.845 -2.276 1.00 0.16 H new ATOM 0 HG12 VAL A 24 -2.954 1.075 -1.565 1.00 0.16 H new ATOM 0 HG13 VAL A 24 -3.517 0.587 -3.181 1.00 0.16 H new ATOM 0 HG21 VAL A 24 -6.508 0.539 -2.533 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.614 -0.705 -3.438 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.570 -1.160 -2.008 1.00 0.14 H new ATOM 371 N VAL A 25 -1.519 -1.359 -1.242 1.00 0.15 N ATOM 372 CA VAL A 25 -0.230 -1.152 -0.505 1.00 0.13 C ATOM 373 C VAL A 25 0.291 0.270 -0.698 1.00 0.17 C ATOM 374 O VAL A 25 -0.014 0.923 -1.676 1.00 0.30 O ATOM 375 CB VAL A 25 0.815 -2.138 -1.027 1.00 0.11 C ATOM 376 CG1 VAL A 25 2.120 -1.939 -0.253 1.00 0.14 C ATOM 377 CG2 VAL A 25 0.320 -3.568 -0.809 1.00 0.22 C ATOM 0 H VAL A 25 -1.425 -1.614 -2.225 1.00 0.15 H new ATOM 0 HA VAL A 25 -0.413 -1.316 0.557 1.00 0.13 H new ATOM 0 HB VAL A 25 0.981 -1.966 -2.090 1.00 0.11 H new ATOM 0 HG11 VAL A 25 2.871 -2.639 -0.620 1.00 0.14 H new ATOM 0 HG12 VAL A 25 2.475 -0.918 -0.395 1.00 0.14 H new ATOM 0 HG13 VAL A 25 1.945 -2.118 0.808 1.00 0.14 H new ATOM 0 HG21 VAL A 25 1.065 -4.272 -1.181 1.00 0.22 H new ATOM 0 HG22 VAL A 25 0.159 -3.739 0.255 1.00 0.22 H new ATOM 0 HG23 VAL A 25 -0.617 -3.714 -1.346 1.00 0.22 H new ATOM 387 N ASP A 26 1.070 0.710 0.258 1.00 0.10 N ATOM 388 CA ASP A 26 1.654 2.080 0.176 1.00 0.13 C ATOM 389 C ASP A 26 3.177 1.997 0.301 1.00 0.16 C ATOM 390 O ASP A 26 3.726 2.139 1.377 1.00 0.21 O ATOM 391 CB ASP A 26 1.097 2.929 1.311 1.00 0.18 C ATOM 392 CG ASP A 26 1.784 4.297 1.307 1.00 0.21 C ATOM 393 OD1 ASP A 26 1.729 4.927 0.265 1.00 0.92 O ATOM 394 OD2 ASP A 26 2.323 4.633 2.349 1.00 1.11 O ATOM 0 H ASP A 26 1.326 0.179 1.090 1.00 0.10 H new ATOM 0 HA ASP A 26 1.396 2.531 -0.782 1.00 0.13 H new ATOM 0 HB2 ASP A 26 0.020 3.050 1.194 1.00 0.18 H new ATOM 0 HB3 ASP A 26 1.260 2.431 2.267 1.00 0.18 H new ATOM 399 N PHE A 27 3.822 1.755 -0.803 1.00 0.18 N ATOM 400 CA PHE A 27 5.308 1.665 -0.784 1.00 0.20 C ATOM 401 C PHE A 27 5.905 3.062 -0.631 1.00 0.21 C ATOM 402 O PHE A 27 5.845 3.872 -1.536 1.00 0.39 O ATOM 403 CB PHE A 27 5.768 1.036 -2.088 1.00 0.23 C ATOM 404 CG PHE A 27 5.436 -0.455 -2.067 1.00 0.25 C ATOM 405 CD1 PHE A 27 6.287 -1.356 -1.451 1.00 0.30 C ATOM 406 CD2 PHE A 27 4.276 -0.925 -2.664 1.00 0.22 C ATOM 407 CE1 PHE A 27 5.988 -2.702 -1.435 1.00 0.31 C ATOM 408 CE2 PHE A 27 3.982 -2.276 -2.644 1.00 0.23 C ATOM 409 CZ PHE A 27 4.838 -3.161 -2.030 1.00 0.28 C ATOM 0 H PHE A 27 3.388 1.616 -1.715 1.00 0.18 H new ATOM 0 HA PHE A 27 5.639 1.054 0.055 1.00 0.20 H new ATOM 0 HB2 PHE A 27 5.277 1.519 -2.933 1.00 0.23 H new ATOM 0 HB3 PHE A 27 6.841 1.181 -2.218 1.00 0.23 H new ATOM 0 HD1 PHE A 27 7.192 -1.002 -0.979 1.00 0.30 H new ATOM 0 HD2 PHE A 27 3.600 -0.234 -3.146 1.00 0.22 H new ATOM 0 HE1 PHE A 27 6.660 -3.397 -0.953 1.00 0.31 H new ATOM 0 HE2 PHE A 27 3.078 -2.637 -3.112 1.00 0.23 H new ATOM 0 HZ PHE A 27 4.606 -4.216 -2.016 1.00 0.28 H new ATOM 419 N SER A 28 6.467 3.315 0.516 1.00 0.14 N ATOM 420 CA SER A 28 7.056 4.658 0.763 1.00 0.11 C ATOM 421 C SER A 28 8.188 4.557 1.792 1.00 0.09 C ATOM 422 O SER A 28 8.667 3.478 2.077 1.00 0.30 O ATOM 423 CB SER A 28 5.961 5.562 1.304 1.00 0.22 C ATOM 424 OG SER A 28 6.556 6.849 1.350 1.00 1.11 O ATOM 0 H SER A 28 6.544 2.654 1.289 1.00 0.14 H new ATOM 0 HA SER A 28 7.463 5.061 -0.164 1.00 0.11 H new ATOM 0 HB2 SER A 28 5.083 5.553 0.658 1.00 0.22 H new ATOM 0 HB3 SER A 28 5.633 5.241 2.292 1.00 0.22 H new ATOM 0 HG SER A 28 5.966 7.498 0.912 1.00 1.11 H new ATOM 430 N ALA A 29 8.584 5.689 2.335 1.00 0.25 N ATOM 431 CA ALA A 29 9.683 5.685 3.352 1.00 0.21 C ATOM 432 C ALA A 29 9.179 6.275 4.673 1.00 0.25 C ATOM 433 O ALA A 29 8.736 7.406 4.721 1.00 0.40 O ATOM 434 CB ALA A 29 10.846 6.526 2.831 1.00 0.11 C ATOM 0 H ALA A 29 8.195 6.607 2.118 1.00 0.25 H new ATOM 0 HA ALA A 29 10.012 4.660 3.525 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.651 6.528 3.566 1.00 0.11 H new ATOM 0 HB2 ALA A 29 11.210 6.103 1.895 1.00 0.11 H new ATOM 0 HB3 ALA A 29 10.508 7.548 2.660 1.00 0.11 H new ATOM 440 N THR A 30 9.255 5.496 5.716 1.00 0.31 N ATOM 441 CA THR A 30 8.783 5.997 7.040 1.00 0.33 C ATOM 442 C THR A 30 9.843 6.904 7.672 1.00 0.25 C ATOM 443 O THR A 30 9.526 7.832 8.388 1.00 0.30 O ATOM 444 CB THR A 30 8.519 4.802 7.961 1.00 0.43 C ATOM 445 OG1 THR A 30 7.835 5.351 9.083 1.00 0.48 O ATOM 446 CG2 THR A 30 9.818 4.229 8.520 1.00 0.42 C ATOM 0 H THR A 30 9.619 4.543 5.712 1.00 0.31 H new ATOM 0 HA THR A 30 7.867 6.571 6.901 1.00 0.33 H new ATOM 0 HB THR A 30 7.984 4.024 7.417 1.00 0.43 H new ATOM 0 HG1 THR A 30 7.629 4.637 9.722 1.00 0.48 H new ATOM 0 HG21 THR A 30 9.593 3.383 9.169 1.00 0.42 H new ATOM 0 HG22 THR A 30 10.453 3.897 7.698 1.00 0.42 H new ATOM 0 HG23 THR A 30 10.338 4.997 9.093 1.00 0.42 H new ATOM 454 N TRP A 31 11.077 6.614 7.386 1.00 0.17 N ATOM 455 CA TRP A 31 12.184 7.437 7.954 1.00 0.09 C ATOM 456 C TRP A 31 12.142 8.858 7.381 1.00 0.11 C ATOM 457 O TRP A 31 12.206 9.827 8.111 1.00 0.12 O ATOM 458 CB TRP A 31 13.506 6.784 7.578 1.00 0.07 C ATOM 459 CG TRP A 31 13.554 6.620 6.056 1.00 0.14 C ATOM 460 CD1 TRP A 31 13.047 5.578 5.409 1.00 0.22 C ATOM 461 CD2 TRP A 31 14.088 7.489 5.211 1.00 0.12 C ATOM 462 NE1 TRP A 31 13.300 5.850 4.121 1.00 0.23 N ATOM 463 CE2 TRP A 31 13.955 7.040 3.909 1.00 0.17 C ATOM 464 CE3 TRP A 31 14.706 8.711 5.447 1.00 0.05 C ATOM 465 CZ2 TRP A 31 14.430 7.795 2.861 1.00 0.15 C ATOM 466 CZ3 TRP A 31 15.181 9.461 4.393 1.00 0.04 C ATOM 467 CH2 TRP A 31 15.043 9.004 3.102 1.00 0.09 C ATOM 0 H TRP A 31 11.371 5.844 6.785 1.00 0.17 H new ATOM 0 HA TRP A 31 12.077 7.495 9.037 1.00 0.09 H new ATOM 0 HB2 TRP A 31 14.341 7.396 7.919 1.00 0.07 H new ATOM 0 HB3 TRP A 31 13.601 5.814 8.066 1.00 0.07 H new ATOM 0 HD1 TRP A 31 12.548 4.714 5.823 1.00 0.22 H new ATOM 0 HE1 TRP A 31 13.029 5.226 3.361 1.00 0.23 H new ATOM 0 HE3 TRP A 31 14.814 9.074 6.458 1.00 0.05 H new ATOM 0 HZ2 TRP A 31 14.322 7.438 1.847 1.00 0.15 H new ATOM 0 HZ3 TRP A 31 15.663 10.409 4.580 1.00 0.04 H new ATOM 0 HH2 TRP A 31 15.416 9.594 2.278 1.00 0.09 H new ATOM 478 N CYS A 32 12.035 8.947 6.085 1.00 0.14 N ATOM 479 CA CYS A 32 12.001 10.294 5.441 1.00 0.16 C ATOM 480 C CYS A 32 11.011 11.211 6.164 1.00 0.29 C ATOM 481 O CYS A 32 10.276 10.777 7.030 1.00 0.47 O ATOM 482 CB CYS A 32 11.574 10.142 3.985 1.00 0.28 C ATOM 483 SG CYS A 32 10.886 11.602 3.166 1.00 0.77 S ATOM 0 H CYS A 32 11.970 8.154 5.447 1.00 0.14 H new ATOM 0 HA CYS A 32 12.995 10.737 5.497 1.00 0.16 H new ATOM 0 HB2 CYS A 32 12.440 9.810 3.412 1.00 0.28 H new ATOM 0 HB3 CYS A 32 10.833 9.345 3.932 1.00 0.28 H new ATOM 0 HG CYS A 32 10.123 11.228 2.182 1.00 0.77 H new ATOM 489 N GLY A 33 11.018 12.464 5.787 1.00 0.21 N ATOM 490 CA GLY A 33 10.086 13.441 6.431 1.00 0.34 C ATOM 491 C GLY A 33 8.898 13.761 5.504 1.00 0.42 C ATOM 492 O GLY A 33 7.781 13.362 5.764 1.00 0.48 O ATOM 0 H GLY A 33 11.625 12.852 5.065 1.00 0.21 H new ATOM 0 HA2 GLY A 33 9.718 13.032 7.372 1.00 0.34 H new ATOM 0 HA3 GLY A 33 10.623 14.359 6.670 1.00 0.34 H new ATOM 496 N PRO A 34 9.172 14.481 4.431 1.00 0.43 N ATOM 497 CA PRO A 34 8.132 14.857 3.463 1.00 0.51 C ATOM 498 C PRO A 34 7.303 13.639 3.043 1.00 0.55 C ATOM 499 O PRO A 34 6.113 13.742 2.835 1.00 0.72 O ATOM 500 CB PRO A 34 8.891 15.439 2.267 1.00 0.49 C ATOM 501 CG PRO A 34 10.383 15.588 2.698 1.00 0.39 C ATOM 502 CD PRO A 34 10.523 14.956 4.097 1.00 0.37 C ATOM 0 HA PRO A 34 7.426 15.572 3.886 1.00 0.51 H new ATOM 0 HB2 PRO A 34 8.804 14.784 1.400 1.00 0.49 H new ATOM 0 HB3 PRO A 34 8.475 16.405 1.980 1.00 0.49 H new ATOM 0 HG2 PRO A 34 11.040 15.091 1.985 1.00 0.39 H new ATOM 0 HG3 PRO A 34 10.673 16.638 2.720 1.00 0.39 H new ATOM 0 HD2 PRO A 34 11.241 14.135 4.090 1.00 0.37 H new ATOM 0 HD3 PRO A 34 10.878 15.684 4.826 1.00 0.37 H new ATOM 510 N CYS A 35 7.943 12.513 2.921 1.00 0.44 N ATOM 511 CA CYS A 35 7.178 11.297 2.531 1.00 0.49 C ATOM 512 C CYS A 35 6.091 11.033 3.573 1.00 0.60 C ATOM 513 O CYS A 35 4.949 10.789 3.239 1.00 0.81 O ATOM 514 CB CYS A 35 8.122 10.099 2.470 1.00 0.46 C ATOM 515 SG CYS A 35 9.304 10.037 1.100 1.00 0.31 S ATOM 0 H CYS A 35 8.943 12.381 3.071 1.00 0.44 H new ATOM 0 HA CYS A 35 6.722 11.449 1.553 1.00 0.49 H new ATOM 0 HB2 CYS A 35 8.686 10.067 3.402 1.00 0.46 H new ATOM 0 HB3 CYS A 35 7.516 9.194 2.433 1.00 0.46 H new ATOM 0 HG CYS A 35 10.515 10.094 1.569 1.00 0.31 H new ATOM 521 N LYS A 36 6.472 11.109 4.823 1.00 0.47 N ATOM 522 CA LYS A 36 5.493 10.863 5.906 1.00 0.56 C ATOM 523 C LYS A 36 4.524 12.057 6.040 1.00 0.55 C ATOM 524 O LYS A 36 3.770 12.149 6.988 1.00 0.75 O ATOM 525 CB LYS A 36 6.254 10.638 7.211 1.00 0.67 C ATOM 526 CG LYS A 36 5.319 9.989 8.238 1.00 0.55 C ATOM 527 CD LYS A 