USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 82 SER OG : rot -167:sc= 1.95 USER MOD Set 1.2: A 104 THR OG1 : rot 91:sc= 1.34 USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0.843 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 167:sc= 0.961 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.811 K(o=0.81,f=-1.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.358 K(o=0.36,f=-5!) USER MOD Single : A 28 SER OG : rot -33:sc= 0.077 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.588 K(o=0.59,f=-0.79) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 133:sc= 0.94 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 110:sc= 0 USER MOD Single : A 56 TYR OH : rot 166:sc= -0.0489 USER MOD Single : A 57 MET CE :methyl -166:sc= -0.114 (180deg=-0.476) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 64 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= -0.172 (180deg=-1.02) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.515 K(o=0.51,f=-0.85) USER MOD Single : A 77 LYS NZ :NH3+ 177:sc= 0.837 (180deg=0.83) USER MOD Single : A 83 SER OG : rot -51:sc= 0.0588 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 73:sc= 0.342 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 67:sc= 1.17 USER MOD Single : A 96 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.41) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 1.685 -10.646 3.944 1.00 0.00 N ATOM 61 CA LYS A 5 0.244 -10.902 4.066 1.00 0.00 C ATOM 62 C LYS A 5 -0.527 -9.686 4.513 1.00 0.00 C ATOM 63 O LYS A 5 -0.010 -8.802 5.180 1.00 0.00 O ATOM 64 CB LYS A 5 -0.045 -12.111 4.975 1.00 0.00 C ATOM 65 CG LYS A 5 -0.086 -11.972 6.502 1.00 0.00 C ATOM 66 CD LYS A 5 -1.508 -11.937 7.066 1.00 0.00 C ATOM 67 CE LYS A 5 -2.273 -13.261 7.051 1.00 0.00 C ATOM 68 NZ LYS A 5 -3.670 -13.022 7.469 1.00 0.00 N ATOM 0 HA LYS A 5 -0.108 -11.146 3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.009 -12.516 4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.706 -12.867 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.456 -12.805 6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.435 -11.060 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.460 -11.581 8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.083 -11.203 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.250 -13.697 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.798 -13.977 7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.194 -13.921 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.682 -12.624 8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.119 -12.353 6.812 1.00 0.00 H new ATOM 78 N LEU A 6 -1.797 -9.630 4.155 1.00 0.00 N ATOM 79 CA LEU A 6 -2.656 -8.494 4.378 1.00 0.00 C ATOM 80 C LEU A 6 -3.621 -8.851 5.494 1.00 0.00 C ATOM 81 O LEU A 6 -4.146 -9.963 5.515 1.00 0.00 O ATOM 82 CB LEU A 6 -3.429 -8.190 3.097 1.00 0.00 C ATOM 83 CG LEU A 6 -2.553 -7.748 1.917 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.750 -8.870 1.237 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.470 -7.059 0.906 1.00 0.00 C ATOM 0 H LEU A 6 -2.269 -10.403 3.686 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.073 -7.615 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.989 -9.079 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.159 -7.408 3.305 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.788 -7.079 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.165 -8.453 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.080 -9.330 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.435 -9.623 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.883 -6.729 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.236 -7.759 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.945 -6.197 1.374 1.00 0.00 H new ATOM 96 N ASP A 7 -3.842 -7.921 6.417 1.00 0.00 N ATOM 97 CA ASP A 7 -4.708 -8.149 7.568 1.00 0.00 C ATOM 98 C ASP A 7 -6.116 -7.717 7.197 1.00 0.00 C ATOM 99 O ASP A 7 -7.051 -8.512 7.262 1.00 0.00 O ATOM 100 CB ASP A 7 -4.199 -7.338 8.771 1.00 0.00 C ATOM 101 CG ASP A 7 -3.704 -8.235 9.903 1.00 0.00 C ATOM 102 OD1 ASP A 7 -4.394 -9.208 10.274 1.00 0.00 O ATOM 103 OD2 ASP A 7 -2.569 -7.958 10.376 1.00 0.00 O ATOM 0 H ASP A 7 -3.427 -6.990 6.388 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.706 -9.204 7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.390 -6.682 8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.000 -6.698 9.141 1.00 0.00 H new ATOM 107 N ILE A 8 -6.196 -6.458 6.748 1.00 0.00 N ATOM 108 CA ILE A 8 -7.353 -5.720 6.264 1.00 0.00 C ATOM 109 C ILE A 8 -8.402 -5.481 7.359 1.00 0.00 C ATOM 110 O ILE A 8 -8.885 -6.392 8.018 1.00 0.00 O ATOM 111 CB ILE A 8 -7.867 -6.372 4.964 1.00 0.00 C ATOM 112 CG1 ILE A 8 -6.833 -6.118 3.849 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.215 -5.784 4.529 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.070 -6.906 2.556 1.00 0.00 C ATOM 0 H ILE A 8 -5.359 -5.876 6.714 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.062 -4.704 5.997 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.004 -7.438 5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.829 -5.054 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.842 -6.364 4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.544 -6.269 3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.955 -5.951 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.106 -4.713 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.292 -6.661 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.042 -7.974 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.045 -6.644 2.144 1.00 0.00 H new ATOM 125 N VAL A 9 -8.749 -4.210 7.566 1.00 0.00 N ATOM 126 CA VAL A 9 -9.707 -3.732 8.550 1.00 0.00 C ATOM 127 C VAL A 9 -10.505 -2.627 7.884 1.00 0.00 C ATOM 128 O VAL A 9 -10.111 -1.466 7.873 1.00 0.00 O ATOM 129 CB VAL A 9 -9.018 -3.312 9.870 1.00 0.00 C ATOM 130 CG1 VAL A 9 -10.040 -2.842 10.915 1.00 0.00 C ATOM 131 CG2 VAL A 9 -8.206 -4.466 10.478 1.00 0.00 C ATOM 0 H VAL A 9 -8.345 -3.450 7.020 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.389 -4.524 8.860 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.350 -2.490 9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.520 -2.555 11.829 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.590 -1.985 10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.736 -3.652 11.133 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.737 -4.133 11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.868 -5.306 10.689 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.436 -4.780 9.773 1.00 0.00 H new ATOM 141 N GLU A 10 -11.602 -2.996 7.235 1.00 0.00 N ATOM 142 CA GLU A 10 -12.562 -2.005 6.794 1.00 0.00 C ATOM 143 C GLU A 10 -13.077 -1.278 8.029 1.00 0.00 C ATOM 144 O GLU A 10 -13.721 -1.893 8.877 1.00 0.00 O ATOM 145 CB GLU A 10 -13.695 -2.663 6.017 1.00 0.00 C ATOM 146 CG GLU A 10 -13.377 -2.810 4.530 1.00 0.00 C ATOM 147 CD GLU A 10 -14.619 -3.170 3.706 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.740 -3.224 4.280 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.479 -3.306 2.474 1.00 0.00 O ATOM 0 H GLU A 10 -11.843 -3.961 7.007 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.093 -1.291 6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.898 -3.647 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.603 -2.071 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.953 -1.878 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.618 -3.581 4.397 1.00 0.00 H new ATOM 154 N GLN A 11 -12.747 0.009 8.145 1.00 0.00 N ATOM 155 CA GLN A 11 -13.209 0.855 9.219 1.00 0.00 C ATOM 156 C GLN A 11 -14.629 1.328 8.865 1.00 0.00 C ATOM 157 O GLN A 11 -15.452 0.566 8.352 1.00 0.00 O ATOM 158 CB GLN A 11 -12.180 1.978 9.525 1.00 0.00 C ATOM 159 CG GLN A 11 -11.751 1.948 11.000 1.00 0.00 C ATOM 160 CD GLN A 11 -11.216 3.291 11.508 1.00 0.00 C ATOM 161 OE1 GLN A 11 -10.527 4.017 10.800 1.00 0.00 O ATOM 162 NE2 GLN A 11 -11.570 3.670 12.729 1.00 0.00 N ATOM 0 H GLN A 11 -12.141 0.490 7.480 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.281 0.315 10.163 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.305 1.858 8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.616 2.949 9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.602 1.650 11.612 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.982 1.186 11.131 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.144 3.056 13.307 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.269 4.575 13.089 1.00 0.00 H new ATOM 169 N ASP A 12 -14.947 2.573 9.191 1.00 0.00 N ATOM 170 CA ASP A 12 -16.230 3.223 9.005 1.00 0.00 C ATOM 171 C ASP A 12 -16.517 3.330 7.500 1.00 0.00 C ATOM 172 O ASP A 12 -17.417 2.663 6.987 1.00 0.00 O ATOM 173 CB ASP A 12 -16.216 4.595 9.707 1.00 0.00 C ATOM 174 CG ASP A 12 -16.033 4.565 11.231 1.00 0.00 C ATOM 175 OD1 ASP A 12 -15.506 3.583 11.805 1.00 0.00 O ATOM 176 OD2 ASP A 12 -16.246 5.606 11.888 1.00 0.00 O ATOM 0 H ASP A 12 -14.265 3.196 9.623 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.034 2.641 9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.414 5.194 9.276 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.152 5.106 9.483 1.00 0.00 H new ATOM 180 N ASP A 13 -15.719 4.114 6.764 1.00 0.00 N ATOM 181 CA ASP A 13 -15.822 4.331 5.302 1.00 0.00 C ATOM 182 C ASP