36 5.658 8.500 8.358 1.00 0.99 C ATOM 528 CE LYS A 36 4.645 7.826 9.285 1.00 2.41 C ATOM 529 NZ LYS A 36 3.803 6.859 8.524 1.00 4.14 N ATOM 0 H LYS A 36 7.418 11.331 5.133 1.00 0.47 H new ATOM 0 HA LYS A 36 4.900 9.979 5.672 1.00 0.56 H new ATOM 0 HB2 LYS A 36 7.119 9.999 7.035 1.00 0.67 H new ATOM 0 HB3 LYS A 36 6.631 11.586 7.594 1.00 0.67 H new ATOM 0 HG2 LYS A 36 5.427 10.478 9.206 1.00 0.55 H new ATOM 0 HG3 LYS A 36 4.280 10.114 7.932 1.00 0.55 H new ATOM 0 HD2 LYS A 36 5.638 8.030 7.375 1.00 0.99 H new ATOM 0 HD3 LYS A 36 6.667 8.375 8.750 1.00 0.99 H new ATOM 0 HE2 LYS A 36 5.168 7.308 10.089 1.00 2.41 H new ATOM 0 HE3 LYS A 36 4.011 8.581 9.751 1.00 2.41 H new ATOM 0 HZ1 LYS A 36 3.144 6.386 9.174 1.00 4.14 H new ATOM 0 HZ2 LYS A 36 3.264 7.367 7.794 1.00 4.14 H new ATOM 0 HZ3 LYS A 36 4.413 6.148 8.072 1.00 4.14 H new ATOM 543 N MET A 37 4.567 12.951 5.082 1.00 0.52 N ATOM 544 CA MET A 37 3.647 14.135 5.143 1.00 0.61 C ATOM 545 C MET A 37 2.366 13.861 4.338 1.00 0.70 C ATOM 546 O MET A 37 1.296 14.307 4.699 1.00 0.67 O ATOM 547 CB MET A 37 4.355 15.362 4.564 1.00 0.53 C ATOM 548 CG MET A 37 3.526 16.617 4.864 1.00 0.97 C ATOM 549 SD MET A 37 4.238 17.833 6.001 1.00 1.03 S ATOM 550 CE MET A 37 4.224 16.794 7.483 1.00 2.24 C ATOM 0 H MET A 37 5.187 12.916 4.273 1.00 0.52 H new ATOM 0 HA MET A 37 3.379 14.318 6.184 1.00 0.61 H new ATOM 0 HB2 MET A 37 5.351 15.459 4.996 1.00 0.53 H new ATOM 0 HB3 MET A 37 4.484 15.247 3.488 1.00 0.53 H new ATOM 0 HG2 MET A 37 3.321 17.119 3.919 1.00 0.97 H new ATOM 0 HG3 MET A 37 2.566 16.298 5.270 1.00 0.97 H new ATOM 0 HE1 MET A 37 4.579 17.372 8.336 1.00 2.24 H new ATOM 0 HE2 MET A 37 3.208 16.449 7.676 1.00 2.24 H new ATOM 0 HE3 MET A 37 4.876 15.934 7.331 1.00 2.24 H new ATOM 560 N ILE A 38 2.504 13.127 3.264 1.00 0.88 N ATOM 561 CA ILE A 38 1.299 12.811 2.427 1.00 1.04 C ATOM 562 C ILE A 38 0.738 11.437 2.814 1.00 1.24 C ATOM 563 O ILE A 38 -0.227 10.970 2.244 1.00 1.38 O ATOM 564 CB ILE A 38 1.705 12.798 0.947 1.00 1.26 C ATOM 565 CG1 ILE A 38 2.327 14.163 0.554 1.00 1.24 C ATOM 566 CG2 ILE A 38 0.477 12.495 0.079 1.00 1.58 C ATOM 567 CD1 ILE A 38 1.239 15.229 0.313 1.00 1.72 C ATOM 0 H ILE A 38 3.385 12.736 2.930 1.00 0.88 H new ATOM 0 HA ILE A 38 0.533 13.568 2.595 1.00 1.04 H new ATOM 0 HB ILE A 38 2.452 12.021 0.784 1.00 1.26 H new ATOM 0 HG12 ILE A 38 2.999 14.499 1.344 1.00 1.24 H new ATOM 0 HG13 ILE A 38 2.928 14.044 -0.347 1.00 1.24 H new ATOM 0 HG21 ILE A 38 0.767 12.486 -0.972 1.00 1.58 H new ATOM 0 HG22 ILE A 38 0.070 11.521 0.351 1.00 1.58 H new ATOM 0 HG23 ILE A 38 -0.280 13.262 0.240 1.00 1.58 H new ATOM 0 HD11 ILE A 38 1.709 16.174 0.039 1.00 1.72 H new ATOM 0 HD12 ILE A 38 0.583 14.903 -0.494 1.00 1.72 H new ATOM 0 HD13 ILE A 38 0.655 15.365 1.223 1.00 1.72 H new ATOM 579 N LYS A 39 1.362 10.826 3.775 1.00 1.32 N ATOM 580 CA LYS A 39 0.892 9.491 4.238 1.00 1.60 C ATOM 581 C LYS A 39 -0.301 9.612 5.208 1.00 1.28 C ATOM 582 O LYS A 39 -1.275 8.915 5.049 1.00 1.29 O ATOM 583 CB LYS A 39 2.039 8.768 4.928 1.00 2.06 C ATOM 584 CG LYS A 39 2.340 7.449 4.203 1.00 3.06 C ATOM 585 CD LYS A 39 3.691 6.920 4.684 1.00 3.81 C ATOM 586 CE LYS A 39 4.803 7.482 3.792 1.00 5.22 C ATOM 587 NZ LYS A 39 6.127 6.926 4.193 1.00 5.95 N ATOM 0 H LYS A 39 2.180 11.192 4.263 1.00 1.32 H new ATOM 0 HA LYS A 39 0.558 8.927 3.367 1.00 1.60 H new ATOM 0 HB2 LYS A 39 2.927 9.400 4.934 1.00 2.06 H new ATOM 0 HB3 LYS A 39 1.782 8.570 5.969 1.00 2.06 H new ATOM 0 HG2 LYS A 39 1.555 6.720 4.405 1.00 3.06 H new ATOM 0 HG3 LYS A 39 2.359 7.607 3.125 1.00 3.06 H new ATOM 0 HD2 LYS A 39 3.860 7.210 5.721 1.00 3.81 H new ATOM 0 HD3 LYS A 39 3.700 5.830 4.653 1.00 3.81 H new ATOM 0 HE2 LYS A 39 4.600 7.237 2.750 1.00 5.22 H new ATOM 0 HE3 LYS A 39 4.821 8.569 3.866 1.00 5.22 H new ATOM 0 HZ1 LYS A 39 6.725 6.812 3.350 1.00 5.95 H new ATOM 0 HZ2 LYS A 39 6.589 7.577 4.860 1.00 5.95 H new ATOM 0 HZ3 LYS A 39 5.991 6.001 4.649 1.00 5.95 H new ATOM 601 N PRO A 40 -0.217 10.494 6.208 1.00 1.15 N ATOM 602 CA PRO A 40 -1.326 10.661 7.155 1.00 1.14 C ATOM 603 C PRO A 40 -2.657 10.764 6.398 1.00 0.79 C ATOM 604 O PRO A 40 -3.721 10.669 6.979 1.00 1.00 O ATOM 605 CB PRO A 40 -1.002 11.938 7.929 1.00 1.27 C ATOM 606 CG PRO A 40 0.498 12.258 7.652 1.00 1.36 C ATOM 607 CD PRO A 40 0.940 11.375 6.465 1.00 1.24 C ATOM 0 HA PRO A 40 -1.434 9.814 7.833 1.00 1.14 H new ATOM 0 HB2 PRO A 40 -1.640 12.760 7.605 1.00 1.27 H new ATOM 0 HB3 PRO A 40 -1.178 11.800 8.996 1.00 1.27 H new ATOM 0 HG2 PRO A 40 0.629 13.314 7.416 1.00 1.36 H new ATOM 0 HG3 PRO A 40 1.105 12.050 8.533 1.00 1.36 H new ATOM 0 HD2 PRO A 40 1.181 11.978 5.590 1.00 1.24 H new ATOM 0 HD3 PRO A 40 1.832 10.798 6.710 1.00 1.24 H new ATOM 615 N PHE A 41 -2.555 10.958 5.113 1.00 0.46 N ATOM 616 CA PHE A 41 -3.775 11.029 4.272 1.00 0.25 C ATOM 617 C PHE A 41 -4.216 9.596 3.916 1.00 0.22 C ATOM 618 O PHE A 41 -5.388 9.277 3.936 1.00 0.31 O ATOM 619 CB PHE A 41 -3.441 11.807 3.000 1.00 0.25 C ATOM 620 CG PHE A 41 -3.343 13.296 3.332 1.00 0.24 C ATOM 621 CD1 PHE A 41 -2.251 13.793 4.021 1.00 0.20 C ATOM 622 CD2 PHE A 41 -4.348 14.165 2.948 1.00 0.38 C ATOM 623 CE1 PHE A 41 -2.166 15.137 4.319 1.00 0.33 C ATOM 624 CE2 PHE A 41 -4.260 15.510 3.247 1.00 0.46 C ATOM 625 CZ PHE A 41 -3.170 15.994 3.932 1.00 0.44 C ATOM 0 H PHE A 41 -1.675 11.070 4.610 1.00 0.46 H new ATOM 0 HA PHE A 41 -4.583 11.531 4.804 1.00 0.25 H new ATOM 0 HB2 PHE A 41 -2.500 11.453 2.580 1.00 0.25 H new ATOM 0 HB3 PHE A 41 -4.210 11.640 2.245 1.00 0.25 H new ATOM 0 HD1 PHE A 41 -1.460 13.124 4.327 1.00 0.20 H new ATOM 0 HD2 PHE A 41 -5.207 13.789 2.411 1.00 0.38 H new ATOM 0 HE1 PHE A 41 -1.310 15.517 4.857 1.00 0.33 H new ATOM 0 HE2 PHE A 41 -5.048 16.183 2.943 1.00 0.46 H new ATOM 0 HZ PHE A 41 -3.102 17.046 4.166 1.00 0.44 H new ATOM 635 N PHE A 42 -3.246 8.767 3.595 1.00 0.23 N ATOM 636 CA PHE A 42 -3.559 7.338 3.249 1.00 0.32 C ATOM 637 C PHE A 42 -3.629 6.490 4.525 1.00 0.25 C ATOM 638 O PHE A 42 -4.212 5.424 4.538 1.00 0.23 O ATOM 639 CB PHE A 42 -2.447 6.790 2.347 1.00 0.49 C ATOM 640 CG PHE A 42 -2.583 5.262 2.228 1.00 0.41 C ATOM 641 CD1 PHE A 42 -3.504 4.711 1.356 1.00 0.40 C ATOM 642 CD2 PHE A 42 -1.786 4.411 2.990 1.00 0.38 C ATOM 643 CE1 PHE A 42 -3.630 3.341 1.244 1.00 0.38 C ATOM 644 CE2 PHE A 42 -1.920 3.043 2.874 1.00 0.34 C ATOM 645 CZ PHE A 42 -2.839 2.509 2.004 1.00 0.34 C ATOM 0 H PHE A 42 -2.257 9.015 3.558 1.00 0.23 H new ATOM 0 HA PHE A 42 -4.520 7.294 2.736 1.00 0.32 H new ATOM 0 HB2 PHE A 42 -2.507 7.248 1.360 1.00 0.49 H new ATOM 0 HB3 PHE A 42 -1.471 7.047 2.759 1.00 0.49 H new ATOM 0 HD1 PHE A 42 -4.129 5.357 0.758 1.00 0.40 H new ATOM 0 HD2 PHE A 42 -1.060 4.824 3.675 1.00 0.38 H new ATOM 0 HE1 PHE A 42 -4.351 2.921 0.558 1.00 0.38 H new ATOM 0 HE2 PHE A 42 -1.300 2.389 3.470 1.00 0.34 H new ATOM 0 HZ PHE A 42 -2.941 1.437 1.916 1.00 0.34 H new ATOM 655 N HIS A 43 -3.028 6.989 5.567 1.00 0.25 N ATOM 656 CA HIS A 43 -3.017 6.237 6.854 1.00 0.25 C ATOM 657 C HIS A 43 -4.295 6.531 7.649 1.00 0.17 C ATOM 658 O HIS A 43 -4.645 5.807 8.559 1.00 0.20 O ATOM 659 CB HIS A 43 -1.796 6.687 7.659 1.00 0.33 C ATOM 660 CG HIS A 43 -1.503 5.688 8.774 1.00 0.42 C ATOM 661 ND1 HIS A 43 -2.311 4.832 9.205 1.00 0.40 N ATOM 662 CD2 HIS A 43 -0.350 5.513 9.520 1.00 0.56 C ATOM 663 CE1 HIS A 43 -1.796 4.140 10.138 1.00 0.50 C ATOM 664 NE2 HIS A 43 -0.543 4.505 10.407 1.00 0.61 N ATOM 0 H HIS A 43 -2.543 7.886 5.585 1.00 0.25 H new ATOM 0 HA HIS A 43 -2.971 5.166 6.658 1.00 0.25 H new ATOM 0 HB2 HIS A 43 -0.930 6.774 7.002 1.00 0.33 H new ATOM 0 HB3 HIS A 43 -1.975 7.675 8.084 1.00 0.33 H new ATOM 0 HD1 HIS A 43 -3.260 4.707 8.852 1.00 0.40 H new ATOM 0 HD2 HIS A 43 0.558 6.087 9.413 1.00 0.56 H new ATOM 0 HE1 HIS A 43 -2.315 3.346 10.654 1.00 0.50 H new ATOM 672 N SER A 44 -4.963 7.595 7.284 1.00 0.12 N ATOM 673 CA SER A 44 -6.217 7.959 8.009 1.00 0.17 C ATOM 674 C SER A 44 -7.393 7.124 7.495 1.00 0.18 C ATOM 675 O SER A 44 -8.437 7.067 8.116 1.00 0.26 O ATOM 676 CB SER A 44 -6.509 9.442 7.789 1.00 0.22 C ATOM 677 OG SER A 44 -6.281 9.639 6.402 1.00 1.27 O ATOM 0 H SER A 44 -4.698 8.221 6.524 1.00 0.12 H new ATOM 0 HA SER A 44 -6.085 7.759 9.072 1.00 0.17 H new ATOM 0 HB2 SER A 44 -7.534 9.691 8.064 1.00 0.22 H new ATOM 0 HB3 SER A 44 -5.855 10.071 8.393 1.00 0.22 H new ATOM 0 HG SER A 44 -5.402 10.053 6.270 1.00 1.27 H new ATOM 683 N LEU A 45 -7.198 6.494 6.373 1.00 0.15 N ATOM 684 CA LEU A 45 -8.294 5.654 5.804 1.00 0.20 C ATOM 685 C LEU A 45 -8.457 4.378 6.632 1.00 0.17 C ATOM 686 O LEU A 45 -9.386 3.618 6.437 1.00 0.19 O ATOM 687 CB LEU A 45 -7.944 5.285 4.363 1.00 0.23 C ATOM 688 CG LEU A 45 -7.581 6.557 3.590 1.00 0.25 C ATOM 689 CD1 LEU A 45 -7.241 6.187 2.145 1.00 0.32 C ATOM 690 CD2 LEU A 45 -8.777 7.513 3.595 1.00 0.43 C ATOM 0 H LEU A 45 -6.337 6.521 5.827 1.00 0.15 H new ATOM 0 HA LEU A 45 -9.229 6.214 5.827 1.00 0.20 H new ATOM 0 HB2 LEU A 45 -7.109 4.585 4.347 1.00 0.23 H new ATOM 0 HB3 LEU A 45 -8.788 4.785 3.888 1.00 0.23 H new ATOM 0 HG LEU A 45 -6.724 7.039 4.060 1.00 0.25 H new ATOM 0 HD11 LEU A 45 -6.982 7.089 1.590 1.00 0.32 H new ATOM 0 HD12 LEU A 45 -6.396 5.499 2.135 1.00 0.32 H new ATOM 0 HD13 LEU A 45 -8.103 5.709 1.679 1.00 0.32 H new ATOM 0 HD21 LEU A 45 -8.521 8.419 3.046 1.00 0.43 H new ATOM 0 HD22 LEU A 45 -9.631 7.030 3.120 1.00 0.43 H new ATOM 0 HD23 LEU A 45 -9.032 7.772 4.623 1.00 0.43 H new ATOM 702 N SER A 46 -7.546 4.172 7.541 1.00 0.14 N ATOM 703 CA SER A 46 -7.616 2.952 8.398 1.00 0.14 C ATOM 704 C SER A 46 -8.967 2.879 9.122 1.00 0.14 C ATOM 705 O SER A 46 -9.435 1.807 9.455 1.00 0.23 O ATOM 706 CB SER A 46 -6.491 3.008 9.430 1.00 0.16 C ATOM 707 OG SER A 46 -6.036 1.666 9.522 1.00 0.94 O ATOM 0 H SER A 46 -6.758 4.792 7.729 1.00 0.14 H new ATOM 0 HA SER A 46 -7.510 2.068 7.770 1.00 0.14 H new ATOM 0 HB2 SER A 46 -5.692 3.678 9.113 1.00 0.16 H new ATOM 0 HB3 SER A 46 -6.851 3.373 10.392 1.00 0.16 H new ATOM 0 HG SER A 46 -5.563 1.538 10.371 1.00 0.94 H new ATOM 713 N GLU A 47 -9.564 4.022 9.346 1.00 0.07 N ATOM 714 CA GLU A 47 -10.883 4.042 10.056 1.00 0.06 C ATOM 715 C GLU A 47 -12.029 4.282 9.065 1.00 0.06 C ATOM 716 O GLU A 47 -13.065 3.653 9.149 1.00 0.07 O ATOM 717 CB GLU A 47 -10.871 5.164 11.091 1.00 0.08 C ATOM 718 CG GLU A 47 -10.028 4.731 12.292 1.00 0.16 C ATOM 719 CD GLU A 47 -10.953 4.272 13.421 1.00 1.02 C ATOM 720 OE1 GLU A 47 -11.382 3.133 13.338 1.00 2.11 O ATOM 721 OE2 GLU A 47 -11.180 5.087 14.300 1.00 1.09 O ATOM 0 H GLU A 47 -9.201 4.935 9.072 1.00 0.07 H new ATOM 0 HA GLU A 47 -11.038 3.078 10.541 1.00 0.06 H new ATOM 0 HB2 GLU A 47 -10.462 6.074 10.653 1.00 0.08 H new ATOM 0 HB3 GLU A 47 -11.888 5.393 11.409 1.00 0.08 H new ATOM 0 HG2 GLU A 47 -9.356 3.922 12.006 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -9.405 5.559 12.631 1.00 0.16 H new ATOM 728 N LYS A 48 -11.818 5.186 8.150 1.00 0.11 N ATOM 729 CA LYS A 48 -12.890 5.486 7.157 1.00 0.13 C ATOM 730 C LYS A 48 -13.344 4.205 6.444 1.00 0.16 C ATOM 731 O LYS A 48 -14.468 3.772 6.600 1.00 0.20 O ATOM 732 CB LYS A 48 -12.356 6.481 6.133 1.00 0.11 C ATOM 733 CG LYS A 48 -13.481 7.435 5.725 1.00 0.22 C ATOM 734 CD LYS A 48 -13.554 8.589 6.730 1.00 1.08 C ATOM 735 CE LYS A 48 -14.961 9.191 6.704 1.00 1.51 C ATOM 736 NZ LYS A 48 -15.821 8.552 7.741 1.00 2.99 N ATOM 0 H LYS A 48 -10.959 5.726 8.046 1.00 0.11 H new ATOM 0 HA LYS A 48 -13.747 5.911 7.679 1.00 0.13 H new ATOM 0 HB2 LYS A 48 -11.522 7.042 6.554 1.00 0.11 H new ATOM 0 HB3 LYS A 48 -11.976 5.953 5.259 1.00 0.11 H new ATOM 0 HG2 LYS A 48 -13.300 7.822 4.722 1.00 0.22 H new ATOM 0 HG3 LYS A 48 -14.432 6.903 5.695 1.00 0.22 H new ATOM 0 HD2 LYS A 48 -13.318 8.230 7.732 1.00 1.08 H new ATOM 0 HD3 LYS A 48 -12.815 9.351 6.482 1.00 1.08 H new ATOM 0 HE2 LYS A 48 -14.907 10.265 6.880 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -15.405 9.051 5.718 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -16.772 8.972 7.710 1.00 2.99 H new ATOM 0 HZ2 LYS A 48 -15.887 7.531 7.556 1.00 2.99 H new ATOM 0 HZ3 LYS A 48 -15.405 8.707 8.681 1.00 2.99 H new ATOM 750 N TYR A 49 -12.461 3.627 5.677 1.00 0.15 N ATOM 751 CA TYR A 49 -12.832 2.380 4.945 1.00 0.19 C ATOM 752 C TYR A 49 -12.559 1.151 5.822 1.00 0.23 C ATOM 753 O TYR A 49 -11.424 0.759 6.009 1.00 0.32 O ATOM 754 CB TYR A 49 -12.002 2.285 3.669 1.00 0.19 C ATOM 755 CG TYR A 49 -12.679 3.090 2.557 1.00 0.23 C ATOM 756 CD1 TYR A 49 -13.726 2.550 1.838 1.00 0.27 C ATOM 757 CD2 TYR A 49 -12.252 4.368 2.258 1.00 0.25 C ATOM 758 CE1 TYR A 49 -14.335 3.276 0.834 1.00 0.34 C ATOM 759 CE2 TYR A 49 -12.861 5.094 1.255 1.00 0.32 C ATOM 760 CZ TYR A 49 -13.907 4.554 0.536 1.00 0.35 C ATOM 761 OH TYR A 49 -14.515 5.279 -0.468 1.00 0.43 O ATOM 0 H TYR A 49 -11.508 3.958 5.525 1.00 0.15 H new ATOM 0 HA TYR A 49 -13.893 2.411 4.699 1.00 0.19 H new ATOM 0 HB2 TYR A 49 -10.997 2.666 3.848 1.00 0.19 H new ATOM 0 HB3 TYR A 49 -11.899 1.243 3.367 1.00 0.19 H new ATOM 0 HD1 TYR A 49 -14.072 1.552 2.063 1.00 0.27 H new ATOM 0 HD2 TYR A 49 -11.435 4.803 2.814 1.00 0.25 H new ATOM 0 HE1 TYR A 49 -15.152 2.841 0.278 1.00 0.34 H new ATOM 0 HE2 TYR A 49 -12.516 6.093 1.031 1.00 0.32 H new ATOM 0 HH TYR A 49 -14.088 6.158 -0.541 1.00 0.43 H new ATOM 771 N SER A 50 -13.609 0.569 6.338 1.00 0.25 N ATOM 772 CA SER A 50 -13.426 -0.633 7.207 1.00 0.28 C ATOM 773 C SER A 50 -13.588 -1.915 6.386 1.00 0.23 C ATOM 774 O SER A 50 -13.236 -2.988 6.833 1.00 0.15 O ATOM 775 CB SER A 50 -14.472 -0.606 8.320 1.00 0.34 C ATOM 776 OG SER A 50 -15.713 -0.671 7.633 1.00 0.34 O ATOM 0 H SER A 50 -14.574 0.868 6.199 1.00 0.25 H new ATOM 0 HA SER A 50 -12.423 -0.616 7.634 1.00 0.28 H new ATOM 0 HB2 SER A 50 -14.350 -1.447 9.002 1.00 0.34 H new ATOM 0 HB3 SER A 50 -14.395 0.302 8.917 1.00 0.34 H new ATOM 0 HG SER A 50 -16.447 -0.660 8.282 1.00 0.34 H new ATOM 782 N ASN A 51 -14.115 -1.774 5.205 1.00 0.29 N ATOM 783 CA ASN A 51 -14.311 -2.976 4.341 1.00 0.25 C ATOM 784 C ASN A 51 -13.141 -3.123 3.363 1.00 0.26 C ATOM 785 O ASN A 51 -13.270 -3.746 2.328 1.00 0.48 O ATOM 786 CB ASN A 51 -15.612 -2.816 3.557 1.00 0.34 C ATOM 787 CG ASN A 51 -15.928 -4.120 2.820 1.00 0.24 C ATOM 788 OD1 ASN A 51 -16.420 -4.113 1.709 1.00 1.18 O ATOM 789 ND2 ASN A 51 -15.663 -5.259 3.401 1.00 1.27 N ATOM 0 H ASN A 51 -14.417 -0.888 4.800 1.00 0.29 H new ATOM 0 HA ASN A 51 -14.358 -3.866 4.968 1.00 0.25 H new ATOM 0 HB2 ASN A 51 -16.428 -2.561 4.234 1.00 0.34 H new ATOM 0 HB3 ASN A 51 -15.521 -1.996 2.845 1.00 0.34 H new ATOM 0 HD21 ASN A 51 -15.869 -6.136 2.922 1.00 1.27 H new ATOM 0 HD22 ASN A 51 -15.250 -5.272 4.334 1.00 1.27 H new ATOM 796 N VAL A 52 -12.024 -2.541 3.714 1.00 0.28 N ATOM 797 CA VAL A 52 -10.830 -2.634 2.818 1.00 0.24 C ATOM 798 C VAL A 52 -9.558 -2.825 3.652 1.00 0.22 C ATOM 799 O VAL A 52 -9.468 -2.345 4.765 1.00 0.24 O ATOM 800 CB VAL A 52 -10.711 -1.341 2.009 1.00 0.29 C ATOM 801 CG1 VAL A 52 -9.510 -1.444 1.062 1.00 0.30 C ATOM 802 CG2 VAL A 52 -11.993 -1.130 1.193 1.00 0.24 C ATOM 0 H VAL A 52 -11.886 -2.010 4.574 1.00 0.28 H new ATOM 0 HA VAL A 52 -10.949 -3.486 2.149 1.00 0.24 H new ATOM 0 HB VAL A 52 -10.570 -0.498 2.685 1.00 0.29 H new ATOM 0 HG11 VAL A 52 -9.422 -0.524 0.484 1.00 0.30 H new ATOM 0 HG12 VAL A 52 -8.600 -1.595 1.643 1.00 0.30 H new ATOM 0 HG13 VAL A 52 -9.652 -2.286 0.385 1.00 0.30 H new ATOM 0 HG21 VAL A 52 -11.910 -0.209 0.616 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -12.135 -1.971 0.515 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.846 -1.060 1.868 1.00 0.24 H new ATOM 812 N ILE A 53 -8.600 -3.520 3.093 1.00 0.18 N ATOM 813 CA ILE A 53 -7.324 -3.749 3.841 1.00 0.16 C ATOM 814 C ILE A 53 -6.249 -2.773 3.351 1.00 0.17 C ATOM 815 O ILE A 53 -6.115 -2.533 2.163 1.00 0.15 O ATOM 816 CB ILE A 53 -6.854 -5.193 3.607 1.00 0.14 C ATOM 817 CG1 ILE A 53 -8.003 -6.170 3.943 1.00 0.36 C ATOM 818 CG2 ILE A 53 -5.630 -5.494 4.491 1.00 0.25 C ATOM 819 CD1 ILE A 53 -8.535 -5.898 5.359 1.00 1.43 C ATOM 0 H ILE A 53 -8.643 -3.935 2.162 1.00 0.18 H new ATOM 0 HA ILE A 53 -7.494 -3.585 4.905 1.00 0.16 H new ATOM 0 HB ILE A 53 -6.572 -5.317 2.561 1.00 0.14 H new ATOM 0 HG12 ILE A 53 -8.808 -6.059 3.217 1.00 0.36 H new ATOM 0 HG13 ILE A 53 -7.648 -7.198 3.871 1.00 0.36 H new ATOM 0 HG21 ILE A 53 -5.301 -6.519 4.321 1.00 0.25 H new ATOM 0 HG22 ILE A 53 -4.822 -4.807 4.239 1.00 0.25 H new ATOM 0 HG23 ILE A 53 -5.899 -5.369 5.540 1.00 0.25 H new ATOM 0 HD11 ILE A 53 -9.344 -6.593 5.583 1.00 1.43 H new ATOM 0 HD12 ILE A 53 -7.730 -6.032 6.082 1.00 1.43 H new ATOM 0 HD13 ILE A 53 -8.908 -4.876 5.417 1.00 1.43 H new ATOM 831 N PHE A 54 -5.507 -2.233 4.286 1.00 0.21 N ATOM 832 CA PHE A 54 -4.435 -1.259 3.920 1.00 0.24 C ATOM 833 C PHE A 54 -3.091 -1.701 4.502 1.00 0.24 C ATOM 834 O PHE A 54 -3.024 -2.171 5.620 1.00 0.26 O ATOM 835 CB PHE A 54 -4.806 0.108 4.493 1.00 0.28 C ATOM 836 CG PHE A 54 -6.136 0.560 3.890 1.00 0.30 C ATOM 837 CD1 PHE A 54 -6.168 1.267 2.700 1.00 0.33 C ATOM 838 CD2 PHE A 54 -7.325 0.268 4.529 1.00 0.31 C ATOM 839 CE1 PHE A 54 -7.370 1.671 2.161 1.00 0.35 C ATOM 840 CE2 PHE A 54 -8.528 0.674 3.989 1.00 0.34 C ATOM 841 CZ PHE A 54 -8.549 1.375 2.805 1.00 0.35 C ATOM 0 H PHE A 54 -5.597 -2.424 5.284 1.00 0.21 H new ATOM 0 HA PHE A 54 -4.346 -1.209 2.835 1.00 0.24 H new ATOM 0 HB2 PHE A 54 -4.885 0.051 5.579 1.00 0.28 H new ATOM 0 HB3 PHE A 54 -4.025 0.834 4.268 1.00 0.28 H new ATOM 0 HD1 PHE A 54 -5.245 1.503 2.191 1.00 0.33 H new ATOM 