A 13 -14.436 4.313 4.620 1.00 0.00 C ATOM 183 O ASP A 13 -14.295 4.371 3.392 1.00 0.00 O ATOM 184 CB ASP A 13 -16.539 5.657 4.992 1.00 0.00 C ATOM 185 CG ASP A 13 -17.582 5.532 3.873 1.00 0.00 C ATOM 186 OD1 ASP A 13 -17.510 4.612 3.028 1.00 0.00 O ATOM 187 OD2 ASP A 13 -18.512 6.383 3.870 1.00 0.00 O ATOM 0 H ASP A 13 -14.950 4.639 7.181 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.409 3.506 4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.028 6.019 5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.799 6.405 4.708 1.00 0.00 H new ATOM 191 N LYS A 14 -13.388 4.165 5.429 1.00 0.00 N ATOM 192 CA LYS A 14 -11.990 3.985 5.070 1.00 0.00 C ATOM 193 C LYS A 14 -11.659 2.507 5.191 1.00 0.00 C ATOM 194 O LYS A 14 -12.077 1.857 6.147 1.00 0.00 O ATOM 195 CB LYS A 14 -11.125 4.884 5.974 1.00 0.00 C ATOM 196 CG LYS A 14 -11.319 4.669 7.488 1.00 0.00 C ATOM 197 CD LYS A 14 -11.443 5.982 8.271 1.00 0.00 C ATOM 198 CE LYS A 14 -10.117 6.714 8.422 1.00 0.00 C ATOM 199 NZ LYS A 14 -10.209 7.933 9.257 1.00 0.00 N ATOM 0 H LYS A 14 -13.511 4.169 6.442 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.785 4.284 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.076 4.716 5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.343 5.926 5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.214 4.069 7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.477 4.098 7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.156 6.634 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.850 5.771 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.385 6.037 8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.747 6.987 7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.273 8.383 9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.885 8.597 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.534 7.677 10.211 1.00 0.00 H new ATOM 209 N ALA A 15 -10.984 1.951 4.193 1.00 0.00 N ATOM 210 CA ALA A 15 -10.584 0.570 4.164 1.00 0.00 C ATOM 211 C ALA A 15 -9.144 0.528 4.668 1.00 0.00 C ATOM 212 O ALA A 15 -8.235 0.899 3.916 1.00 0.00 O ATOM 213 CB ALA A 15 -10.723 0.065 2.722 1.00 0.00 C ATOM 0 H ALA A 15 -10.697 2.471 3.364 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.198 -0.074 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.425 -0.982 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.760 0.163 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.083 0.655 2.066 1.00 0.00 H new ATOM 219 N ILE A 16 -8.903 0.148 5.928 1.00 0.00 N ATOM 220 CA ILE A 16 -7.513 0.016 6.344 1.00 0.00 C ATOM 221 C ILE A 16 -7.008 -1.279 5.703 1.00 0.00 C ATOM 222 O ILE A 16 -7.612 -2.343 5.860 1.00 0.00 O ATOM 223 CB ILE A 16 -7.356 0.035 7.877 1.00 0.00 C ATOM 224 CG1 ILE A 16 -7.996 1.287 8.517 1.00 0.00 C ATOM 225 CG2 ILE A 16 -5.863 -0.078 8.231 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.217 1.125 10.023 1.00 0.00 C ATOM 0 H ILE A 16 -9.607 -0.061 6.635 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.916 0.865 6.012 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.892 -0.820 8.290 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.356 2.151 8.337 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.951 1.491 8.032 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.744 -0.065 9.314 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.464 -1.011 7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.321 0.762 7.797 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.669 2.032 10.424 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.880 0.279 10.205 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.260 0.948 10.514 1.00 0.00 H new ATOM 237 N VAL A 17 -5.903 -1.220 4.976 1.00 0.00 N ATOM 238 CA VAL A 17 -5.183 -2.391 4.492 1.00 0.00 C ATOM 239 C VAL A 17 -3.839 -2.437 5.212 1.00 0.00 C ATOM 240 O VAL A 17 -2.856 -1.840 4.780 1.00 0.00 O ATOM 241 CB VAL A 17 -5.067 -2.347 2.956 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.376 -3.612 2.433 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.437 -2.217 2.284 1.00 0.00 C ATOM 0 H VAL A 17 -5.471 -0.338 4.699 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.716 -3.315 4.714 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.473 -1.467 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.303 -3.564 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.376 -3.684 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.957 -4.489 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.310 -2.189 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.058 -3.071 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.919 -1.298 2.616 1.00 0.00 H new ATOM 253 N ARG A 18 -3.793 -3.126 6.352 1.00 0.00 N ATOM 254 CA ARG A 18 -2.515 -3.314 7.038 1.00 0.00 C ATOM 255 C ARG A 18 -1.728 -4.386 6.300 1.00 0.00 C ATOM 256 O ARG A 18 -2.225 -5.512 6.195 1.00 0.00 O ATOM 257 CB ARG A 18 -2.644 -3.580 8.552 1.00 0.00 C ATOM 258 CG ARG A 18 -3.559 -2.530 9.225 1.00 0.00 C ATOM 259 CD ARG A 18 -3.541 -2.522 10.763 1.00 0.00 C ATOM 260 NE ARG A 18 -3.110 -1.215 11.309 1.00 0.00 N ATOM 261 CZ ARG A 18 -3.793 -0.293 12.002 1.00 0.00 C ATOM 262 NH1 ARG A 18 -5.064 -0.451 12.368 1.00 0.00 N ATOM 263 NH2 ARG A 18 -3.185 0.835 12.342 1.00 0.00 N ATOM 0 H ARG A 18 -4.599 -3.552 6.809 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.963 -2.375 7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.049 -4.579 8.716 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.657 -3.557 9.014 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.269 -1.541 8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.583 -2.700 8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.536 -2.760 11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.870 -3.303 11.121 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.135 -0.978 11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.563 -1.305 12.121 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.538 0.282 12.895 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.213 0.990 12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.690 1.547 12.869 1.00 0.00 H new ATOM 274 N VAL A 19 -0.563 -4.054 5.742 1.00 0.00 N ATOM 275 CA VAL A 19 0.265 -5.005 5.017 1.00 0.00 C ATOM 276 C VAL A 19 1.320 -5.535 5.973 1.00 0.00 C ATOM 277 O VAL A 19 1.853 -4.776 6.777 1.00 0.00 O ATOM 278 CB VAL A 19 0.868 -4.280 3.802 1.00 0.00 C ATOM 279 CG1 VAL A 19 2.139 -4.924 3.218 1.00 0.00 C ATOM 280 CG2 VAL A 19 -0.182 -4.282 2.690 1.00 0.00 C ATOM 0 H VAL A 19 -0.170 -3.114 5.783 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.303 -5.858 4.646 1.00 0.00 H new ATOM 0 HB VAL A 19 1.150 -3.288 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.485 -4.338 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.917 -4.950 3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.916 -5.940 2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.217 -3.774 1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.435 -5.310 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.077 -3.764 3.034 1.00 0.00 H new ATOM 290 N GLN A 20 1.645 -6.819 5.873 1.00 0.00 N ATOM 291 CA GLN A 20 2.741 -7.440 6.589 1.00 0.00 C ATOM 292 C GLN A 20 3.785 -7.941 5.608 1.00 0.00 C ATOM 293 O GLN A 20 3.414 -8.357 4.516 1.00 0.00 O ATOM 294 CB GLN A 20 2.262 -8.608 7.457 1.00 0.00 C ATOM 295 CG GLN A 20 1.313 -8.074 8.544 1.00 0.00 C ATOM 296 CD GLN A 20 1.087 -9.072 9.689 1.00 0.00 C ATOM 297 OE1 GLN A 20 1.917 -9.946 9.956 1.00 0.00 O ATOM 298 NE2 GLN A 20 -0.010 -8.998 10.423 1.00 0.00 N ATOM 0 H GLN A 20 1.137 -7.470 5.274 1.00 0.00 H new ATOM 0 HA GLN A 20 3.175 -6.684 7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.750 -9.348 6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.114 -9.109 7.916 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.721 -7.149 8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.353 -7.827 8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.711 -8.285 10.222 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.156 -9.654 11.190 1.00 0.00 H new ATOM 305 N GLY A 21 5.041 -8.002 6.052 1.00 0.00 N ATOM 306 CA GLY A 21 6.186 -8.514 5.307 1.00 0.00 C ATOM 307 C GLY A 21 6.806 -7.472 4.381 1.00 0.00 C ATOM 308 O GLY A 21 6.191 -6.465 4.058 1.00 0.00 O ATOM 0 H GLY A 21 5.297 -7.680 6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.942 -8.865 6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.874 -9.376 4.718 1.00 0.00 H new ATOM 312 N ASP A 22 8.058 -7.701 3.999 1.00 0.00 N ATOM 313 CA ASP A 22 8.871 -6.846 3.152 1.00 0.00 C ATOM 314 C ASP A 22 8.295 -6.918 1.740 1.00 0.00 C ATOM 315 O ASP A 22 7.637 -7.898 1.366 1.00 0.00 O ATOM 316 CB ASP A 22 10.328 -7.325 3.181 1.00 0.00 C ATOM 317 CG ASP A 22 10.919 -7.308 4.589 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.763 -6.299 5.323 1.00 0.00 O ATOM 319 OD2 ASP A 22 11.474 -8.349 5.006 1.00 0.00 O ATOM 0 H ASP A 22 8.559 -8.540 4.292 1.00 0.00 H new ATOM 0 HA ASP A 22 8.857 -5.814 3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.383 -8.337 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.929 -6.690 2.530 1.00 0.00 H new ATOM 323 N ILE A 23 8.534 -5.888 0.939 1.00 0.00 N ATOM 324 CA ILE A 23 7.746 -5.612 -0.256 1.00 0.00 C ATOM 325 C ILE A 23 8.620 -5.904 -1.490 1.00 0.00 C ATOM 326 O ILE A 23 8.909 -5.046 -2.332 1.00 0.00 O ATOM 327 CB ILE A 23 7.105 -4.212 -0.091 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.229 -3.804 -1.281 1.00 0.00 C ATOM 329 CG2 ILE A 23 8.134 -3.117 0.141 1.00 0.00 C ATOM 330 CD1 ILE A 23 4.761 -4.031 -0.963 1.00 0.00 C ATOM 0 H ILE A 23 9.284 -5.216 1.101 1.00 0.00 H new ATOM 0 HA ILE A 23 6.886 -6.263 -0.411 1.00 0.00 H new ATOM 0 HB ILE A 23 6.476 -4.312 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.397 -2.754 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.510 -4.381 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.627 -2.158 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.698 -3.334 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.816 -3.073 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.154 -3.736 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.595 -5.086 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.480 -3.434 -0.096 1.00 0.00 H new ATOM 341 N ASP A 24 9.067 -7.156 -1.589 1.00 0.00 N ATOM 342 CA ASP A 24 10.049 -7.630 -2.571 1.00 0.00 C ATOM 343 C ASP A 24 9.336 -8.344 -3.721 1.00 0.00 C ATOM 344 O ASP A 24 8.115 -8.357 -3.760 1.00 0.00 O ATOM 345 CB ASP A 24 11.153 -8.488 -1.946 1.00 0.00 C ATOM 346 CG ASP A 24 10.868 -9.014 -0.550 1.00 0.00 C ATOM 347 OD1 ASP A 24 10.026 -9.927 -0.407 1.00 0.00 O ATOM 348 OD2 ASP A 24 11.486 -8.456 0.380 1.00 0.00 O ATOM 0 H ASP A 24 8.745 -7.897 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 24 10.563 -6.757 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.343 -9.337 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.070 -7.900 -1.912 1.00 0.00 H new ATOM 352 N ALA A 25 10.032 -8.950 -4.686 1.00 0.00 N ATOM 353 CA ALA A 25 9.407 -9.680 -5.793 1.00 0.00 C ATOM 354 C ALA A 25 8.392 -10.747 -5.343 1.00 0.00 C ATOM 355 O ALA A 25 7.514 -11.130 -6.115 1.00 0.00 O ATOM 356 CB ALA A 25 10.484 -10.316 -6.657 1.00 0.00 C ATOM 0 H ALA A 25 11.051 -8.948 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 25 8.839 -8.947 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.018 -10.858 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.135 -9.539 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.073 -11.007 -6.054 1.00 0.00 H new ATOM 362 N TYR A 26 8.460 -11.188 -4.091 1.00 0.00 N ATOM 363 CA TYR A 26 7.469 -12.034 -3.453 1.00 0.00 C ATOM 364 C TYR A 26 6.097 -11.335 -3.369 1.00 0.00 C ATOM 365 O TYR A 26 5.070 -11.981 -3.590 1.00 0.00 O ATOM 366 CB TYR A 26 7.993 -12.420 -2.066 1.00 0.00 C ATOM 367 CG TYR A 26 9.277 -13.240 -2.073 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.528 -12.624 -2.262 1.00 0.00 C ATOM 369 CD2 TYR A 26 9.220 -14.636 -1.902 1.00 0.00 C ATOM 370 CE1 TYR A 26 11.700 -13.397 -2.328 1.00 0.00 C ATOM 371 CE2 TYR A 26 10.388 -15.414 -1.914 1.00 0.00 C ATOM 372 CZ TYR A 26 11.635 -14.794 -2.143 1.00 0.00 C ATOM 373 OH TYR A 26 12.772 -15.536 -2.199 1.00 0.00 O ATOM 0 H TYR A 26 9.238 -10.955 -3.474 1.00 0.00 H new ATOM 0 HA TYR A 26 7.314 -12.933 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.163 -11.510 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.220 -12.986 -1.546 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.588 -11.550 -2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.263 -15.116 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.650 -12.921 -2.520 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.333 -16.480 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 26 12.554 -16.480 -2.050 1.00 0.00 H new ATOM 382 N ASN A 27 6.044 -10.014 -3.123 1.00 0.00 N ATOM 383 CA ASN A 27 4.792 -9.254 -3.122 1.00 0.00 C ATOM 384 C ASN A 27 4.428 -8.867 -4.538 1.00 0.00 C ATOM 385 O ASN A 27 3.281 -8.487 -4.775 1.00 0.00 O ATOM 386 CB ASN A 27 4.838 -7.942 -2.316 1.00 0.00 C ATOM 387 CG ASN A 27 5.096 -6.659 -3.127 1.00 0.00 C ATOM 388 OD1 ASN A 27 4.191 -5.866 -3.331 1.00 0.00 O ATOM 389 ND2 ASN A 27 6.274 -6.420 -3.654 1.00 0.00 N ATOM 0 H ASN A 27 6.869 -9.449 -2.920 1.00 0.00 H new ATOM 0 HA ASN A 27 4.065 -9.918 -2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.891 -7.830 -1.788 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.616 -8.032 -1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.419 -5.585 -4.221 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.045 -7.069 -3.496 1.00 0.00 H new ATOM 395 N SER A 28 5.395 -8.920 -5.461 1.00 0.00 N ATOM 396 CA SER A 28 5.181 -8.402 -6.797 1.00 0.00 C ATOM 397 C SER A 28 4.035 -9.118 -7.541 1.00 0.00 C ATOM 398 O SER A 28 3.571 -8.606 -8.567 1.00 0.00 O ATOM 399 CB SER A 28 6.505 -8.381 -7.568 1.00 0.00 C ATOM 400 OG SER A 28 6.420 -7.648 -8.770 1.00 0.00 O ATOM 0 H SER A 28 6.322 -9.314 -5.300 1.00 0.00 H new ATOM 0 HA SER A 28 4.838 -7.371 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.282 -7.949 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.808 -9.404 -7.791 1.00 0.00 H new ATOM 0 HG SER A 28 5.518 -7.736 -9.144 1.00 0.00 H new ATOM 405 N SER A 29 3.507 -10.236 -7.023 1.00 0.00 N ATOM 406 CA SER A 29 2.148 -10.657 -7.327 1.00 0.00 C ATOM 407 C SER A 29 1.279 -10.770 -6.090 1.00 0.00 C ATOM 408 O SER A 29 0.079 -10.587 -6.257 1.00 0.00 O ATOM 409 CB SER A 29 2.117 -11.886 -8.236 1.00 0.00 C ATOM 410 OG SER A 29 3.124 -12.833 -7.936 1.00 0.00 O ATOM 0 H SER A 29 4.008 -10.861 -6.391 1.00 0.00 H new ATOM 0 HA SER A 29 1.687 -9.860 -7.910 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.142 -12.365 -8.153 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.227 -11.565 -9.272 1.00 0.00 H new ATOM 0 HG SER A 29 3.050 -13.594 -8.549 1.00 0.00 H new ATOM 415 N GLU A 30 1.821 -10.962 -4.881 1.00 0.00 N ATOM 416 CA GLU A 30 0.978 -11.108 -3.711 1.00 0.00 C ATOM 417 C GLU A 30 0.240 -9.797 -3.435 1.00 0.00 C ATOM 418 O GLU A 30 -0.966 -9.732 -3.621 1.00 0.00 O ATOM 419 CB GLU A 30 1.806 -11.555 -2.492 1.00 0.00 C ATOM 420 CG GLU A 30 0.940 -12.291 -1.475 1.00 0.00 C ATOM 421 CD GLU A 30 0.802 -13.792 -1.722 1.00 0.00 C ATOM 422 OE1 GLU A 30 1.814 -14.498 -1.954 1.00 0.00 O ATOM 423 OE2 GLU A 30 -0.336 -14.294 -1.595 1.00 0.00 O ATOM 0 H GLU A 30 2.823 -11.018 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 30 0.237 -11.884 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.618 -12.204 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.264 -10.685 -2.021 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.360 -12.137 -0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.054 -11.844 -1.473 1.00 0.00 H new ATOM 428 N LEU A 31 0.903 -8.715 -3.022 1.00 0.00 N ATOM 429 CA LEU A 31 0.184 -7.496 -2.697 1.00 0.00 C ATOM 430 C LEU A 31 -0.643 -7.006 -3.885 1.00 0.00 C ATOM 431 O LEU A 31 -1.761 -6.532 -3.711 1.00 0.00 O ATOM 432 CB LEU A 31 1.168 -6.422 -2.227 1.00 0.00 C ATOM 433 CG LEU A 31 0.455 -5.163 -1.721 1.00 0.00 C ATOM 434 CD1 LEU A 31 -0.462 -5.489 -0.547 1.00 0.00 C ATOM 435 CD2 LEU A 31 1.463 -4.113 -1.277 1.00 0.00 C ATOM 0 H LEU A 31 1.915 -8.663 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.513 -7.710 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.793 -6.828 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.832 -6.155 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.139 -4.773 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.956 -4.579 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.213 -6.213 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.127 -5.909 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.934 -3.228 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.078 -4.516 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.100 -3.841 -2.119 1.00 0.00 H new ATOM 446 N LYS A 32 -0.132 -7.178 -5.103 1.00 0.00 N ATOM 447 CA LYS A 32 -0.835 -6.830 -6.314 1.00 0.00 C ATOM 448 C LYS A 32 -2.149 -7.617 -6.430 1.00 0.00 C ATOM 449 O LYS A 32 -3.175 -7.010 -6.727 1.00 0.00 O ATOM 450 CB LYS A 32 0.155 -7.119 -7.453 1.00 0.00 C ATOM 451 CG LYS A 32 -0.157 -6.279 -8.689 1.00 0.00 C ATOM 452 CD LYS A 32 1.081 -6.231 -9.591 1.00 0.00 C ATOM 453 CE LYS A 32 0.652 -6.277 -11.044 1.00 0.00 C ATOM 454 NZ LYS A 32 1.788 -6.319 -11.987 1.00 0.00 N ATOM 0 H LYS A 32 0.796 -7.569 -5.267 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.142 -5.784 -6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.170 -6.910 -7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.116 -8.177 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.000 -6.707 -9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.446 -5.270 -8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.650 -5.321 -9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.739 -7.071 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.024 -7.154 -11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.039 -5.402 -11.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.429 -6.349 -12.