0 HD2 PHE A 54 -7.313 -0.282 5.458 1.00 0.31 H new ATOM 0 HE1 PHE A 54 -7.387 2.221 1.232 1.00 0.35 H new ATOM 0 HE2 PHE A 54 -9.453 0.442 4.496 1.00 0.34 H new ATOM 0 HZ PHE A 54 -9.490 1.693 2.382 1.00 0.35 H new ATOM 851 N LEU A 55 -2.051 -1.548 3.720 1.00 0.27 N ATOM 852 CA LEU A 55 -0.691 -1.939 4.205 1.00 0.29 C ATOM 853 C LEU A 55 0.305 -0.800 3.944 1.00 0.23 C ATOM 854 O LEU A 55 0.095 0.029 3.078 1.00 0.11 O ATOM 855 CB LEU A 55 -0.212 -3.199 3.470 1.00 0.32 C ATOM 856 CG LEU A 55 -1.403 -4.131 3.180 1.00 0.43 C ATOM 857 CD1 LEU A 55 -2.229 -3.590 2.009 1.00 0.50 C ATOM 858 CD2 LEU A 55 -0.873 -5.510 2.795 1.00 0.43 C ATOM 0 H LEU A 55 -2.084 -1.172 2.773 1.00 0.27 H new ATOM 0 HA LEU A 55 -0.748 -2.140 5.275 1.00 0.29 H new ATOM 0 HB2 LEU A 55 0.277 -2.920 2.536 1.00 0.32 H new ATOM 0 HB3 LEU A 55 0.529 -3.722 4.074 1.00 0.32 H new ATOM 0 HG LEU A 55 -2.028 -4.190 4.071 1.00 0.43 H new ATOM 0 HD11 LEU A 55 -3.067 -4.259 1.815 1.00 0.50 H new ATOM 0 HD12 LEU A 55 -2.606 -2.598 2.257 1.00 0.50 H new ATOM 0 HD13 LEU A 55 -1.602 -3.527 1.120 1.00 0.50 H new ATOM 0 HD21 LEU A 55 -1.710 -6.177 2.588 1.00 0.43 H new ATOM 0 HD22 LEU A 55 -0.249 -5.425 1.906 1.00 0.43 H new ATOM 0 HD23 LEU A 55 -0.281 -5.915 3.616 1.00 0.43 H new ATOM 870 N GLU A 56 1.367 -0.798 4.698 1.00 0.36 N ATOM 871 CA GLU A 56 2.407 0.265 4.530 1.00 0.31 C ATOM 872 C GLU A 56 3.796 -0.385 4.516 1.00 0.33 C ATOM 873 O GLU A 56 4.234 -0.925 5.513 1.00 0.38 O ATOM 874 CB GLU A 56 2.315 1.241 5.701 1.00 0.34 C ATOM 875 CG GLU A 56 2.941 2.574 5.291 1.00 0.49 C ATOM 876 CD GLU A 56 2.907 3.534 6.481 1.00 0.96 C ATOM 877 OE1 GLU A 56 3.364 3.111 7.530 1.00 0.92 O ATOM 878 OE2 GLU A 56 2.427 4.636 6.274 1.00 2.01 O ATOM 0 H GLU A 56 1.564 -1.485 5.425 1.00 0.36 H new ATOM 0 HA GLU A 56 2.245 0.798 3.593 1.00 0.31 H new ATOM 0 HB2 GLU A 56 1.274 1.387 5.988 1.00 0.34 H new ATOM 0 HB3 GLU A 56 2.831 0.835 6.571 1.00 0.34 H new ATOM 0 HG2 GLU A 56 3.969 2.421 4.962 1.00 0.49 H new ATOM 0 HG3 GLU A 56 2.397 3.001 4.449 1.00 0.49 H new ATOM 885 N VAL A 57 4.465 -0.318 3.390 1.00 0.29 N ATOM 886 CA VAL A 57 5.822 -0.951 3.305 1.00 0.33 C ATOM 887 C VAL A 57 6.928 0.100 3.424 1.00 0.30 C ATOM 888 O VAL A 57 6.777 1.221 2.980 1.00 0.41 O ATOM 889 CB VAL A 57 5.958 -1.672 1.963 1.00 0.33 C ATOM 890 CG1 VAL A 57 7.349 -2.307 1.868 1.00 0.43 C ATOM 891 CG2 VAL A 57 4.899 -2.767 1.867 1.00 0.38 C ATOM 0 H VAL A 57 4.139 0.139 2.539 1.00 0.29 H new ATOM 0 HA VAL A 57 5.925 -1.658 4.129 1.00 0.33 H new ATOM 0 HB VAL A 57 5.823 -0.959 1.150 1.00 0.33 H new ATOM 0 HG11 VAL A 57 7.449 -2.822 0.913 1.00 0.43 H new ATOM 0 HG12 VAL A 57 8.110 -1.530 1.943 1.00 0.43 H new ATOM 0 HG13 VAL A 57 7.479 -3.022 2.681 1.00 0.43 H new ATOM 0 HG21 VAL A 57 4.994 -3.282 0.911 1.00 0.38 H new ATOM 0 HG22 VAL A 57 5.039 -3.480 2.679 1.00 0.38 H new ATOM 0 HG23 VAL A 57 3.907 -2.321 1.942 1.00 0.38 H new ATOM 901 N ASP A 58 8.021 -0.298 4.026 1.00 0.17 N ATOM 902 CA ASP A 58 9.167 0.643 4.186 1.00 0.14 C ATOM 903 C ASP A 58 10.287 0.262 3.212 1.00 0.14 C ATOM 904 O ASP A 58 10.912 -0.770 3.356 1.00 0.16 O ATOM 905 CB ASP A 58 9.687 0.549 5.620 1.00 0.13 C ATOM 906 CG ASP A 58 10.585 1.752 5.914 1.00 0.21 C ATOM 907 OD1 ASP A 58 10.812 2.500 4.976 1.00 0.92 O ATOM 908 OD2 ASP A 58 10.995 1.854 7.058 1.00 1.11 O ATOM 0 H ASP A 58 8.167 -1.231 4.412 1.00 0.17 H new ATOM 0 HA ASP A 58 8.840 1.661 3.975 1.00 0.14 H new ATOM 0 HB2 ASP A 58 8.852 0.524 6.320 1.00 0.13 H new ATOM 0 HB3 ASP A 58 10.245 -0.377 5.756 1.00 0.13 H new ATOM 913 N VAL A 59 10.517 1.101 2.241 1.00 0.13 N ATOM 914 CA VAL A 59 11.589 0.792 1.250 1.00 0.15 C ATOM 915 C VAL A 59 12.970 0.896 1.909 1.00 0.16 C ATOM 916 O VAL A 59 13.983 0.872 1.238 1.00 0.37 O ATOM 917 CB VAL A 59 11.498 1.781 0.088 1.00 0.14 C ATOM 918 CG1 VAL A 59 10.132 1.639 -0.587 1.00 0.18 C ATOM 919 CG2 VAL A 59 11.648 3.207 0.622 1.00 0.10 C ATOM 0 H VAL A 59 10.017 1.977 2.090 1.00 0.13 H new ATOM 0 HA VAL A 59 11.454 -0.225 0.882 1.00 0.15 H new ATOM 0 HB VAL A 59 12.290 1.574 -0.632 1.00 0.14 H new ATOM 0 HG11 VAL A 59 10.061 2.342 -1.417 1.00 0.18 H new ATOM 0 HG12 VAL A 59 10.015 0.622 -0.962 1.00 0.18 H new ATOM 0 HG13 VAL A 59 9.345 1.851 0.136 1.00 0.18 H new ATOM 0 HG21 VAL A 59 11.583 3.914 -0.205 1.00 0.10 H new ATOM 0 HG22 VAL A 59 10.853 3.413 1.338 1.00 0.10 H new ATOM 0 HG23 VAL A 59 12.615 3.311 1.114 1.00 0.10 H new ATOM 929 N ASP A 60 12.980 1.007 3.209 1.00 0.23 N ATOM 930 CA ASP A 60 14.285 1.112 3.928 1.00 0.22 C ATOM 931 C ASP A 60 14.772 -0.279 4.350 1.00 0.12 C ATOM 932 O ASP A 60 15.877 -0.673 4.038 1.00 0.25 O ATOM 933 CB ASP A 60 14.102 1.985 5.167 1.00 0.29 C ATOM 934 CG ASP A 60 15.472 2.407 5.698 1.00 0.27 C ATOM 935 OD1 ASP A 60 15.997 3.359 5.146 1.00 0.78 O ATOM 936 OD2 ASP A 60 15.916 1.755 6.629 1.00 0.85 O ATOM 0 H ASP A 60 12.150 1.030 3.802 1.00 0.23 H new ATOM 0 HA ASP A 60 15.026 1.557 3.264 1.00 0.22 H new ATOM 0 HB2 ASP A 60 13.508 2.865 4.921 1.00 0.29 H new ATOM 0 HB3 ASP A 60 13.556 1.437 5.934 1.00 0.29 H new ATOM 941 N ASP A 61 13.930 -0.991 5.052 1.00 0.05 N ATOM 942 CA ASP A 61 14.321 -2.360 5.507 1.00 0.24 C ATOM 943 C ASP A 61 13.689 -3.420 4.599 1.00 0.31 C ATOM 944 O ASP A 61 14.175 -4.528 4.504 1.00 0.66 O ATOM 945 CB ASP A 61 13.834 -2.566 6.940 1.00 0.34 C ATOM 946 CG ASP A 61 13.399 -4.021 7.121 1.00 0.75 C ATOM 947 OD1 ASP A 61 14.293 -4.843 7.240 1.00 1.14 O ATOM 948 OD2 ASP A 61 12.197 -4.230 7.129 1.00 2.06 O ATOM 0 H ASP A 61 12.996 -0.688 5.329 1.00 0.05 H new ATOM 0 HA ASP A 61 15.406 -2.457 5.462 1.00 0.24 H new ATOM 0 HB2 ASP A 61 14.628 -2.321 7.645 1.00 0.34 H new ATOM 0 HB3 ASP A 61 13.001 -1.896 7.153 1.00 0.34 H new ATOM 953 N CYS A 62 12.616 -3.052 3.952 1.00 0.11 N ATOM 954 CA CYS A 62 11.932 -4.025 3.048 1.00 0.18 C ATOM 955 C CYS A 62 12.339 -3.775 1.592 1.00 0.15 C ATOM 956 O CYS A 62 11.505 -3.747 0.708 1.00 0.36 O ATOM 957 CB CYS A 62 10.421 -3.851 3.192 1.00 0.26 C ATOM 958 SG CYS A 62 9.781 -3.489 4.845 1.00 0.22 S ATOM 0 H CYS A 62 12.186 -2.129 4.008 1.00 0.11 H new ATOM 0 HA CYS A 62 12.222 -5.039 3.322 1.00 0.18 H new ATOM 0 HB2 CYS A 62 10.109 -3.046 2.526 1.00 0.26 H new ATOM 0 HB3 CYS A 62 9.941 -4.763 2.837 1.00 0.26 H new ATOM 0 HG CYS A 62 10.689 -3.768 5.733 1.00 0.22 H new ATOM 964 N GLN A 63 13.613 -3.599 1.372 1.00 0.11 N ATOM 965 CA GLN A 63 14.089 -3.350 -0.016 1.00 0.14 C ATOM 966 C GLN A 63 13.762 -4.544 -0.917 1.00 0.09 C ATOM 967 O GLN A 63 13.848 -4.455 -2.126 1.00 0.14 O ATOM 968 CB GLN A 63 15.599 -3.123 0.006 1.00 0.28 C ATOM 969 CG GLN A 63 15.888 -1.734 0.577 1.00 0.57 C ATOM 970 CD GLN A 63 17.360 -1.647 0.984 1.00 0.77 C ATOM 971 OE1 GLN A 63 17.689 -1.528 2.147 1.00 1.91 O ATOM 972 NE2 GLN A 63 18.277 -1.703 0.056 1.00 0.86 N ATOM 0 H GLN A 63 14.339 -3.617 2.088 1.00 0.11 H new ATOM 0 HA GLN A 63 13.586 -2.468 -0.412 1.00 0.14 H new ATOM 0 HB2 GLN A 63 16.085 -3.887 0.612 1.00 0.28 H new ATOM 0 HB3 GLN A 63 16.007 -3.208 -1.001 1.00 0.28 H new ATOM 0 HG2 GLN A 63 15.659 -0.969 -0.165 1.00 0.57 H new ATOM 0 HG3 GLN A 63 15.249 -1.543 1.439 1.00 0.57 H new ATOM 0 HE21 GLN A 63 18.007 -1.803 -0.923 1.00 0.86 H new ATOM 0 HE22 GLN A 63 19.263 -1.647 0.310 1.00 0.86 H new ATOM 981 N ASP A 64 13.393 -5.636 -0.309 1.00 0.22 N ATOM 982 CA ASP A 64 13.057 -6.840 -1.112 1.00 0.35 C ATOM 983 C ASP A 64 11.701 -6.656 -1.784 1.00 0.40 C ATOM 984 O ASP A 64 11.589 -6.684 -2.993 1.00 0.65 O ATOM 985 CB ASP A 64 13.013 -8.062 -0.195 1.00 0.48 C ATOM 986 CG ASP A 64 12.335 -7.683 1.124 1.00 0.37 C ATOM 987 OD1 ASP A 64 12.974 -6.968 1.876 1.00 0.65 O ATOM 988 OD2 ASP A 64 11.213 -8.131 1.303 1.00 1.00 O ATOM 0 H ASP A 64 13.310 -5.745 0.702 1.00 0.22 H new ATOM 0 HA ASP A 64 13.817 -6.984 -1.880 1.00 0.35 H new ATOM 0 HB2 ASP A 64 12.467 -8.873 -0.677 1.00 0.48 H new ATOM 0 HB3 ASP A 64 14.023 -8.425 -0.006 1.00 0.48 H new ATOM 993 N VAL A 65 10.705 -6.472 -0.980 1.00 0.32 N ATOM 994 CA VAL A 65 9.340 -6.278 -1.528 1.00 0.33 C ATOM 995 C VAL A 65 9.333 -5.131 -2.532 1.00 0.27 C ATOM 996 O VAL A 65 8.738 -5.223 -3.587 1.00 0.30 O ATOM 997 CB VAL A 65 8.399 -5.962 -0.386 1.00 0.32 C ATOM 998 CG1 VAL A 65 6.954 -6.141 -0.856 1.00 0.39 C ATOM 999 CG2 VAL A 65 8.681 -6.918 0.773 1.00 0.34 C ATOM 0 H VAL A 65 10.773 -6.447 0.037 1.00 0.32 H new ATOM 0 HA VAL A 65 9.019 -7.187 -2.037 1.00 0.33 H new ATOM 0 HB VAL A 65 8.548 -4.933 -0.058 1.00 0.32 H new ATOM 0 HG11 VAL A 65 6.274 -5.914 -0.035 1.00 0.39 H new ATOM 0 HG12 VAL A 65 6.756 -5.466 -1.689 1.00 0.39 H new ATOM 0 HG13 VAL A 65 6.802 -7.171 -1.179 1.00 0.39 H new ATOM 0 HG21 VAL A 65 8.006 -6.696 1.600 1.00 0.34 H new ATOM 0 HG22 VAL A 65 8.526 -7.945 0.443 1.00 0.34 H new ATOM 