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.376 -5.470 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.361 -7.167 -11.803 1.00 0.00 H new ATOM 464 N GLU A 33 -2.149 -8.948 -6.259 1.00 0.00 N ATOM 465 CA GLU A 33 -3.351 -9.791 -6.323 1.00 0.00 C ATOM 466 C GLU A 33 -4.286 -9.419 -5.170 1.00 0.00 C ATOM 467 O GLU A 33 -5.481 -9.222 -5.365 1.00 0.00 O ATOM 468 CB GLU A 33 -3.024 -11.313 -6.394 1.00 0.00 C ATOM 469 CG GLU A 33 -2.817 -12.004 -5.045 1.00 0.00 C ATOM 470 CD GLU A 33 -2.635 -13.522 -5.055 1.00 0.00 C ATOM 471 OE1 GLU A 33 -1.863 -14.053 -5.882 1.00 0.00 O ATOM 472 OE2 GLU A 33 -3.258 -14.181 -4.181 1.00 0.00 O ATOM 0 H GLU A 33 -1.298 -9.477 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.871 -9.592 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.834 -11.817 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.123 -11.446 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.940 -11.562 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.673 -11.771 -4.412 1.00 0.00 H new ATOM 477 N GLN A 34 -3.734 -9.285 -3.965 1.00 0.00 N ATOM 478 CA GLN A 34 -4.485 -9.152 -2.728 1.00 0.00 C ATOM 479 C GLN A 34 -5.096 -7.751 -2.601 1.00 0.00 C ATOM 480 O GLN A 34 -5.843 -7.519 -1.654 1.00 0.00 O ATOM 481 CB GLN A 34 -3.565 -9.427 -1.526 1.00 0.00 C ATOM 482 CG GLN A 34 -2.797 -10.762 -1.498 1.00 0.00 C ATOM 483 CD GLN A 34 -3.484 -11.953 -0.840 1.00 0.00 C ATOM 484 OE1 GLN A 34 -4.552 -11.854 -0.255 1.00 0.00 O ATOM 485 NE2 GLN A 34 -2.877 -13.130 -0.897 1.00 0.00 N ATOM 0 H GLN A 34 -2.724 -9.266 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.296 -9.880 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.835 -8.620 -1.472 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.170 -9.370 -0.621 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.560 -11.036 -2.526 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.849 -10.595 -0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.985 -13.221 -1.384 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.302 -13.945 -0.454 1.00 0.00 H new ATOM 492 N LEU A 35 -4.792 -6.826 -3.524 1.00 0.00 N ATOM 493 CA LEU A 35 -5.320 -5.470 -3.540 1.00 0.00 C ATOM 494 C LEU A 35 -6.219 -5.283 -4.722 1.00 0.00 C ATOM 495 O LEU A 35 -7.245 -4.678 -4.516 1.00 0.00 O ATOM 496 CB LEU A 35 -4.258 -4.412 -3.736 1.00 0.00 C ATOM 497 CG LEU A 35 -3.386 -4.112 -2.515 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.277 -3.138 -2.900 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.198 -3.477 -1.384 1.00 0.00 C ATOM 0 H LEU A 35 -4.154 -7.014 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.814 -5.356 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.609 -4.722 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.745 -3.488 -4.047 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.973 -5.060 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.659 -2.927 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.661 -3.579 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.718 -2.210 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.545 -3.278 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.636 -2.541 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.992 -4.158 -1.080 1.00 0.00 H new ATOM 510 N ARG A 36 -5.866 -5.697 -5.944 1.00 0.00 N ATOM 511 CA ARG A 36 -6.796 -5.592 -7.060 1.00 0.00 C ATOM 512 C ARG A 36 -8.090 -6.334 -6.720 1.00 0.00 C ATOM 513 O ARG A 36 -9.179 -5.796 -6.910 1.00 0.00 O ATOM 514 CB ARG A 36 -6.121 -6.071 -8.358 1.00 0.00 C ATOM 515 CG ARG A 36 -5.876 -7.583 -8.447 1.00 0.00 C ATOM 516 CD ARG A 36 -5.107 -8.000 -9.711 1.00 0.00 C ATOM 517 NE ARG A 36 -3.682 -8.207 -9.406 1.00 0.00 N ATOM 518 CZ ARG A 36 -2.899 -9.145 -9.961 1.00 0.00 C ATOM 519 NH1 ARG A 36 -3.139 -9.634 -11.171 1.00 0.00 N ATOM 520 NH2 ARG A 36 -1.865 -9.625 -9.277 1.00 0.00 N ATOM 0 H ARG A 36 -4.959 -6.100 -6.177 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.073 -4.552 -7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.739 -5.769 -9.203 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.165 -5.557 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.319 -7.906 -7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.835 -8.101 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.534 -8.917 -10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.213 -7.232 -10.477 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.255 -7.588 -8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.938 -9.297 -11.708 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.524 -10.347 -11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.671 -9.280 -8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.266 -10.338 -9.692 1.00 0.00 H new ATOM 531 N ASN A 37 -7.954 -7.514 -6.103 1.00 0.00 N ATOM 532 CA ASN A 37 -9.063 -8.382 -5.772 1.00 0.00 C ATOM 533 C ASN A 37 -9.890 -7.714 -4.680 1.00 0.00 C ATOM 534 O ASN A 37 -11.119 -7.660 -4.764 1.00 0.00 O ATOM 535 CB ASN A 37 -8.523 -9.749 -5.328 1.00 0.00 C ATOM 536 CG ASN A 37 -9.649 -10.653 -4.859 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.473 -11.088 -5.662 1.00 0.00 O ATOM 538 ND2 ASN A 37 -9.705 -10.915 -3.569 1.00 0.00 N ATOM 0 H ASN A 37 -7.049 -7.888 -5.820 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.704 -8.547 -6.638 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.994 -10.221 -6.156 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.801 -9.615 -4.523 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.454 -11.501 -3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.999 -10.532 -2.940 1.00 0.00 H new ATOM 544 N PHE A 38 -9.194 -7.143 -3.695 1.00 0.00 N ATOM 545 CA PHE A 38 -9.771 -6.405 -2.595 1.00 0.00 C ATOM 546 C PHE A 38 -10.452 -5.142 -3.094 1.00 0.00 C ATOM 547 O PHE A 38 -11.533 -4.830 -2.622 1.00 0.00 O ATOM 548 CB PHE A 38 -8.687 -6.076 -1.564 1.00 0.00 C ATOM 549 CG PHE A 38 -8.898 -4.816 -0.741 1.00 0.00 C ATOM 550 CD1 PHE A 38 -8.430 -3.595 -1.262 1.00 0.00 C ATOM 551 CD2 PHE A 38 -9.567 -4.834 0.503 1.00 0.00 C ATOM 552 CE1 PHE A 38 -8.637 -2.404 -0.557 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.726 -3.638 1.234 1.00 0.00 C ATOM 554 CZ PHE A 38 -9.247 -2.436 0.699 1.00 0.00 C ATOM 0 H PHE A 38 -8.176 -7.190 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.530 -7.022 -2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.598 -6.920 -0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.734 -5.988 -2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.910 -3.577 -2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.956 -5.762 0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -8.326 -1.462 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.213 -3.649 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.351 -1.522 1.265 1.00 0.00 H new ATOM 563 N ILE A 39 -9.851 -4.388 -4.015 1.00 0.00 N ATOM 564 CA ILE A 39 -10.430 -3.157 -4.560 1.00 0.00 C ATOM 565 C ILE A 39 -11.822 -3.393 -5.151 1.00 0.00 C ATOM 566 O ILE A 39 -12.683 -2.513 -5.069 1.00 0.00 O ATOM 567 CB ILE A 39 -9.426 -2.578 -5.577 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.590 -1.490 -4.871 1.00 0.00 C ATOM 569 CG2 ILE A 39 -10.022 -2.069 -6.898 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.208 -1.302 -5.500 1.00 0.00 C ATOM 0 H ILE A 39 -8.938 -4.616 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.591 -2.428 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.800 -3.410 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.131 -0.544 -4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.473 -1.753 -3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.224 -1.685 -7.533 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.530 -2.888 -7.408 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.736 -1.272 -6.692 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.666 -0.524 -4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.652 -2.238 -5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.320 -1.010 -6.544 1.00 0.00 H new ATOM 581 N SER A 40 -12.044 -4.566 -5.735 1.00 0.00 N ATOM 582 CA SER A 40 -13.352 -5.018 -6.156 1.00 0.00 C ATOM 583 C SER A 40 -14.258 -5.230 -4.935 1.00 0.00 C ATOM 584 O SER A 40 -15.338 -4.642 -4.862 1.00 0.00 O ATOM 585 CB SER A 40 -13.150 -6.282 -6.989 1.00 0.00 C ATOM 586 OG SER A 40 -13.292 -5.993 -8.359 1.00 0.00 O ATOM 0 H SER A 40 -11.301 -5.237 -5.930 1.00 0.00 H new ATOM 0 HA SER A 40 -13.860 -4.275 -6.771 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.160 -6.697 -6.799 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.875 -7.040 -6.693 1.00 0.00 H new ATOM 0 HG SER A 40 -13.158 -6.811 -8.881 1.00 0.00 H new ATOM 591 N THR A 41 -13.837 -6.023 -3.949 1.00 0.00 N ATOM 592 CA THR A 41 -14.587 -6.284 -2.734 1.00 0.00 C ATOM 593 C THR A 41 -14.884 -5.028 -1.907 1.00 0.00 C ATOM 594 O THR A 41 -15.927 -4.991 -1.239 1.00 0.00 O ATOM 595 CB THR A 41 -13.781 -7.311 -1.936 1.00 0.00 C ATOM 596 OG1 THR A 41 -13.760 -8.528 -2.645 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.291 -7.558 -0.517 1.00 0.00 C ATOM 0 H THR A 41 -12.942 -6.511 -3.980 1.00 0.00 H new ATOM 0 HA THR A 41 -15.574 -6.665 -2.994 1.00 0.00 H new ATOM 0 HB THR A 41 -12.781 -6.892 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.244 -9.191 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.660 -8.299 -0.027 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.261 -6.626 0.048 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.317 -7.925 -0.558 1.00 0.00 H new ATOM 605 N THR A 42 -13.984 -4.041 -1.882 1.00 0.00 N ATOM 606 CA THR A 42 -13.945 -3.069 -0.805 1.00 0.00 C ATOM 607 C THR A 42 -15.204 -2.192 -0.821 1.00 0.00 C ATOM 608 O THR A 42 -15.524 -1.489 -1.789 1.00 0.00 O ATOM 609 CB THR A 42 -12.587 -2.341 -0.767 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.377 -1.736 0.492 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.403 -1.284 -1.846 1.00 0.00 C ATOM 0 H THR A 42 -13.274 -3.901 -2.601 1.00 0.00 H new ATOM 0 HA THR