0 HG23 VAL A 65 9.712 -6.795 1.103 1.00 0.34 H new ATOM 1009 N ALA A 66 9.996 -4.073 -2.180 1.00 0.20 N ATOM 1010 CA ALA A 66 10.050 -2.907 -3.096 1.00 0.18 C ATOM 1011 C ALA A 66 10.646 -3.336 -4.429 1.00 0.21 C ATOM 1012 O ALA A 66 10.100 -3.062 -5.480 1.00 0.26 O ATOM 1013 CB ALA A 66 10.919 -1.816 -2.471 1.00 0.09 C ATOM 0 H ALA A 66 10.502 -3.964 -1.301 1.00 0.20 H new ATOM 0 HA ALA A 66 9.044 -2.521 -3.260 1.00 0.18 H new ATOM 0 HB1 ALA A 66 10.962 -0.957 -3.140 1.00 0.09 H new ATOM 0 HB2 ALA A 66 10.490 -1.511 -1.517 1.00 0.09 H new ATOM 0 HB3 ALA A 66 11.926 -2.201 -2.310 1.00 0.09 H new ATOM 1019 N SER A 67 11.752 -4.003 -4.353 1.00 0.19 N ATOM 1020 CA SER A 67 12.411 -4.477 -5.597 1.00 0.25 C ATOM 1021 C SER A 67 11.474 -5.425 -6.343 1.00 0.39 C ATOM 1022 O SER A 67 11.667 -5.713 -7.507 1.00 0.49 O ATOM 1023 CB SER A 67 13.703 -5.210 -5.237 1.00 0.30 C ATOM 1024 OG SER A 67 14.313 -5.472 -6.492 1.00 1.05 O ATOM 0 H SER A 67 12.232 -4.243 -3.486 1.00 0.19 H new ATOM 0 HA SER A 67 12.642 -3.624 -6.235 1.00 0.25 H new ATOM 0 HB2 SER A 67 14.344 -4.599 -4.602 1.00 0.30 H new ATOM 0 HB3 SER A 67 13.500 -6.132 -4.692 1.00 0.30 H new ATOM 0 HG SER A 67 15.160 -5.945 -6.352 1.00 1.05 H new ATOM 1030 N GLU A 68 10.478 -5.889 -5.646 1.00 0.41 N ATOM 1031 CA GLU A 68 9.506 -6.815 -6.278 1.00 0.55 C ATOM 1032 C GLU A 68 8.597 -6.038 -7.222 1.00 0.58 C ATOM 1033 O GLU A 68 8.213 -6.520 -8.268 1.00 0.65 O ATOM 1034 CB GLU A 68 8.670 -7.482 -5.185 1.00 0.66 C ATOM 1035 CG GLU A 68 8.234 -8.869 -5.657 1.00 0.56 C ATOM 1036 CD GLU A 68 7.197 -9.430 -4.682 1.00 1.47 C ATOM 1037 OE1 GLU A 68 7.433 -9.281 -3.494 1.00 2.13 O ATOM 1038 OE2 GLU A 68 6.226 -9.976 -5.180 1.00 2.00 O ATOM 0 H GLU A 68 10.296 -5.667 -4.667 1.00 0.41 H new ATOM 0 HA GLU A 68 10.039 -7.577 -6.847 1.00 0.55 H new ATOM 0 HB2 GLU A 68 9.251 -7.564 -4.266 1.00 0.66 H new ATOM 0 HB3 GLU A 68 7.796 -6.872 -4.956 1.00 0.66 H new ATOM 0 HG2 GLU A 68 7.812 -8.809 -6.660 1.00 0.56 H new ATOM 0 HG3 GLU A 68 9.095 -9.535 -5.713 1.00 0.56 H new ATOM 1045 N CYS A 69 8.278 -4.845 -6.826 1.00 0.54 N ATOM 1046 CA CYS A 69 7.405 -3.991 -7.676 1.00 0.60 C ATOM 1047 C CYS A 69 8.279 -3.142 -8.604 1.00 0.57 C ATOM 1048 O CYS A 69 7.786 -2.344 -9.376 1.00 0.69 O ATOM 1049 CB CYS A 69 6.568 -3.081 -6.777 1.00 0.61 C ATOM 1050 SG CYS A 69 5.164 -3.833 -5.914 1.00 0.70 S ATOM 0 H CYS A 69 8.582 -4.420 -5.950 1.00 0.54 H new ATOM 0 HA CYS A 69 6.743 -4.615 -8.276 1.00 0.60 H new ATOM 0 HB2 CYS A 69 7.230 -2.644 -6.029 1.00 0.61 H new ATOM 0 HB3 CYS A 69 6.190 -2.260 -7.386 1.00 0.61 H new ATOM 0 HG CYS A 69 4.928 -3.178 -4.816 1.00 0.70 H new ATOM 1056 N GLU A 70 9.565 -3.340 -8.500 1.00 0.44 N ATOM 1057 CA GLU A 70 10.508 -2.570 -9.361 1.00 0.41 C ATOM 1058 C GLU A 70 10.265 -1.068 -9.214 1.00 0.45 C ATOM 1059 O GLU A 70 10.215 -0.347 -10.190 1.00 0.53 O ATOM 1060 CB GLU A 70 10.306 -2.980 -10.818 1.00 0.49 C ATOM 1061 CG GLU A 70 10.175 -4.503 -10.895 1.00 1.11 C ATOM 1062 CD GLU A 70 10.886 -5.008 -12.149 1.00 0.88 C ATOM 1063 OE1 GLU A 70 10.386 -4.699 -13.218 1.00 0.95 O ATOM 1064 OE2 GLU A 70 11.891 -5.677 -11.969 1.00 1.48 O ATOM 0 H GLU A 70 10.003 -4.000 -7.858 1.00 0.44 H new ATOM 0 HA GLU A 70 11.530 -2.789 -9.051 1.00 0.41 H new ATOM 0 HB2 GLU A 70 9.412 -2.505 -11.222 1.00 0.49 H new ATOM 0 HB3 GLU A 70 11.148 -2.644 -11.424 1.00 0.49 H new ATOM 0 HG2 GLU A 70 10.609 -4.962 -10.007 1.00 1.11 H new ATOM 0 HG3 GLU A 70 9.123 -4.788 -10.919 1.00 1.11 H new ATOM 1071 N VAL A 71 10.119 -0.627 -7.997 1.00 0.40 N ATOM 1072 CA VAL A 71 9.888 0.830 -7.778 1.00 0.46 C ATOM 1073 C VAL A 71 11.223 1.561 -7.633 1.00 0.65 C ATOM 1074 O VAL A 71 12.211 0.987 -7.221 1.00 0.79 O ATOM 1075 CB VAL A 71 9.070 1.028 -6.506 1.00 0.34 C ATOM 1076 CG1 VAL A 71 8.056 2.150 -6.727 1.00 0.37 C ATOM 1077 CG2 VAL A 71 8.327 -0.267 -6.178 1.00 0.36 C ATOM 0 H VAL A 71 10.149 -1.201 -7.154 1.00 0.40 H new ATOM 0 HA VAL A 71 9.349 1.234 -8.635 1.00 0.46 H new ATOM 0 HB VAL A 71 9.732 1.290 -5.681 1.00 0.34 H new ATOM 0 HG11 VAL A 71 7.469 2.294 -5.820 1.00 0.37 H new ATOM 0 HG12 VAL A 71 8.582 3.073 -6.970 1.00 0.37 H new ATOM 0 HG13 VAL A 71 7.392 1.884 -7.550 1.00 0.37 H new ATOM 0 HG21 VAL A 71 7.741 -0.130 -5.269 1.00 0.36 H new ATOM 0 HG22 VAL A 71 7.663 -0.524 -7.003 1.00 0.36 H new ATOM 0 HG23 VAL A 71 9.047 -1.071 -6.028 1.00 0.36 H new ATOM 1087 N LYS A 72 11.221 2.815 -7.980 1.00 0.73 N ATOM 1088 CA LYS A 72 12.474 3.613 -7.863 1.00 0.98 C ATOM 1089 C LYS A 72 12.128 5.048 -7.469 1.00 0.91 C ATOM 1090 O LYS A 72 12.892 5.964 -7.703 1.00 1.01 O ATOM 1091 CB LYS A 72 13.209 3.609 -9.202 1.00 1.25 C ATOM 1092 CG LYS A 72 14.705 3.412 -8.948 1.00 1.78 C ATOM 1093 CD LYS A 72 15.461 3.496 -10.276 1.00 1.68 C ATOM 1094 CE LYS A 72 16.539 4.577 -10.170 1.00 2.46 C ATOM 1095 NZ LYS A 72 17.284 4.700 -11.454 1.00 2.38 N ATOM 0 H LYS A 72 10.411 3.322 -8.338 1.00 0.73 H new ATOM 0 HA LYS A 72 13.116 3.174 -7.099 1.00 0.98 H new ATOM 0 HB2 LYS A 72 12.827 2.811 -9.839 1.00 1.25 H new ATOM 0 HB3 LYS A 72 13.037 4.548 -9.729 1.00 1.25 H new ATOM 0 HG2 LYS A 72 15.072 4.173 -8.259 1.00 1.78 H new ATOM 0 HG3 LYS A 72 14.881 2.445 -8.477 1.00 1.78 H new ATOM 0 HD2 LYS A 72 15.915 2.534 -10.512 1.00 1.68 H new ATOM 0 HD3 LYS A 72 14.772 3.730 -11.087 1.00 1.68 H new ATOM 0 HE2 LYS A 72 16.080 5.533 -9.916 1.00 2.46 H new ATOM 0 HE3 LYS A 72 17.230 4.331 -9.364 1.00 2.46 H new ATOM 0 HZ1 LYS A 72 18.011 5.438 -11.364 1.00 2.38 H new ATOM 0 HZ2 LYS A 72 17.738 3.792 -11.680 1.00 2.38 H new ATOM 0 HZ3 LYS A 72 16.624 4.956 -12.215 1.00 2.38 H new ATOM 1109 N CYS A 73 10.976 5.210 -6.876 1.00 0.73 N ATOM 1110 CA CYS A 73 10.551 6.576 -6.457 1.00 0.65 C ATOM 1111 C CYS A 73 9.316 6.489 -5.562 1.00 0.50 C ATOM 1112 O CYS A 73 8.311 5.914 -5.935 1.00 0.44 O ATOM 1113 CB CYS A 73 10.232 7.407 -7.699 1.00 0.66 C ATOM 1114 SG CYS A 73 9.421 6.562 -9.078 1.00 0.70 S ATOM 0 H CYS A 73 10.316 4.462 -6.665 1.00 0.73 H new ATOM 0 HA CYS A 73 11.358 7.049 -5.897 1.00 0.65 H new ATOM 0 HB2 CYS A 73 9.598 8.240 -7.394 1.00 0.66 H new ATOM 0 HB3 CYS A 73 11.165 7.835 -8.067 1.00 0.66 H new ATOM 0 HG CYS A 73 9.220 7.406 -10.046 1.00 0.70 H new ATOM 1120 N THR A 74 9.422 7.068 -4.400 1.00 0.51 N ATOM 1121 CA THR A 74 8.278 7.034 -3.444 1.00 0.39 C ATOM 1122 C THR A 74 7.543 8.394 -3.466 1.00 0.28 C ATOM 1123 O THR A 74 8.127 9.399 -3.820 1.00 0.30 O ATOM 1124 CB THR A 74 8.853 6.770 -2.042 1.00 0.51 C ATOM 1125 OG1 THR A 74 10.025 7.578 -1.979 1.00 0.61 O ATOM 1126 CG2 THR A 74 9.354 5.337 -1.912 1.00 0.59 C ATOM 0 H THR A 74 10.250 7.563 -4.069 1.00 0.51 H new ATOM 0 HA THR A 74 7.568 6.254 -3.717 1.00 0.39 H new ATOM 0 HB THR A 74 8.097 6.966 -1.282 1.00 0.51 H new ATOM 0 HG1 THR A 74 10.453 7.466 -1.105 1.00 0.61 H new ATOM 0 HG21 THR A 74 9.754 5.181 -0.910 1.00 0.59 H new ATOM 0 HG22 THR A 74 8.529 4.646 -2.085 1.00 0.59 H new ATOM 0 HG23 THR A 74 10.138 5.157 -2.648 1.00 0.59 H new ATOM 1134 N PRO A 75 6.268 8.406 -3.088 1.00 0.21 N ATOM 1135 CA PRO A 75 5.502 7.210 -2.668 1.00 0.17 C ATOM 1136 C PRO A 75 4.973 6.443 -3.894 1.00 0.12 C ATOM 1137 O PRO A 75 4.855 7.003 -4.972 1.00 0.13 O ATOM 1138 CB PRO A 75 4.318 7.777 -1.881 1.00 0.17 C ATOM 1139 CG PRO A 75 4.253 9.306 -2.190 1.00 0.24 C ATOM 1140 CD PRO A 75 5.515 9.660 -3.001 1.00 0.23 C ATOM 0 HA PRO A 75 6.114 6.517 -2.091 1.00 0.17 H new ATOM 0 HB2 PRO A 75 3.390 7.285 -2.173 1.00 0.17 H new ATOM 0 HB3 PRO A 75 4.448 7.605 -0.813 1.00 0.17 H new ATOM 0 HG2 PRO A 75 3.352 9.547 -2.755 1.00 0.24 H new ATOM 0 HG3 PRO A 75 4.214 9.884 -1.267 1.00 0.24 H new ATOM 0 HD2 PRO A 75 5.257 10.036 -3.991 1.00 0.23 H new ATOM 0 HD3 PRO A 75 6.097 10.438 -2.507 1.00 0.23 H new ATOM 1148 N THR A 76 4.662 5.181 -3.703 1.00 0.22 N ATOM 1149 CA THR A 76 4.121 4.380 -4.840 1.00 0.18 C ATOM 1150 C THR A 76 2.959 3.508 -4.350 1.00 0.15 C ATOM 1151 O THR A 76 3.133 2.651 -3.507 1.00 0.12 O ATOM 1152 CB THR A 76 5.232 3.502 -5.425 1.00 0.20 C ATOM 1153 OG1 THR A 76 6.179 4.425 -5.953 1.00 0.46 O ATOM 1154 CG2 THR A 76 4.742 2.697 -6.629 1.00 0.25 C ATOM 0 H THR A 76 4.759 4.680 -2.820 1.00 0.22 H new ATOM 0 HA THR A 76 3.755 5.052 -5.617 1.00 0.18 H new ATOM 0 HB THR A 76 5.606 2.819 -4.662 1.00 0.20 H new ATOM 0 HG1 THR A 76 6.903 4.557 -5.306 1.00 0.46 H new ATOM 0 HG21 THR A 76 5.559 2.087 -7.016 1.00 0.25 H new ATOM 0 HG22 THR A 76 3.919 2.051 -6.324 1.00 0.25 H new ATOM 0 HG23 THR A 76 4.399 3.379 -7.407 1.00 0.25 H new ATOM 1162 N PHE A 77 1.794 3.750 -4.892 1.00 0.20 N ATOM 1163 CA PHE A 77 0.604 2.960 -4.457 1.00 0.17 C ATOM 1164 C PHE A 77 0.395 1.741 -5.350 1.00 0.16 C ATOM 1165 O PHE A 77 0.377 1.849 -6.561 1.00 0.19 O ATOM 1166 CB PHE A 77 -0.633 