A 42 -13.990 -3.567 0.164 1.00 0.00 H new ATOM 0 HB THR A 42 -11.852 -3.123 -0.956 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.476 -1.952 0.812 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.420 -0.825 -1.742 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.484 -1.749 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.173 -0.520 -1.742 1.00 0.00 H new ATOM 619 N SER A 43 -15.966 -2.296 0.264 1.00 0.00 N ATOM 620 CA SER A 43 -17.143 -1.503 0.574 1.00 0.00 C ATOM 621 C SER A 43 -16.757 -0.043 0.834 1.00 0.00 C ATOM 622 O SER A 43 -17.534 0.885 0.602 1.00 0.00 O ATOM 623 CB SER A 43 -17.760 -2.128 1.830 1.00 0.00 C ATOM 624 OG SER A 43 -18.937 -2.840 1.530 1.00 0.00 O ATOM 0 H SER A 43 -15.762 -2.980 0.993 1.00 0.00 H new ATOM 0 HA SER A 43 -17.849 -1.502 -0.256 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.038 -2.798 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.982 -1.345 2.555 1.00 0.00 H new ATOM 0 HG SER A 43 -19.304 -3.227 2.352 1.00 0.00 H new ATOM 629 N LYS A 44 -15.551 0.172 1.346 1.00 0.00 N ATOM 630 CA LYS A 44 -15.018 1.458 1.776 1.00 0.00 C ATOM 631 C LYS A 44 -14.306 2.106 0.585 1.00 0.00 C ATOM 632 O LYS A 44 -14.175 1.489 -0.475 1.00 0.00 O ATOM 633 CB LYS A 44 -14.117 1.158 2.989 1.00 0.00 C ATOM 634 CG LYS A 44 -14.806 0.919 4.352 1.00 0.00 C ATOM 635 CD LYS A 44 -16.099 0.105 4.301 1.00 0.00 C ATOM 636 CE LYS A 44 -16.595 -0.283 5.693 1.00 0.00 C ATOM 637 NZ LYS A 44 -17.428 -1.497 5.613 1.00 0.00 N ATOM 0 H LYS A 44 -14.883 -0.587 1.479 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.772 2.179 2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.521 0.276 2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.422 1.990 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.102 0.410 5.011 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.024 1.887 4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.870 0.683 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.935 -0.797 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.746 -0.458 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.172 0.536 6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.691 -1.802 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.289 -1.292 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.893 -2.255 5.143 1.00 0.00 H new ATOM 647 N LYS A 45 -13.875 3.360 0.728 1.00 0.00 N ATOM 648 CA LYS A 45 -13.280 4.133 -0.368 1.00 0.00 C ATOM 649 C LYS A 45 -11.845 4.544 -0.103 1.00 0.00 C ATOM 650 O LYS A 45 -11.068 4.648 -1.053 1.00 0.00 O ATOM 651 CB LYS A 45 -14.171 5.349 -0.677 1.00 0.00 C ATOM 652 CG LYS A 45 -15.286 4.955 -1.658 1.00 0.00 C ATOM 653 CD LYS A 45 -15.028 5.510 -3.061 1.00 0.00 C ATOM 654 CE LYS A 45 -16.016 4.951 -4.089 1.00 0.00 C ATOM 655 NZ LYS A 45 -17.404 5.423 -3.907 1.00 0.00 N ATOM 0 H LYS A 45 -13.928 3.871 1.609 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.234 3.484 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.607 5.733 0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.569 6.151 -1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.362 3.869 -1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.242 5.326 -1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.103 6.597 -3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.010 5.266 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.678 5.225 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.003 3.862 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.012 5.003 -4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.747 5.140 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.432 6.460 -3.987 1.00 0.00 H new ATOM 665 N LYS A 46 -11.479 4.788 1.153 1.00 0.00 N ATOM 666 CA LYS A 46 -10.153 5.304 1.491 1.00 0.00 C ATOM 667 C LYS A 46 -9.208 4.160 1.756 1.00 0.00 C ATOM 668 O LYS A 46 -9.323 3.565 2.813 1.00 0.00 O ATOM 669 CB LYS A 46 -10.264 6.344 2.613 1.00 0.00 C ATOM 670 CG LYS A 46 -8.993 7.201 2.733 1.00 0.00 C ATOM 671 CD LYS A 46 -9.251 8.554 3.398 1.00 0.00 C ATOM 672 CE LYS A 46 -9.889 8.427 4.785 1.00 0.00 C ATOM 673 NZ LYS A 46 -11.017 9.362 4.943 1.00 0.00 N ATOM 0 H LYS A 46 -12.086 4.636 1.959 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.715 5.843 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.121 6.991 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.450 5.837 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.245 6.655 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.575 7.363 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.309 9.095 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.902 9.149 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.237 7.405 4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.140 8.625 5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.428 9.253 5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.678 10.338 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.741 9.156 4.226 1.00 0.00 H new ATOM 683 N ILE A 47 -8.361 3.773 0.798 1.00 0.00 N ATOM 684 CA ILE A 47 -7.541 2.587 0.940 1.00 0.00 C ATOM 685 C ILE A 47 -6.229 3.029 1.591 1.00 0.00 C ATOM 686 O ILE A 47 -5.434 3.757 0.990 1.00 0.00 O ATOM 687 CB ILE A 47 -7.374 1.889 -0.420 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.677 1.780 -1.260 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.751 0.514 -0.168 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.915 1.206 -0.563 1.00 0.00 C ATOM 0 H ILE A 47 -8.232 4.271 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.001 1.835 1.581 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.722 2.510 -1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.927 2.776 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.465 1.163 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.620 -0.006 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.782 0.637 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.407 -0.070 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.750 1.187 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.704 0.192 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.173 1.830 0.293 1.00 0.00 H new ATOM 701 N VAL A 48 -6.050 2.637 2.845 1.00 0.00 N ATOM 702 CA VAL A 48 -5.002 3.112 3.740 1.00 0.00 C ATOM 703 C VAL A 48 -4.020 1.977 3.991 1.00 0.00 C ATOM 704 O VAL A 48 -4.334 1.040 4.720 1.00 0.00 O ATOM 705 CB VAL A 48 -5.660 3.657 5.023 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.630 4.230 5.984 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.704 4.724 4.699 1.00 0.00 C ATOM 0 H VAL A 48 -6.659 1.948 3.287 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.431 3.931 3.303 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.152 2.813 5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.133 4.604 6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.923 3.450 6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.095 5.047 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.150 5.089 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.227 5.552 4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.480 4.293 4.067 1.00 0.00 H new ATOM 717 N LEU A 49 -2.867 2.020 3.326 1.00 0.00 N ATOM 718 CA LEU A 49 -1.869 0.958 3.329 1.00 0.00 C ATOM 719 C LEU A 49 -0.880 1.144 4.462 1.00 0.00 C ATOM 720 O LEU A 49 -0.166 2.127 4.461 1.00 0.00 O ATOM 721 CB LEU A 49 -1.139 0.925 1.980 1.00 0.00 C ATOM 722 CG LEU A 49 -1.619 -0.109 0.955 1.00 0.00 C ATOM 723 CD1 LEU A 49 -1.535 -1.527 1.518 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.019 0.222 0.444 1.00 0.00 C ATOM 0 H LEU A 49 -2.596 2.820 2.754 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.378 0.006 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.219 1.913 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.081 0.747 2.171 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.948 -0.064 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.882 -2.237 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.502 -1.753 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.161 -1.603 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.329 -0.531 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.719 0.231 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.010 1.202 -0.032 1.00 0.00 H new ATOM 735 N ASP A 50 -0.858 0.285 5.472 1.00 0.00 N ATOM 736 CA ASP A 50 -0.016 0.362 6.681 1.00 0.00 C ATOM 737 C ASP A 50 1.266 -0.424 6.481 1.00 0.00 C ATOM 738 O ASP A 50 1.184 -1.562 6.007 1.00 0.00 O ATOM 739 CB ASP A 50 -0.742 -0.329 7.839 1.00 0.00 C ATOM 740 CG ASP A 50 -0.299 0.103 9.228 1.00 0.00 C ATOM 741 OD1 ASP A 50 0.257 1.204 9.382 1.00 0.00 O ATOM 742 OD2 ASP A 50 -0.642 -0.609 10.198 1.00 0.00 O ATOM 0 H ASP A 50 -1.460 -0.538 5.480 1.00 0.00 H new ATOM 0 HA ASP A 50 0.190 1.413 6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.811 -0.141 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.598 -1.405 7.747 1.00 0.00 H new ATOM 746 N LEU A 51 2.417 0.149 6.832 1.00 0.00 N ATOM 747 CA LEU A 51 3.716 -0.424 6.569 1.00 0.00 C ATOM 748 C LEU A 51 4.595 -0.613 7.808 1.00 0.00 C ATOM 749 O LEU A 51 5.809 -0.783 7.678 1.00 0.00 O ATOM 750 CB LEU A 51 4.389 0.433 5.508 1.00 0.00 C ATOM 751 CG LEU A 51 3.817 0.358 4.087 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.632 -1.056 3.516 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.550 1.149 3.826 1.00 0.00 C ATOM 0 H LEU A 51 2.462 1.045 7.318 1.00 0.00 H new ATOM 0 HA LEU A 51 3.573 -1.444 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.348 1.472 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.442 0.154 5.465 1.00 0.00 H new ATOM 0 HG LEU A 51 4.631 0.847 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.222 -0.991 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.596 -1.564 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.946 -1.618 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.245 1.016 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.758 0.795 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.735 2.206 4.017 1.00 0.00 H new ATOM 764 N SER A 52 4.023 -0.651 9.010 1.00 0.00 N ATOM 765 CA SER A 52 4.788 -0.869 10.238 1.00 0.00 C ATOM 766 C SER A 52 5.566 -2.201 10.224 1.00 0.00 C ATOM 767 O SER A 52 6.642 -2.317 10.827 1.00 0.00 O ATOM 768 CB SER A 52 3.861 -0.782 11.460 1.00 0.00 C ATOM 769 OG SER A 52 2.760 -1.669 11.357 1.00 0.00 O ATOM 0 H SER A 52 3.021 -0.532 9.161 1.00 0.00 H new ATOM 0 HA SER A 52 5.536 -0.078 10.302 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.428 -1.012 12.362 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.495 0.239 11.565 1.00 0.00 H new ATOM 0 HG SER A 52 2.196 -1.584 12.154 1.00 0.00 H new ATOM 774 N SER A 53 5.073 -3.195 9.477 1.00 0.00 N ATOM 775 CA SER A 53 5.749 -4.465 9.266 1.00 0.00 C ATOM 776 C SER A 53 6.993 -4.303 8.385 1.00 0.00 C ATOM 777 O SER A 53 7.989 -4.985 8.610 1.00 0.00 O ATOM 778 CB SER A 53 4.784 -5.460 8.612 1.00 0.00 C ATOM 779 OG SER A 53 4.620 -6.646 9.365 1.00 0.00 O ATOM 0 H SER A 53 4.176 -3.131 8.996 1.00 0.00 H new ATOM 0 HA SER A 53 6.070 -4.839 10.238 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.813 -4.983 8.480 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.152 -5.715 7.618 1.00 0.00 H new ATOM 0 HG SER A 53 3.719 -6.667 9.750 1.00 0.00 H new ATOM 784 N VAL A 54 6.954 -3.428 7.389 1.00 0.00 N ATOM 785 CA VAL A 54 7.667 -3.578 6.135 1.00 0.00 C ATOM 786 C VAL A 54 9.014 -2.873 6.270 1.00 0.00 C ATOM 787 O VAL A 54 9.109 -1.647 6.169 1.00 0.00 O ATOM 788 CB VAL A 54 6.754 -3.034 5.015 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.360 -3.216 3.619 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.360 -3.691 5.082 1.00 0.00 C ATOM 0 H VAL A 54 6.407 -2.568 7.437 1.00 0.00 H new ATOM 0 HA VAL A 54 7.893 -4.613 5.878 1.00 0.00 H new ATOM 0 HB VAL A 54 6.655 -1.962 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.676 -2.816 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.310 -2.685 3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.525 -4.277 3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.732 -3.294 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.460 -4.770 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.902 -3.474 6.047 1.00 0.00 H new ATOM 800 N SER A 55 10.050 -3.645 6.579 1.00 0.00 N ATOM 801 CA SER A 55 11.374 -3.174 6.923 1.00 0.00 C ATOM 802 C SER A 55 12.291 -3.045 5.711 1.00 0.00 C ATOM 803 O SER A 55 13.261 -2.279 5.777 1.00 0.00 O ATOM 804 CB SER A 55 11.942 -4.193 7.899 1.00 0.00 C ATOM 805 OG SER A 55 11.554 -3.923 9.239 1.00 0.00 O ATOM 0 H SER A 55 9.980 -4.662 6.595 1.00 0.00 H new ATOM 0 HA SER A 55 11.309 -2.174 7.352 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.604 -5.191 7.618 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.030 -4.193 7.830 1.00 0.00 H new ATOM 0 HG SER A 55 11.938 -4.601 9.834 1.00 0.00 H new ATOM 810 N TYR A 56 12.012 -3.763 4.624 1.00 0.00 N ATOM 811 CA TYR A 56 12.745 -3.689 3.387 1.00 0.00 C ATOM 812 C TYR A 56 11.769 -3.514 2.239 1.00 0.00 C ATOM 813 O TYR A 56 10.633 -3.992 2.294 1.00 0.00 O ATOM 814 CB TYR A 56 13.563 -4.971 3.252 1.00 0.00 C ATOM 815 CG TYR A 56 14.250 -5.120 1.919 1.00 0.00 C ATOM 816 CD1 TYR A 56 15.235 -4.184 1.589 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.859 -6.101 0.989 1.00 0.00 C ATOM 818 CE1 TYR A 56 15.863 -4.236 0.343 1.00 0.00 C ATOM 819 CE2 TYR A 56 14.457 -6.133 -0.293 1.00 0.00 C ATOM 820 CZ TYR A 56 15.495 -5.217 -0.597 1.00 0.00 C ATOM 821 OH TYR A 56 16.141 -5.256 -1.793 1.00 0.00 O ATOM 0 H TYR A 56 11.242 -4.431 4.592 1.00 0.00 H new ATOM 0 HA TYR A 56 13.423 -2.836 3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.314 -4.996 4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.907 -5.827 3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.511 -3.419 2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 56 13.105 -6.827 1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.634 -3.520 0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 56 14.126 -6.848 -1.032 1.00 0.00 H new ATOM 0 HH TYR A 56 15.950 -6.107 -2.240 1.00 0.00 H new ATOM 830 N MET A 57 12.251 -2.844 1.199 1.00 0.00 N ATOM 831 CA MET A 57 11.581 -2.671 -0.063 1.00 0.00 C ATOM 832 C MET A 57 12.608 -2.797 -1.176 1.00 0.00 C ATOM 833 O MET A 57 13.665 -2.157 -1.106 1.00 0.00 O ATOM 834 CB MET A 57 10.907 -1.290 -0.097 1.00 0.00 C ATOM 835 CG MET A 57 10.258 -0.954 -1.441 1.00 0.00 C ATOM 836 SD MET A 57 9.626 0.738 -1.593 1.00 0.00 S ATOM 837 CE MET A 57 7.899 0.361 -1.956 1.00 0.00 C ATOM 0 H MET A 57 13.164 -2.389 1.225 1.00 0.00 H new ATOM 0 HA MET A 57 10.812 -3.432 -0.197 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.148 -1.247 0.684 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.649 -0.527 0.138 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.989 -1.124 -2.232 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.436 -1.648 -1.613 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.401 1.257 -2.325 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.849 -0.421 -2.714 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.403 0.018 -1.048 1.00 0.00 H new ATOM 845 N ASP A 58 12.259 -3.524 -2.240 1.00 0.00 N ATOM 846 CA ASP A 58 13.033 -3.533 -3.477 1.00 0.00 C ATOM 847 C ASP A 58 12.243 -2.819 -4.584 1.00 0.00 C ATOM 848 O ASP A 58 11.117 -2.355 -4.376 1.00 0.00 O ATOM 849 CB ASP A 58 13.462 -4.969 -3.825 1.00 0.00 C ATOM 850 CG ASP A 58 14.419 -5.024 -5.015 1.00 0.00 C ATOM 851 OD1 ASP A 58 15.253 -4.109 -5.168 1.00 0.00 O ATOM 852 OD2 ASP A 58 14.316 -5.963 -5.842 1.00 0.00 O ATOM 0 H ASP A 58 11.433 -4.121 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 58 13.960 -2.973 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.941 -5.422 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.577 -5.565 -4.047 1.00 0.00 H new ATOM 856 N SER A 59 12.848 -2.667 -5.757 1.00 0.00 N ATOM 857 CA SER A 59 12.276 -1.924 -6.882 1.00 0.00 C ATOM 858 C SER A 59 10.992 -2.530 -7.480 1.00 0.00 C ATOM 859 O SER A 59 10.388 -1.887 -8.344 1.00 0.00 O ATOM 860 CB SER A 59 13.338 -1.644 -7.959 1.00 0.00 C ATOM 861 OG SER A 59 14.286 -2.686 -8.103 1.00 0.00 O ATOM 0 H SER A 59 13.766 -3.062 -5.960 1.00 0.00 H new ATOM 0 HA SER A 59 11.949 -0.974 -6.459 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.840 -1.482 -8.915 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.860 -0.720 -7.711 1.00 0.00 H new ATOM 0 HG SER A 59 14.930 -2.448 -8.802 1.00 0.00 H new ATOM 866 N ALA A 60 10.530 -3.718 -7.073 1.00 0.00 N ATOM 867 CA ALA A 60 9.266 -4.278 -7.546 1.00 0.00 C ATOM 868 C ALA A 60 8.112 -3.760 -6.679 1.00 0.00 C ATOM 869 O ALA A 60 6.980 -3.710 -7.153 1.00 0.00 O ATOM 870 CB ALA A 60 9.300 -5.808 -7.610 1.00 0.00 C ATOM 0 H ALA A 60 11.023 -4.314 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 60 9.103 -3.942 -8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.339 -6.179 -7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.088 -6.126 -8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.497 -6.209 -6.616 1.00 0.00 H new ATOM 876 N GLY A 61 8.378 -3.318 -5.444 1.00 0.00 N ATOM 877 CA GLY A 61 7.409 -2.811 -4.489 1.00 0.00 C ATOM 878 C GLY A 61 6.667 -1.625 -5.093 1.00 0.00 C ATOM 879 O GLY A 61 5.503 -1.643 -5.438 1.00 0.00 O ATOM 0 H GLY A 61 9.328 -3.308 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.702 -3.597 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.913 -2.508 -3.571 1.00 0.00 H new ATOM 883 N LEU A 62 7.383 -0.547 -5.314 1.00 0.00 N ATOM 884 CA LEU A 62 6.889 0.723 -5.848 1.00 0.00 C ATOM 885 C LEU A 62 6.268 0.568 -7.237 1.00 0.00 C ATOM 886 O LEU A 62 5.376 1.326 -7.606 1.00 0.00 O ATOM 887 CB LEU A 62 8.005 1.775 -5.902 1.00 0.00 C ATOM 888 CG LEU A 62 9.398 1.277 -6.319 1.00 0.00 C ATOM 889 CD1 LEU A 62 10.180 2.390 -7.011 1.00 0.00 C ATOM 890 CD2 LEU A 62 10.173 0.849 -5.074 1.00 0.00 C ATOM 0 H LEU A 62 8.384 -0.521 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 62 6.110 1.058 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.701 2.559 -6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.088 2.235 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 62 9.275 0.439 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.164 2.019 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.640 2.715 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.296 3.232 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.162 0.495 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.276 1.699 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.635 0.047 -4.568 1.00 0.00 H new ATOM 901 N GLY A 63 6.740 -0.422 -7.979 1.00 0.00 N ATOM 902 CA GLY A 63 6.311 -0.852 -9.307 1.00 0.00 C ATOM 