3.843 -4.531 1.00 0.15 C ATOM 1167 CG PHE A 77 -0.633 4.806 -3.349 1.00 0.20 C ATOM 1168 CD1 PHE A 77 -0.798 4.325 -2.064 1.00 0.18 C ATOM 1169 CD2 PHE A 77 -0.472 6.167 -3.545 1.00 0.28 C ATOM 1170 CE1 PHE A 77 -0.804 5.193 -0.991 1.00 0.22 C ATOM 1171 CE2 PHE A 77 -0.476 7.032 -2.469 1.00 0.33 C ATOM 1172 CZ PHE A 77 -0.643 6.543 -1.194 1.00 0.30 C ATOM 0 H PHE A 77 1.616 4.453 -5.609 1.00 0.20 H new ATOM 0 HA PHE A 77 0.773 2.618 -3.436 1.00 0.17 H new ATOM 0 HB2 PHE A 77 -0.642 4.399 -5.468 1.00 0.15 H new ATOM 0 HB3 PHE A 77 -1.534 3.230 -4.516 1.00 0.15 H new ATOM 0 HD1 PHE A 77 -0.923 3.265 -1.899 1.00 0.18 H new ATOM 0 HD2 PHE A 77 -0.343 6.554 -4.545 1.00 0.28 H new ATOM 0 HE1 PHE A 77 -0.935 4.811 0.010 1.00 0.22 H new ATOM 0 HE2 PHE A 77 -0.348 8.093 -2.628 1.00 0.33 H new ATOM 0 HZ PHE A 77 -0.648 7.220 -0.352 1.00 0.30 H new ATOM 1182 N GLN A 78 0.240 0.606 -4.721 1.00 0.16 N ATOM 1183 CA GLN A 78 0.007 -0.652 -5.498 1.00 0.18 C ATOM 1184 C GLN A 78 -1.328 -1.286 -5.078 1.00 0.18 C ATOM 1185 O GLN A 78 -1.762 -1.129 -3.954 1.00 0.17 O ATOM 1186 CB GLN A 78 1.144 -1.629 -5.216 1.00 0.24 C ATOM 1187 CG GLN A 78 2.039 -1.782 -6.456 1.00 0.34 C ATOM 1188 CD GLN A 78 2.808 -0.482 -6.701 1.00 1.27 C ATOM 1189 OE1 GLN A 78 2.604 0.509 -6.030 1.00 2.67 O ATOM 1190 NE2 GLN A 78 3.706 -0.446 -7.650 1.00 1.54 N ATOM 0 H GLN A 78 0.264 0.493 -3.708 1.00 0.16 H new ATOM 0 HA GLN A 78 -0.028 -0.420 -6.563 1.00 0.18 H new ATOM 0 HB2 GLN A 78 1.737 -1.273 -4.373 1.00 0.24 H new ATOM 0 HB3 GLN A 78 0.736 -2.599 -4.932 1.00 0.24 H new ATOM 0 HG2 GLN A 78 2.737 -2.607 -6.313 1.00 0.34 H new ATOM 0 HG3 GLN A 78 1.431 -2.026 -7.327 1.00 0.34 H new ATOM 0 HE21 GLN A 78 3.882 -1.275 -8.217 1.00 1.54 H new ATOM 0 HE22 GLN A 78 4.231 0.411 -7.823 1.00 1.54 H new ATOM 1199 N PHE A 79 -1.942 -1.994 -5.997 1.00 0.19 N ATOM 1200 CA PHE A 79 -3.259 -2.644 -5.687 1.00 0.20 C ATOM 1201 C PHE A 79 -3.141 -4.170 -5.815 1.00 0.23 C ATOM 1202 O PHE A 79 -2.642 -4.671 -6.805 1.00 0.33 O ATOM 1203 CB PHE A 79 -4.310 -2.144 -6.685 1.00 0.20 C ATOM 1204 CG PHE A 79 -4.683 -0.686 -6.374 1.00 0.18 C ATOM 1205 CD1 PHE A 79 -3.739 0.328 -6.477 1.00 0.16 C ATOM 1206 CD2 PHE A 79 -5.975 -0.361 -5.988 1.00 0.19 C ATOM 1207 CE1 PHE A 79 -4.085 1.636 -6.195 1.00 0.15 C ATOM 1208 CE2 PHE A 79 -6.315 0.948 -5.708 1.00 0.18 C ATOM 1209 CZ PHE A 79 -5.372 1.943 -5.813 1.00 0.15 C ATOM 0 H PHE A 79 -1.592 -2.150 -6.942 1.00 0.19 H new ATOM 0 HA PHE A 79 -3.550 -2.390 -4.668 1.00 0.20 H new ATOM 0 HB2 PHE A 79 -3.923 -2.220 -7.701 1.00 0.20 H new ATOM 0 HB3 PHE A 79 -5.199 -2.773 -6.635 1.00 0.20 H new ATOM 0 HD1 PHE A 79 -2.729 0.093 -6.779 1.00 0.16 H new ATOM 0 HD2 PHE A 79 -6.721 -1.138 -5.906 1.00 0.19 H new ATOM 0 HE1 PHE A 79 -3.345 2.419 -6.274 1.00 0.15 H new ATOM 0 HE2 PHE A 79 -7.323 1.190 -5.406 1.00 0.18 H new ATOM 0 HZ PHE A 79 -5.641 2.966 -5.596 1.00 0.15 H new ATOM 1219 N PHE A 80 -3.608 -4.875 -4.808 1.00 0.18 N ATOM 1220 CA PHE A 80 -3.546 -6.371 -4.856 1.00 0.21 C ATOM 1221 C PHE A 80 -4.935 -6.955 -4.562 1.00 0.20 C ATOM 1222 O PHE A 80 -5.640 -6.478 -3.690 1.00 0.23 O ATOM 1223 CB PHE A 80 -2.552 -6.866 -3.806 1.00 0.25 C ATOM 1224 CG PHE A 80 -1.124 -6.572 -4.267 1.00 0.27 C ATOM 1225 CD1 PHE A 80 -0.508 -7.375 -5.211 1.00 0.32 C ATOM 1226 CD2 PHE A 80 -0.428 -5.496 -3.745 1.00 0.24 C ATOM 1227 CE1 PHE A 80 0.782 -7.105 -5.621 1.00 0.35 C ATOM 1228 CE2 PHE A 80 0.861 -5.231 -4.157 1.00 0.27 C ATOM 1229 CZ PHE A 80 1.464 -6.034 -5.094 1.00 0.33 C ATOM 0 H PHE A 80 -4.025 -4.483 -3.964 1.00 0.18 H new ATOM 0 HA PHE A 80 -3.224 -6.691 -5.847 1.00 0.21 H new ATOM 0 HB2 PHE A 80 -2.744 -6.377 -2.851 1.00 0.25 H new ATOM 0 HB3 PHE A 80 -2.680 -7.937 -3.647 1.00 0.25 H new ATOM 0 HD1 PHE A 80 -1.039 -8.217 -5.629 1.00 0.32 H new ATOM 0 HD2 PHE A 80 -0.898 -4.859 -3.010 1.00 0.24 H new ATOM 0 HE1 PHE A 80 1.257 -7.736 -6.357 1.00 0.35 H new ATOM 0 HE2 PHE A 80 1.397 -4.390 -3.742 1.00 0.27 H new ATOM 0 HZ PHE A 80 2.473 -5.824 -5.417 1.00 0.33 H new ATOM 1239 N LYS A 81 -5.295 -7.973 -5.305 1.00 0.19 N ATOM 1240 CA LYS A 81 -6.634 -8.611 -5.096 1.00 0.21 C ATOM 1241 C LYS A 81 -6.484 -10.132 -5.032 1.00 0.27 C ATOM 1242 O LYS A 81 -6.004 -10.750 -5.960 1.00 0.31 O ATOM 1243 CB LYS A 81 -7.550 -8.239 -6.261 1.00 0.14 C ATOM 1244 CG LYS A 81 -8.999 -8.551 -5.881 1.00 0.21 C ATOM 1245 CD LYS A 81 -9.914 -8.183 -7.052 1.00 0.53 C ATOM 1246 CE LYS A 81 -11.370 -8.184 -6.574 1.00 0.53 C ATOM 1247 NZ LYS A 81 -11.800 -9.564 -6.218 1.00 1.55 N ATOM 0 H LYS A 81 -4.725 -8.388 -6.042 1.00 0.19 H new ATOM 0 HA LYS A 81 -7.062 -8.257 -4.158 1.00 0.21 H new ATOM 0 HB2 LYS A 81 -7.444 -7.181 -6.499 1.00 0.14 H new ATOM 0 HB3 LYS A 81 -7.267 -8.797 -7.154 1.00 0.14 H new ATOM 0 HG2 LYS A 81 -9.105 -9.608 -5.639 1.00 0.21 H new ATOM 0 HG3 LYS A 81 -9.283 -7.990 -4.991 1.00 0.21 H new ATOM 0 HD2 LYS A 81 -9.648 -7.201 -7.442 1.00 0.53 H new ATOM 0 HD3 LYS A 81 -9.786 -8.895 -7.867 1.00 0.53 H new ATOM 0 HE2 LYS A 81 -11.476 -7.529 -5.709 1.00 0.53 H new ATOM 0 HE3 LYS A 81 -12.016 -7.786 -7.356 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 -12.812 -9.561 -5.977 1.00 1.55 H new ATOM 0 HZ2 LYS A 81 -11.638 -10.198 -7.027 1.00 1.55 H new ATOM 0 HZ3 LYS A 81 -11.251 -9.899 -5.401 1.00 1.55 H new ATOM 1261 N LYS A 82 -6.903 -10.705 -3.938 1.00 0.31 N ATOM 1262 CA LYS A 82 -6.783 -12.184 -3.798 1.00 0.37 C ATOM 1263 C LYS A 82 -5.307 -12.586 -3.828 1.00 0.45 C ATOM 1264 O LYS A 82 -4.979 -13.755 -3.761 1.00 0.62 O ATOM 1265 CB LYS A 82 -7.522 -12.859 -4.951 1.00 0.30 C ATOM 1266 CG LYS A 82 -8.192 -14.136 -4.438 1.00 0.67 C ATOM 1267 CD LYS A 82 -8.686 -14.959 -5.630 1.00 0.91 C ATOM 1268 CE LYS A 82 -9.440 -16.186 -5.115 1.00 1.67 C ATOM 1269 NZ LYS A 82 -9.675 -17.156 -6.222 1.00 2.08 N ATOM 0 H LYS A 82 -7.319 -10.220 -3.143 1.00 0.31 H new ATOM 0 HA LYS A 82 -7.220 -12.498 -2.850 1.00 0.37 H new ATOM 0 HB2 LYS A 82 -8.270 -12.183 -5.366 1.00 0.30 H new ATOM 0 HB3 LYS A 82 -6.826 -13.097 -5.756 1.00 0.30 H new ATOM 0 HG2 LYS A 82 -7.486 -14.719 -3.846 1.00 0.67 H new ATOM 0 HG3 LYS A 82 -9.026 -13.885 -3.783 1.00 0.67 H new ATOM 0 HD2 LYS A 82 -9.338 -14.354 -6.260 1.00 0.91 H new ATOM 0 HD3 LYS A 82 -7.843 -15.268 -6.248 1.00 0.91 H new ATOM 0 HE2 LYS A 82 -8.868 -16.664 -4.320 1.00 1.67 H new ATOM 0 HE3 LYS A 82 -10.393 -15.880 -4.683 1.00 1.67 H new ATOM 0 HZ1 LYS A 82 -10.188 -17.983 -5.856 1.00 2.08 H new ATOM 0 HZ2 LYS A 82 -10.239 -16.701 -6.968 1.00 2.08 H new ATOM 0 HZ3 LYS A 82 -8.762 -17.461 -6.616 1.00 2.08 H new ATOM 1283 N GLY A 83 -4.451 -11.599 -3.930 1.00 0.34 N ATOM 1284 CA GLY A 83 -2.985 -11.884 -3.965 1.00 0.41 C ATOM 1285 C GLY A 83 -2.419 -11.598 -5.355 1.00 0.40 C ATOM 1286 O GLY A 83 -1.239 -11.778 -5.592 1.00 0.63 O ATOM 0 H GLY A 83 -4.704 -10.613 -3.990 1.00 0.34 H new ATOM 0 HA2 GLY A 83 -2.471 -11.272 -3.223 1.00 0.41 H new ATOM 0 HA3 GLY A 83 -2.804 -12.926 -3.699 1.00 0.41 H new ATOM 1290 N GLN A 84 -3.273 -11.156 -6.243 1.00 0.34 N ATOM 1291 CA GLN A 84 -2.811 -10.850 -7.632 1.00 0.32 C ATOM 1292 C GLN A 84 -2.866 -9.343 -7.891 1.00 0.30 C ATOM 1293 O GLN A 84 -3.845 -8.691 -7.590 1.00 0.27 O ATOM 1294 CB GLN A 84 -3.714 -11.572 -8.631 1.00 0.30 C ATOM 1295 CG GLN A 84 -3.953 -13.007 -8.151 1.00 1.45 C ATOM 1296 CD GLN A 84 -2.609 -13.666 -7.829 1.00 2.80 C ATOM 1297 OE1 GLN A 84 -1.672 -13.598 -8.599 1.00 3.20 O ATOM 1298 NE2 GLN A 84 -2.475 -14.313 -6.703 1.00 4.30 N ATOM 0 H GLN A 84 -4.265 -10.994 -6.068 1.00 0.34 H new ATOM 0 HA GLN A 84 -1.781 -11.189 -7.748 1.00 0.32 H new ATOM 0 HB2 GLN A 84 -4.664 -11.045 -8.727 1.00 0.30 H new ATOM 0 HB3 GLN A 84 -3.252 -11.579 -9.618 1.00 0.30 H new ATOM 0 HG2 GLN A 84 -4.591 -13.005 -7.267 1.00 1.45 H new ATOM 0 HG3 GLN A 84 -4.475 -13.577 -8.919 1.00 1.45 H new ATOM 0 HE21 GLN A 84 -3.259 -14.373 -6.053 1.00 4.30 H new ATOM 0 HE22 GLN A 84 -1.587 -14.758 -6.473 1.00 4.30 H new ATOM 1307 N LYS A 85 -1.806 -8.825 -8.446 1.00 0.32 N ATOM 1308 CA LYS A 85 -1.763 -7.368 -8.738 1.00 0.30 C ATOM 1309 C LYS A 85 -2.742 -7.033 -9.867 1.00 0.26 C ATOM 1310 O LYS A 85 -2.837 -7.756 -10.839 1.00 0.29 O ATOM 1311 CB LYS A 85 -0.340 -7.000 -9.165 1.00 0.35 C ATOM 1312 CG LYS A 85 -0.163 -5.478 -9.155 1.00 0.35 C ATOM 1313 CD LYS A 85 1.332 -5.155 -9.113 1.00 0.45 C ATOM 1314 CE LYS A 85 2.012 -5.767 -10.340 1.00 0.65 C ATOM 1315 NZ LYS A 85 3.357 -5.160 -10.548 1.00 0.69 N ATOM 0 H LYS A 85 -0.970 -9.347 -8.709 1.00 0.32 H new ATOM 0 HA LYS A 85 -2.046 -6.804 -7.850 1.00 0.30 H new ATOM 0 HB2 LYS A 85 0.381 -7.462 -8.491 1.00 0.35 H new ATOM 0 HB3 LYS A 85 -0.139 -7.391 -10.163 1.00 0.35 H new ATOM 0 HG2 LYS A 85 -0.619 -5.039 -10.043 1.00 0.35 H new ATOM 0 HG3 