903 C GLY A 63 5.108 -1.797 -9.256 1.00 0.00 C ATOM 904 O GLY A 63 4.536 -2.129 -10.291 1.00 0.00 O ATOM 0 H GLY A 63 7.506 -1.002 -7.636 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.056 0.023 -9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.140 -1.351 -9.809 1.00 0.00 H new ATOM 908 N THR A 64 4.718 -2.226 -8.061 1.00 0.00 N ATOM 909 CA THR A 64 3.469 -2.864 -7.724 1.00 0.00 C ATOM 910 C THR A 64 2.515 -1.738 -7.359 1.00 0.00 C ATOM 911 O THR A 64 1.464 -1.591 -7.979 1.00 0.00 O ATOM 912 CB THR A 64 3.717 -3.853 -6.567 1.00 0.00 C ATOM 913 OG1 THR A 64 4.584 -4.856 -7.066 1.00 0.00 O ATOM 914 CG2 THR A 64 2.427 -4.518 -6.093 1.00 0.00 C ATOM 0 H THR A 64 5.321 -2.124 -7.245 1.00 0.00 H new ATOM 0 HA THR A 64 3.039 -3.447 -8.539 1.00 0.00 H new ATOM 0 HB THR A 64 4.139 -3.315 -5.718 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.515 -4.579 -6.935 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.651 -5.206 -5.278 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.731 -3.755 -5.744 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.977 -5.069 -6.919 1.00 0.00 H new ATOM 922 N LEU A 65 2.904 -0.874 -6.416 1.00 0.00 N ATOM 923 CA LEU A 65 2.000 0.097 -5.845 1.00 0.00 C ATOM 924 C LEU A 65 1.445 1.042 -6.897 1.00 0.00 C ATOM 925 O LEU A 65 0.249 1.303 -6.929 1.00 0.00 O ATOM 926 CB LEU A 65 2.761 0.881 -4.778 1.00 0.00 C ATOM 927 CG LEU A 65 2.884 0.164 -3.424 1.00 0.00 C ATOM 928 CD1 LEU A 65 3.768 -1.055 -3.228 1.00 0.00 C ATOM 929 CD2 LEU A 65 3.431 1.191 -2.433 1.00 0.00 C ATOM 0 H LEU A 65 3.850 -0.837 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 65 1.148 -0.423 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.762 1.100 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.262 1.838 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 65 1.875 -0.230 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.699 -1.392 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.439 -1.854 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.802 -0.795 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.537 0.729 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.404 1.544 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.743 2.033 -2.365 1.00 0.00 H new ATOM 940 N VAL A 66 2.298 1.539 -7.783 1.00 0.00 N ATOM 941 CA VAL A 66 1.920 2.531 -8.779 1.00 0.00 C ATOM 942 C VAL A 66 0.957 1.979 -9.840 1.00 0.00 C ATOM 943 O VAL A 66 0.224 2.730 -10.488 1.00 0.00 O ATOM 944 CB VAL A 66 3.227 3.092 -9.344 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.930 2.122 -10.277 1.00 0.00 C ATOM 946 CG2 VAL A 66 3.004 4.446 -10.025 1.00 0.00 C ATOM 0 H VAL A 66 3.279 1.263 -7.830 1.00 0.00 H new ATOM 0 HA VAL A 66 1.339 3.336 -8.330 1.00 0.00 H new ATOM 0 HB VAL A 66 3.890 3.242 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.850 2.575 -10.646 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.168 1.205 -9.737 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.277 1.889 -11.118 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.951 4.817 -10.416 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.295 4.329 -10.844 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.607 5.157 -9.300 1.00 0.00 H new ATOM 956 N VAL A 67 0.918 0.658 -9.996 1.00 0.00 N ATOM 957 CA VAL A 67 -0.090 -0.019 -10.800 1.00 0.00 C ATOM 958 C VAL A 67 -1.440 0.092 -10.077 1.00 0.00 C ATOM 959 O VAL A 67 -2.454 0.386 -10.715 1.00 0.00 O ATOM 960 CB VAL A 67 0.370 -1.470 -11.083 1.00 0.00 C ATOM 961 CG1 VAL A 67 -0.630 -2.272 -11.919 1.00 0.00 C ATOM 962 CG2 VAL A 67 1.719 -1.456 -11.822 1.00 0.00 C ATOM 0 H VAL A 67 1.591 0.025 -9.564 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.218 0.446 -11.777 1.00 0.00 H new ATOM 0 HB VAL A 67 0.455 -1.956 -10.111 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.245 -3.279 -12.080 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.583 -2.328 -11.392 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.776 -1.781 -12.881 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.037 -2.480 -12.018 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.611 -0.922 -12.766 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.466 -0.956 -11.206 1.00 0.00 H new ATOM 972 N ILE A 68 -1.456 -0.047 -8.745 1.00 0.00 N ATOM 973 CA ILE A 68 -2.664 0.084 -7.932 1.00 0.00 C ATOM 974 C ILE A 68 -3.198 1.530 -7.973 1.00 0.00 C ATOM 975 O ILE A 68 -4.408 1.732 -7.844 1.00 0.00 O ATOM 976 CB ILE A 68 -2.427 -0.388 -6.476 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.735 -1.765 -6.324 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.746 -0.393 -5.680 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.544 -2.979 -6.760 1.00 0.00 C ATOM 0 H ILE A 68 -0.620 -0.256 -8.199 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.424 -0.569 -8.361 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.727 0.343 -6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.809 -1.747 -6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.459 -1.896 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.554 -0.728 -4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.162 0.614 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.456 -1.069 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.955 -3.883 -6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.459 -3.037 -6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.798 -2.887 -7.816 1.00 0.00 H new ATOM 990 N LEU A 69 -2.343 2.537 -8.225 1.00 0.00 N ATOM 991 CA LEU A 69 -2.756 3.932 -8.458 1.00 0.00 C ATOM 992 C LEU A 69 -3.769 4.050 -9.602 1.00 0.00 C ATOM 993 O LEU A 69 -4.473 5.055 -9.723 1.00 0.00 O ATOM 994 CB LEU A 69 -1.529 4.806 -8.785 1.00 0.00 C ATOM 995 CG LEU A 69 -1.722 6.329 -8.626 1.00 0.00 C ATOM 996 CD1 LEU A 69 -1.993 6.743 -7.174 1.00 0.00 C ATOM 997 CD2 LEU A 69 -0.452 7.051 -9.099 1.00 0.00 C ATOM 0 H LEU A 69 -1.333 2.403 -8.273 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.232 4.279 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.705 4.495 -8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.227 4.603 -9.812 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.590 6.605 -9.225 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.121 7.824 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.900 6.253 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.151 6.446 -6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.583 8.127 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.397 6.725 -8.498 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.267 6.813 -10.147 1.00 0.00 H new ATOM 1008 N LYS A 70 -3.849 3.027 -10.452 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.875 2.880 -11.459 1.00 0.00 C ATOM 1010 C LYS A 70 -5.943 1.923 -10.976 1.00 0.00 C ATOM 1011 O LYS A 70 -7.076 2.367 -10.915 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.205 2.551 -12.772 1.00 0.00 C ATOM 1013 CG LYS A 70 -5.236 2.359 -13.863 1.00 0.00 C ATOM 1014 CD LYS A 70 -4.593 2.426 -15.255 1.00 0.00 C ATOM 1015 CE LYS A 70 -3.979 3.789 -15.632 1.00 0.00 C ATOM 1016 NZ LYS A 70 -2.522 3.881 -15.363 1.00 0.00 N ATOM 0 H LYS A 70 -3.177 2.260 -10.451 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.427 3.802 -11.640 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.521 3.353 -13.048 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.608 1.645 -12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.730 1.396 -13.734 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.006 3.126 -13.778 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.814 1.666 -15.314 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.347 2.168 -15.998 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.157 3.977 -16.691 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.492 4.575 -15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.313 4.782 -14.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.231 3.091 -14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.000 3.835 -16.261 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.637 0.679 -10.593 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.628 -0.319 -10.178 1.00 0.00 C ATOM 1028 C ASP A 71 -7.692 0.266 -9.247 1.00 0.00 C ATOM 1029 O ASP A 71 -8.886 0.043 -9.439 1.00 0.00 O ATOM 1030 CB ASP A 71 -5.969 -1.491 -9.445 1.00 0.00 C ATOM 1031 CG ASP A 71 -5.210 -2.465 -10.326 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -4.166 -2.074 -10.892 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -5.608 -3.646 -10.409 1.00 0.00 O ATOM 0 H ASP A 71 -4.678 0.332 -10.562 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.099 -0.660 -11.100 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.282 -1.091 -8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.741 -2.040 -8.906 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.276 1.056 -8.254 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.177 1.718 -7.333 1.00 0.00 C ATOM 1039 C ALA A 72 -9.115 2.642 -8.104 1.00 0.00 C ATOM 1040 O ALA A 72 -10.328 2.473 -8.032 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.346 2.460 -6.282 1.00 0.00 C ATOM 0 H ALA A 72 -6.291 1.250 -8.073 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.805 0.995 -6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.012 2.964 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.722 1.748 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.712 3.198 -6.774 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.563 3.574 -8.879 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.275 4.508 -9.745 1.00 0.00 C ATOM 1049 C LYS A 73 -10.209 3.788 -10.729 1.00 0.00 C ATOM 1050 O LYS A 73 -11.293 4.317 -10.988 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.212 5.385 -10.435 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.739 6.519 -11.326 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.391 6.347 -12.816 1.00 0.00 C ATOM 1054 CE LYS A 73 -9.467 5.558 -13.577 1.00 0.00 C ATOM 1055 NZ LYS A 73 -9.524 5.958 -14.998 1.00 0.00 N ATOM 0 H LYS A 73 -7.552 3.704 -8.921 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.944 5.142 -9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.577 5.822 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.578 4.739 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.822 6.580 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.331 7.466 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.270 7.328 -13.275 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.434 5.833 -12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.256 4.491 -13.506 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.439 5.723 -13.