LYS A 85 -0.667 -5.045 -8.291 1.00 0.35 H new ATOM 0 HD2 LYS A 85 1.483 -4.076 -9.099 1.00 0.45 H new ATOM 0 HD3 LYS A 85 1.777 -5.551 -8.200 1.00 0.45 H new ATOM 0 HE2 LYS A 85 2.109 -6.845 -10.210 1.00 0.65 H new ATOM 0 HE3 LYS A 85 1.394 -5.607 -11.223 1.00 0.65 H new ATOM 0 HZ1 LYS A 85 3.852 -5.666 -11.309 1.00 0.69 H new ATOM 0 HZ2 LYS A 85 3.249 -4.159 -10.811 1.00 0.69 H new ATOM 0 HZ3 LYS A 85 3.909 -5.230 -9.669 1.00 0.69 H new ATOM 1329 N VAL A 86 -3.449 -5.944 -9.709 1.00 0.19 N ATOM 1330 CA VAL A 86 -4.430 -5.540 -10.765 1.00 0.17 C ATOM 1331 C VAL A 86 -4.300 -4.043 -11.080 1.00 0.18 C ATOM 1332 O VAL A 86 -4.682 -3.599 -12.145 1.00 0.20 O ATOM 1333 CB VAL A 86 -5.842 -5.837 -10.266 1.00 0.15 C ATOM 1334 CG1 VAL A 86 -6.140 -7.325 -10.462 1.00 0.17 C ATOM 1335 CG2 VAL A 86 -5.928 -5.501 -8.778 1.00 0.19 C ATOM 0 H VAL A 86 -3.392 -5.321 -8.903 1.00 0.19 H new ATOM 0 HA VAL A 86 -4.226 -6.103 -11.676 1.00 0.17 H new ATOM 0 HB VAL A 86 -6.564 -5.239 -10.822 1.00 0.15 H new ATOM 0 HG11 VAL A 86 -7.147 -7.544 -10.108 1.00 0.17 H new ATOM 0 HG12 VAL A 86 -6.065 -7.575 -11.520 1.00 0.17 H new ATOM 0 HG13 VAL A 86 -5.420 -7.918 -9.898 1.00 0.17 H new ATOM 0 HG21 VAL A 86 -6.934 -5.711 -8.415 1.00 0.19 H new ATOM 0 HG22 VAL A 86 -5.209 -6.107 -8.226 1.00 0.19 H new ATOM 0 HG23 VAL A 86 -5.702 -4.445 -8.630 1.00 0.19 H new ATOM 1345 N GLY A 87 -3.766 -3.298 -10.151 1.00 0.18 N ATOM 1346 CA GLY A 87 -3.608 -1.835 -10.392 1.00 0.19 C ATOM 1347 C GLY A 87 -2.338 -1.313 -9.719 1.00 0.21 C ATOM 1348 O GLY A 87 -1.862 -1.879 -8.755 1.00 0.22 O ATOM 0 H GLY A 87 -3.436 -3.633 -9.246 1.00 0.18 H new ATOM 0 HA2 GLY A 87 -3.565 -1.640 -11.464 1.00 0.19 H new ATOM 0 HA3 GLY A 87 -4.476 -1.301 -10.006 1.00 0.19 H new ATOM 1352 N GLU A 88 -1.808 -0.244 -10.248 1.00 0.21 N ATOM 1353 CA GLU A 88 -0.576 0.333 -9.640 1.00 0.22 C ATOM 1354 C GLU A 88 -0.268 1.700 -10.253 1.00 0.21 C ATOM 1355 O GLU A 88 -0.124 1.832 -11.453 1.00 0.25 O ATOM 1356 CB GLU A 88 0.598 -0.614 -9.888 1.00 0.29 C ATOM 1357 CG GLU A 88 0.912 -0.641 -11.386 1.00 0.71 C ATOM 1358 CD GLU A 88 1.584 -1.970 -11.739 1.00 1.32 C ATOM 1359 OE1 GLU A 88 2.731 -2.116 -11.347 1.00 1.04 O ATOM 1360 OE2 GLU A 88 0.914 -2.762 -12.379 1.00 2.44 O ATOM 0 H GLU A 88 -2.169 0.249 -11.064 1.00 0.21 H new ATOM 0 HA GLU A 88 -0.733 0.458 -8.569 1.00 0.22 H new ATOM 0 HB2 GLU A 88 1.472 -0.284 -9.326 1.00 0.29 H new ATOM 0 HB3 GLU A 88 0.353 -1.616 -9.537 1.00 0.29 H new ATOM 0 HG2 GLU A 88 -0.004 -0.519 -11.963 1.00 0.71 H new ATOM 0 HG3 GLU A 88 1.566 0.191 -11.647 1.00 0.71 H new ATOM 1367 N PHE A 89 -0.175 2.685 -9.409 1.00 0.17 N ATOM 1368 CA PHE A 89 0.132 4.050 -9.898 1.00 0.17 C ATOM 1369 C PHE A 89 0.974 4.792 -8.860 1.00 0.16 C ATOM 1370 O PHE A 89 0.672 4.762 -7.680 1.00 0.14 O ATOM 1371 CB PHE A 89 -1.184 4.774 -10.143 1.00 0.16 C ATOM 1372 CG PHE A 89 -1.657 5.480 -8.867 1.00 0.15 C ATOM 1373 CD1 PHE A 89 -1.121 6.700 -8.488 1.00 0.18 C ATOM 1374 CD2 PHE A 89 -2.635 4.902 -8.075 1.00 0.13 C ATOM 1375 CE1 PHE A 89 -1.558 7.329 -7.340 1.00 0.19 C ATOM 1376 CE2 PHE A 89 -3.070 5.534 -6.928 1.00 0.14 C ATOM 1377 CZ PHE A 89 -2.533 6.746 -6.561 1.00 0.17 C ATOM 0 H PHE A 89 -0.299 2.602 -8.400 1.00 0.17 H new ATOM 0 HA PHE A 89 0.702 4.006 -10.826 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -1.061 5.503 -10.944 1.00 0.16 H new ATOM 0 HB3 PHE A 89 -1.941 4.062 -10.473 1.00 0.16 H new ATOM 0 HD1 PHE A 89 -0.356 7.162 -9.095 1.00 0.18 H new ATOM 0 HD2 PHE A 89 -3.060 3.950 -8.357 1.00 0.13 H new ATOM 0 HE1 PHE A 89 -1.135 8.280 -7.052 1.00 0.19 H new ATOM 0 HE2 PHE A 89 -3.834 5.076 -6.317 1.00 0.14 H new ATOM 0 HZ PHE A 89 -2.875 7.240 -5.664 1.00 0.17 H new ATOM 1387 N SER A 90 2.013 5.443 -9.322 1.00 0.21 N ATOM 1388 CA SER A 90 2.901 6.179 -8.374 1.00 0.23 C ATOM 1389 C SER A 90 2.726 7.689 -8.512 1.00 0.29 C ATOM 1390 O SER A 90 2.129 8.167 -9.456 1.00 0.33 O ATOM 1391 CB SER A 90 4.354 5.808 -8.663 1.00 0.29 C ATOM 1392 OG SER A 90 4.714 6.642 -9.754 1.00 0.26 O ATOM 0 H SER A 90 2.282 5.496 -10.305 1.00 0.21 H new ATOM 0 HA SER A 90 2.632 5.897 -7.356 1.00 0.23 H new ATOM 0 HB2 SER A 90 4.991 5.987 -7.797 1.00 0.29 H new ATOM 0 HB3 SER A 90 4.453 4.753 -8.918 1.00 0.29 H new ATOM 0 HG SER A 90 5.645 6.467 -10.006 1.00 0.26 H new ATOM 1398 N GLY A 91 3.261 8.405 -7.551 1.00 0.29 N ATOM 1399 CA GLY A 91 3.150 9.893 -7.576 1.00 0.35 C ATOM 1400 C GLY A 91 2.536 10.395 -6.270 1.00 0.35 C ATOM 1401 O GLY A 91 1.787 9.689 -5.623 1.00 0.45 O ATOM 0 H GLY A 91 3.768 8.021 -6.753 1.00 0.29 H new ATOM 0 HA2 GLY A 91 4.135 10.337 -7.718 1.00 0.35 H new ATOM 0 HA3 GLY A 91 2.535 10.206 -8.420 1.00 0.35 H new ATOM 1405 N ALA A 92 2.863 11.603 -5.907 1.00 0.36 N ATOM 1406 CA ALA A 92 2.301 12.167 -4.643 1.00 0.38 C ATOM 1407 C ALA A 92 0.804 12.473 -4.804 1.00 0.31 C ATOM 1408 O ALA A 92 0.266 13.314 -4.112 1.00 0.43 O ATOM 1409 CB ALA A 92 3.049 13.453 -4.298 1.00 0.53 C ATOM 0 H ALA A 92 3.489 12.221 -6.423 1.00 0.36 H new ATOM 0 HA ALA A 92 2.420 11.435 -3.844 1.00 0.38 H new ATOM 0 HB1 ALA A 92 2.646 13.872 -3.376 1.00 0.53 H new ATOM 0 HB2 ALA A 92 4.108 13.233 -4.164 1.00 0.53 H new ATOM 0 HB3 ALA A 92 2.928 14.173 -5.108 1.00 0.53 H new ATOM 1415 N ASN A 93 0.165 11.787 -5.714 1.00 0.87 N ATOM 1416 CA ASN A 93 -1.293 12.028 -5.923 1.00 0.86 C ATOM 1417 C ASN A 93 -2.106 11.231 -4.900 1.00 0.83 C ATOM 1418 O ASN A 93 -2.249 10.031 -5.019 1.00 0.91 O ATOM 1419 CB ASN A 93 -1.678 11.587 -7.334 1.00 0.87 C ATOM 1420 CG ASN A 93 -2.820 12.467 -7.845 1.00 0.94 C ATOM 1421 OD1 ASN A 93 -2.796 12.946 -8.961 1.00 0.92 O ATOM 1422 ND2 ASN A 93 -3.837 12.704 -7.063 1.00 1.06 N ATOM 0 H ASN A 93 0.583 11.078 -6.316 1.00 0.87 H new ATOM 0 HA ASN A 93 -1.505 13.090 -5.797 1.00 0.86 H new ATOM 0 HB2 ASN A 93 -0.818 11.665 -7.999 1.00 0.87 H new ATOM 0 HB3 ASN A 93 -1.984 10.541 -7.330 1.00 0.87 H new ATOM 0 HD21 ASN A 93 -4.606 13.289 -7.390 1.00 1.06 H new ATOM 0 HD22 ASN A 93 -3.863 12.305 -6.125 1.00 1.06 H new ATOM 1429 N LYS A 94 -2.622 11.915 -3.917 1.00 0.82 N ATOM 1430 CA LYS A 94 -3.421 11.209 -2.876 1.00 0.88 C ATOM 1431 C LYS A 94 -4.914 11.276 -3.217 1.00 0.73 C ATOM 1432 O LYS A 94 -5.655 10.347 -2.959 1.00 0.61 O ATOM 1433 CB LYS A 94 -3.174 11.871 -1.519 1.00 1.08 C ATOM 1434 CG LYS A 94 -3.966 13.180 -1.443 1.00 0.71 C ATOM 1435 CD LYS A 94 -3.387 14.056 -0.332 1.00 0.77 C ATOM 1436 CE LYS A 94 -4.238 15.322 -0.201 1.00 1.61 C ATOM 1437 NZ LYS A 94 -3.535 16.340 0.627 1.00 1.66 N ATOM 0 H LYS A 94 -2.527 12.922 -3.789 1.00 0.82 H new ATOM 0 HA LYS A 94 -3.117 10.163 -2.838 1.00 0.88 H new ATOM 0 HB2 LYS A 94 -3.478 11.202 -0.714 1.00 1.08 H new ATOM 0 HB3 LYS A 94 -2.110 12.068 -1.386 1.00 1.08 H new ATOM 0 HG2 LYS A 94 -3.918 13.704 -2.398 1.00 0.71 H new ATOM 0 HG3 LYS A 94 -5.018 12.971 -1.247 1.00 0.71 H new ATOM 0 HD2 LYS A 94 -3.377 13.510 0.611 1.00 0.77 H new ATOM 0 HD3 LYS A 94 -2.354 14.319 -0.559 1.00 0.77 H new ATOM 0 HE2 LYS A 94 -4.447 15.730 -1.190 1.00 1.61 H new ATOM 0 HE3 LYS A 94 -5.198 15.076 0.252 1.00 1.61 H new ATOM 0 HZ1 LYS A 94 -3.735 17.290 0.253 1.00 1.66 H new ATOM 0 HZ2 LYS A 94 -3.868 16.278 1.610 1.00 1.66 H new ATOM 0 HZ3 LYS A 94 -2.510 16.165 0.597 1.00 1.66 H new ATOM 1451 N GLU A 95 -5.322 12.374 -3.790 1.00 0.79 N ATOM 1452 CA GLU A 95 -6.757 12.523 -4.153 1.00 0.67 C ATOM 1453 C GLU A 95 -7.172 11.433 -5.146 1.00 0.46 C ATOM 1454 O GLU A 95 -8.336 11.104 -5.259 1.00 0.46 O ATOM 1455 CB GLU A 95 -6.967 13.896 -4.788 1.00 0.67 C ATOM 1456 CG GLU A 95 -6.515 14.977 -3.804 1.00 1.67 C ATOM 1457 CD GLU A 95 -7.284 16.269 -4.086 1.00 1.50 C ATOM 1458 OE1 GLU A 95 -6.785 17.030 -4.899 1.00 2.26 O ATOM 1459 OE2 GLU A 95 -8.327 16.423 -3.472 1.00 1.41 O ATOM 0 H GLU A 95 -4.727 13.170 -4.021 1.00 0.79 H new ATOM 0 HA GLU A 95 -7.366 12.427 -3.254 1.00 0.67 H new ATOM 0 HB2 GLU A 95 -6.400 13.972 -5.716 1.00 0.67 H new ATOM 0 HB3 GLU A 95 -8.017 14.035 -5.043 1.00 0.67 H new ATOM 0 HG2 GLU A 95 -6.693 14.650 -2.780 1.00 1.67 H new ATOM 0 HG3 GLU A 95 -5.443 15.149 -3.902 1.00 1.67 H new ATOM 1466 N LYS A 96 -6.210 10.897 -5.843 1.00 0.44 N ATOM 1467 CA LYS A 96 -6.529 9.831 -6.835 1.00 0.28 C ATOM 1468 C LYS A 96 -6.819 8.505 -6.119 1.00 0.23 C ATOM 1469 O LYS A 96 -7.604 7.707 -6.588 1.00 0.28 O ATOM 1470 CB LYS A 96 -5.339 9.664 -7.780 1.00 0.47 C ATOM 1471 CG LYS A 96 -5.601 8.483 -8.724 1.00 0.47 C ATOM 1472 CD LYS A 96 -5.013 8.792 -10.109 1.00 0.72 C ATOM 1473 CE LYS A 96 -3.494 8.960 -9.989 1.00 1.66 C ATOM 1474 NZ LYS A 96 -2.875 9.095 -11.337 1.00 1.92 N ATOM 0 H LYS A 96 -5.224 11.148 -5.771 1.00 0.44 H new ATOM 0 HA LYS A 96 -7.415 10.116 -7.402 1.00 0.28 H new ATOM 0 HB2 LYS A 96 -5.186 10.577 -8.355 1.00 0.47 H new ATOM 0 HB3 LYS A 96 -4.427 9.492 -7.208 1.00 0.47 H new ATOM 0 HG2 LYS A 96 -5.152 7.575 -8.321 1.00 0.47 H new ATOM 0 HG3 LYS A 96 -6.672 8.300 -8.805 1.00 0.47 H new ATOM 0 HD2 LYS A 96 -5.247 7.986 -10.804 1.00 0.72 H new ATOM 0 HD3 LYS A 96 -5.460 9.701 -10.512 1.00 0.72 H new ATOM 0 HE2 LYS A 96 -3.266 9.840 -9.388 1.00 1.66 H new ATOM 0 HE3 LYS A 96 -3.067 8.101 -9.471 1.00 1.66 H new ATOM 0 HZ1 LYS A 96 -1.846 9.208 -11.237 1.00 1.92 H new ATOM 0 HZ2 LYS A 96 -3.077 8.243 -11.899 1.00 1.92 H new ATOM 0 HZ3 LYS A 96 -3.269 9.928 -11.818 1.00 1.92 H new ATOM 1488 N LEU A 97 -6.185 8.301 -4.996 1.00 0.15 N ATOM 1489 CA LEU A 97 -6.421 7.031 -4.242 1.00 0.12 C ATOM 1490 C LEU A 97 -7.919 6.738 -4.168 1.00 0.16 C ATOM 1491 O LEU A 97 -8.372 5.697 -4.584 1.00 0.19 O ATOM 1492 CB LEU A 97 -5.881 7.174 -2.817 1.00 0.11 C ATOM 1493 CG LEU A 97 -4.347 7.248 -2.848 1.00 0.23 C ATOM 1494 CD1 LEU A 97 -3.845 7.861 -1.531 1.00 0.35 C ATOM 1495 CD2 LEU A 97 -3.754 5.833 -3.009 1.00 0.31 C ATOM 0 H LEU A 97 -5.521 8.948 -4.570 1.00 0.15 H new ATOM 0 HA LEU A 97 -5.912 6.217 -4.757 1.00 0.12 H new ATOM 0 HB2 LEU A 97 -6.288 8.072 -2.352 1.00 0.11 H new ATOM 0 HB3 LEU A 97 -6.201 6.327 -2.210 1.00 0.11 H new ATOM 0 HG LEU A 97 -4.034 7.865 -3.690 1.00 0.23 H new ATOM 0 HD11 LEU A 97 -2.757 7.916 -1.547 1.00 0.35 H new ATOM 0 HD12 LEU A 97 -4.257 8.863 -1.416 1.00 0.35 H new ATOM 0 HD13 LEU A 97 -4.165 7.239 -0.695 1.00 0.35 H new ATOM 0 HD21 LEU A 97 -2.666 5.895 -3.030 1.00 0.31 H new ATOM 0 HD22 LEU A 97 -4.066 5.210 -2.171 1.00 0.31 H new ATOM 0 HD23 LEU A 97 -4.111 5.393 -3.940 1.00 0.31 H new ATOM 1507 N GLU A 98 -8.653 7.673 -3.630 1.00 0.16 N ATOM 1508 CA GLU A 98 -10.126 7.475 -3.503 1.00 0.20 C ATOM 1509 C GLU A 98 -10.711 6.900 -4.790 1.00 0.25 C ATOM 1510 O GLU A 98 -11.038 5.734 -4.865 1.00 0.33 O ATOM 1511 CB GLU A 98 -10.790 8.817 -3.204 1.00 0.26 C ATOM 1512 CG GLU A 98 -12.305 8.619 -3.150 1.00 0.46 C ATOM 1513 CD GLU A 98 -12.934 9.735 -2.312 1.00 0.39 C ATOM 1514 OE1 GLU A 98 -12.677 10.878 -2.652 1.00 1.41 O ATOM 1515 OE2 GLU A 98 -13.635 9.380 -1.379 1.00 0.89 O ATOM 0 H GLU A 98 -8.300 8.561 -3.274 1.00 0.16 H new ATOM 0 HA GLU A 98 -10.314 6.772 -2.692 1.00 0.20 H new ATOM 0 HB2 GLU A 98 -10.428 9.214 -2.256 1.00 0.26 H new ATOM 0 HB3 GLU A 98 -10.532 9.545 -3.973 1.00 0.26 H new ATOM 0 HG2 GLU A 98 -12.720 8.628 -4.158 1.00 0.46 H new ATOM 0 HG3 GLU A 98 -12.541 7.647 -2.717 1.00 0.46 H new ATOM 1522 N ALA A 99 -10.829 7.733 -5.772 1.00 0.21 N ATOM 1523 CA ALA A 99 -11.408 7.264 -7.065 1.00 0.25 C ATOM 1524 C ALA A 99 -10.774 5.936 -7.483 1.00 0.22 C ATOM 1525 O ALA A 99 -11.450 5.050 -7.962 1.00 0.24 O ATOM 1526 CB ALA A 99 -11.152 8.316 -8.143 1.00 0.29 C ATOM 0 H ALA A 99 -10.554 8.715 -5.745 1.00 0.21 H new ATOM 0 HA ALA A 99 -12.481 7.115 -6.941 1.00 0.25 H new ATOM 0 HB1 ALA A 99 -11.573 7.977 -9.089 1.00 0.29 H new ATOM 0 HB2 ALA A 99 -11.621 9.256 -7.853 1.00 0.29 H new ATOM 0 HB3 ALA A 99 -10.078 8.466 -8.257 1.00 0.29 H new ATOM 1532 N THR A 100 -9.491 5.824 -7.293 1.00 0.18 N ATOM 1533 CA THR A 100 -8.811 4.556 -7.675 1.00 0.18 C ATOM 1534 C THR A 100 -9.403 3.385 -6.889 1.00 0.17 C ATOM 1535 O THR A 100 -9.600 2.315 -7.425 1.00 0.29 O ATOM 1536 CB THR A 100 -7.319 4.671 -7.375 1.00 0.16 C ATOM 1537 OG1 THR A 100 -6.923 5.908 -7.960 1.00 0.22 O ATOM 1538 CG2 THR A 100 -6.518 3.602 -8.111 1.00 0.21 C ATOM 0 H THR A 100 -8.889 6.545 -6.895 1.00 0.18 H new ATOM 0 HA THR A 100 -8.958 4.378 -8.740 1.00 0.18 H new ATOM 0 HB THR A 100 -7.147 4.580 -6.302 1.00 0.16 H new ATOM 0 HG1 THR A 100 -7.197 6.648 -7.378 1.00 0.22 H new ATOM 0 HG21 THR A 100 -5.460 3.713 -7.875 1.00 0.21 H new ATOM 0 HG22 THR A 100 -6.857 2.614 -7.800 1.00 0.21 H new ATOM 0 HG23 THR A 100 -6.664 3.714 -9.185 1.00 0.21 H new ATOM 1546 N ILE A 101 -9.670 3.605 -5.633 1.00 0.05 N ATOM 1547 CA ILE A 101 -10.261 2.507 -4.823 1.00 0.08 C ATOM 1548 C ILE A 101 -11.624 2.166 -5.392 1.00 0.10 C ATOM 1549 O ILE A 101 -11.969 1.013 -5.548 1.00 0.15 O ATOM 1550 CB ILE A 101 -10.393 2.960 -3.363 1.00 0.08 C ATOM 1551 CG1 ILE A 101 -9.095 2.604 -2.619 1.00 0.08 C ATOM 1552 CG2 ILE A 101 -11.581 2.236 -2.705 1.00 0.19 C ATOM 1553 CD1 ILE A 101 -9.118 3.198 -1.202 1.00 0.84 C ATOM 0 H ILE A 101 -9.508 4.483 -5.139 1.00 0.05 H new ATOM 0 HA ILE A 101 -9.621 1.626 -4.857 1.00 0.08 H new ATOM 0 HB ILE A 101 -10.564 4.036 -3.320 1.00 0.08 H new ATOM 0 HG12 ILE A 101 -8.983 1.521 -2.566 1.00 0.08 H new ATOM 0 HG13 ILE A 101 -8.235 2.987 -3.168 1.00 0.08 H new ATOM 0 HG21 ILE A 101 -11.674 2.558 -1.668 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -12.497 2.477 -3.244 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -11.414 1.159 -2.737 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -8.194 2.940 -0.684 1.00 0.84 H new ATOM 0 HD12 ILE A 101 -9.209 4.282 -1.264 1.00 0.84 H new ATOM 0 HD13 ILE A 101 -9.968 2.794 -0.652 1.00 0.84 H new ATOM 1565 N ASN A 102 -12.367 3.181 -5.693 1.00 0.10 N ATOM 1566 CA ASN A 102 -13.707 2.946 -6.271 1.00 0.16 C ATOM 1567 C ASN A 102 -13.549 2.187 -7.586 1.00 0.20 C ATOM 1568 O ASN A 102 -14.506 1.683 -8.139 1.00 0.24 O ATOM 1569 CB ASN A 102 -14.390 4.290 -6.523 1.00 0.18 C ATOM 1570 CG ASN A 102 -15.184 4.218 -7.827 1.00 1.25 C ATOM 1571 OD1 ASN A 102 -16.397 4.134 -7.826 1.00 1.18 O ATOM 1572 ND2 ASN A 102 -14.541 4.247 -8.959 1.00 2.79 N ATOM 0 H ASN A 102 -12.107 4.159 -5.565 1.00 0.10 H new ATOM 0 HA ASN A 102 -14.317 2.360 -5.583 1.00 0.16 H new ATOM 0 HB2 ASN A 102 -15.053 4.535 -5.693 1.00 0.18 H new ATOM 0 HB3 ASN A 102 -13.645 5.084 -6.581 1.00 0.18 H new ATOM 0 HD21 ASN A 102 -15.055 4.199 -9.839 1.00 2.79 H new ATOM 0 HD22 ASN A 102 -13.523 4.317 -8.966 1.00 2.79 H new ATOM 1579 N GLU A 103 -12.328 2.126 -8.059 1.00 0.20 N ATOM 1580 CA GLU A 103 -12.072 1.406 -9.335 1.00 0.25 C ATOM 1581 C GLU A 103 -12.146 -0.112 -9.128 1.00 0.26 C ATOM 1582 O GLU A 103 -12.804 -0.805 -9.879 1.00 0.27 O ATOM 1583 CB GLU A 103 -10.680 1.777 -9.846 1.00 0.27 C ATOM 1584 CG GLU A 103 -10.657 1.656 -11.369 1.00 0.29 C ATOM 1585 CD GLU A 103 -9.236 1.914 -11.874 1.00 1.38 C ATOM 1586 OE1 GLU A 103 -8.943 3.077 -12.094 1.00 1.52 O ATOM 1587 OE2 GLU A 103 -8.525 0.933 -12.014 1.00 2.58 O ATOM 0 H GLU A 103 -11.507 2.541 -7.618 1.00 0.20 H new ATOM 0 HA GLU A 103 -12.832 1.696 -10.060 1.00 0.25 H new ATOM 0 HB2 GLU A 103 -10.428 2.794 -9.546 1.00 0.27 H new ATOM 0 HB3 GLU A 103 -9.930 1.120 -9.405 1.00 0.27 H new ATOM 0 HG2 GLU A 103 -10.988 0.663 -11.672 1.00 0.29 H new ATOM 0 HG3 GLU A 103 -11.349 2.372 -11.813 1.00 0.29 H new ATOM 1594 N LEU A 104 -11.472 -0.597 -8.111 1.00 0.26 N ATOM 1595 CA LEU A 104 -11.481 -2.077 -7.864 1.00 0.27 C ATOM 1596 C LEU A 104 -12.431 -2.446 -6.714 1.00 0.26 C ATOM 1597 O LEU A 104 -12.559 -3.604 -6.371 1.00 0.30 O ATOM 1598 CB LEU A 104 -10.064 -2.534 -7.511 1.00 0.28 C ATOM 1599 CG LEU A 104 -9.065 -1.915 -8.493 1.00 0.27 C ATOM 1600 CD1 LEU A 104 -7.687 -2.526 -8.249 1.00 0.28 C ATOM 1601 CD2 LEU A 104 -9.500 -2.225 -9.928 1.00 0.31 C ATOM 0 H LEU A 104 -10.925 -0.044 -7.451 1.00 0.26 H new ATOM 0 HA LEU A 104 -11.830 -2.574 -8.769 1.00 0.27 H new ATOM 0 HB2 LEU A 104 -9.819 -2.237 -6.491 1.00 0.28 H new ATOM 0 HB3 LEU A 104 -10.001 -3.622 -7.550 1.00 0.28 H new ATOM 0 HG LEU A 104 -9.029 -0.835 -8.347 1.00 0.27 H new ATOM 0 HD11 LEU A 104 -6.968 -2.092 -8.944 1.00 0.28 H new ATOM 0 HD12 LEU A 104 -7.373 -2.319 -7.226 1.00 0.28 H new ATOM 0 HD13 LEU A 104 -7.735 -3.604 -8.403 1.00 0.28 H new ATOM 0 HD21 LEU A 104 -8.789 -1.784 -10.627 1.00 0.31 H new ATOM 0 HD22 LEU A 104 -9.530 -3.305 -10.074 1.00 0.31 H new ATOM 0 HD23 LEU A 104 -10.491 -1.807 -10.106 1.00 0.31 H new ATOM 1613 N VAL A 105 -13.077 -1.468 -6.142 1.00 0.22 N ATOM 1614 CA VAL A 105 -14.012 -1.782 -5.019 1.00 0.21 C ATOM 1615 C VAL A 105 -15.081 -2.776 -5.487 1.00 0.13 C ATOM 1616 O VAL A 105 -15.554 -3.506 -4.631 1.00 1.28 O ATOM 1617 CB VAL A 105 -14.687 -0.498 -4.543 1.00 0.27 C ATOM 1618 CG1 VAL A 105 -15.849 -0.160 -5.481 1.00 0.34 C ATOM 1619 CG2 VAL A 105 -15.226 -0.708 -3.128 1.00 0.43 C ATOM 1620 OXT VAL A 105 -15.365 -2.747 -6.674 1.00 1.10 O ATOM 0 H VAL A 105 -13.003 -0.483 -6.395 1.00 0.22 H new ATOM 0 HA VAL A 105 -13.446 -2.225 -4.199 1.00 0.21 H new ATOM 0 HB VAL A 105 -13.965 0.319 -4.544 1.00 0.27 H new ATOM 0 HG11 VAL A 105 -16.334 0.756 -5.144 1.00 0.34 H new ATOM 0 HG12 VAL A 105 -15.470 -0.019 -6.493 1.00 0.34 H new ATOM 0 HG13 VAL A 105 -16.571 -0.976 -5.474 1.00 0.34 H new ATOM 0 HG21 VAL A 105 -15.709 0.206 -2.783 1.00 0.43 H new ATOM 0 HG22 VAL A 105 -15.951 -1.522 -3.132 1.00 0.43 H new ATOM 0 HG23 VAL A 105 -14.403 -0.958 -2.459 1.00 0.43 H new