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.260 5.407 -15.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.749 6.971 -15.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.603 5.777 -15.447 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.862 2.591 -11.225 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.726 1.777 -12.080 1.00 0.00 C ATOM 1067 C ILE A 74 -12.044 1.489 -11.345 1.00 0.00 C ATOM 1068 O ILE A 74 -13.102 1.585 -11.967 1.00 0.00 O ATOM 1069 CB ILE A 74 -10.014 0.482 -12.569 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -8.725 0.804 -13.366 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -10.938 -0.402 -13.426 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -7.971 -0.403 -13.930 1.00 0.00 C ATOM 0 H ILE A 74 -8.958 2.158 -11.038 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.956 2.337 -12.986 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.746 -0.071 -11.669 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.987 1.464 -14.193 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.049 1.360 -12.717 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.397 -1.293 -13.744 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.808 -0.696 -12.839 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.264 0.156 -14.303 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.087 -0.061 -14.468 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.668 -1.057 -13.112 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.621 -0.952 -14.612 1.00 0.00 H new ATOM 1083 N ASN A 75 -12.008 1.176 -10.041 1.00 0.00 N ATOM 1084 CA ASN A 75 -13.208 0.928 -9.227 1.00 0.00 C ATOM 1085 C ASN A 75 -13.602 2.153 -8.383 1.00 0.00 C ATOM 1086 O ASN A 75 -14.398 2.051 -7.448 1.00 0.00 O ATOM 1087 CB ASN A 75 -13.030 -0.333 -8.355 1.00 0.00 C ATOM 1088 CG ASN A 75 -14.362 -1.064 -8.139 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -15.179 -1.186 -9.051 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -14.609 -1.619 -6.964 1.00 0.00 N ATOM 0 H ASN A 75 -11.137 1.087 -9.517 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.035 0.747 -9.913 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.317 -1.007 -8.830 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.608 -0.052 -7.390 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.472 -2.144 -6.819 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.937 -1.522 -6.203 1.00 0.00 H new ATOM 1096 N GLY A 76 -13.010 3.315 -8.673 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.334 4.596 -8.061 1.00 0.00 C ATOM 1098 C GLY A 76 -12.815 4.747 -6.630 1.00 0.00 C ATOM 1099 O GLY A 76 -13.408 5.505 -5.860 1.00 0.00 O ATOM 0 H GLY A 76 -12.265 3.386 -9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.919 5.396 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.416 4.724 -8.060 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.759 4.030 -6.238 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.245 3.991 -4.870 1.00 0.00 C ATOM 1105 C LYS A 77 -9.983 4.839 -4.764 1.00 0.00 C ATOM 1106 O LYS A 77 -9.323 5.110 -5.768 1.00 0.00 O ATOM 1107 CB LYS A 77 -10.989 2.528 -4.459 1.00 0.00 C ATOM 1108 CG LYS A 77 -12.208 1.613 -4.664 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.357 1.908 -3.687 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.690 1.459 -4.293 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.632 0.849 -3.333 1.00 0.00 N ATOM 0 H LYS A 77 -11.225 3.446 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.981 4.410 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.150 2.138 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.695 2.499 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.571 1.725 -5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.898 0.574 -4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.185 1.390 -2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.391 2.974 -3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.171 2.321 -4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.488 0.742 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.524 0.622 -3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.217 -0.023 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.819 1.517 -2.558 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.654 5.247 -3.542 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.506 6.094 -3.241 1.00 0.00 C ATOM 1123 C GLU A 78 -7.285 5.225 -2.902 1.00 0.00 C ATOM 1124 O GLU A 78 -7.332 3.995 -3.017 1.00 0.00 O ATOM 1125 CB GLU A 78 -8.899 7.021 -2.070 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.169 8.363 -2.046 1.00 0.00 C ATOM 1127 CD GLU A 78 -8.304 9.161 -3.342 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -9.415 9.175 -3.933 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -7.276 9.730 -3.763 1.00 0.00 O ATOM 0 H GLU A 78 -10.192 4.991 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.230 6.703 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.972 7.207 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.706 6.501 -1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.554 8.961 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.112 8.188 -1.847 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.176 5.845 -2.490 1.00 0.00 N ATOM 1135 CA PHE A 79 -4.958 5.155 -2.102 1.00 0.00 C ATOM 1136 C PHE A 79 -4.030 6.100 -1.340 1.00 0.00 C ATOM 1137 O PHE A 79 -3.713 7.194 -1.814 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.312 4.646 -3.389 1.00 0.00 C ATOM 1139 CG PHE A 79 -2.835 4.361 -3.293 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.382 3.251 -2.560 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -1.913 5.257 -3.858 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.006 3.073 -2.347 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.541 5.089 -3.623 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.088 4.013 -2.849 1.00 0.00 C ATOM 0 H PHE A 79 -6.105 6.860 -2.418 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.168 4.321 -1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.823 3.734 -3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.474 5.384 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.089 2.538 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.260 6.074 -4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.652 2.214 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.167 5.790 -4.039 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.966 3.905 -2.638 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.582 5.675 -0.158 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.677 6.364 0.768 1.00 0.00 C ATOM 1155 C ILE A 80 -1.784 5.269 1.372 1.00 0.00 C ATOM 1156 O ILE A 80 -2.243 4.130 1.484 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.475 7.127 1.854 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.448 8.150 1.226 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.507 7.841 2.816 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.514 8.625 2.204 1.00 0.00 C ATOM 0 H ILE A 80 -3.865 4.766 0.208 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.074 7.118 0.262 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.066 6.399 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.882 9.009 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.931 7.700 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.077 8.375 3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.862 7.105 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.895 8.549 2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.169 9.342 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.101 7.772 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.036 9.102 3.060 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.559 5.592 1.795 1.00 0.00 N ATOM 1172 CA LEU A 81 0.339 4.727 2.548 1.00 0.00 C ATOM 1173 C LEU A 81 0.534 5.424 3.888 1.00 0.00 C ATOM 1174 O LEU A 81 0.839 6.615 3.900 1.00 0.00 O ATOM 1175 CB LEU A 81 1.714 4.647 1.851 1.00 0.00 C ATOM 1176 CG LEU A 81 1.711 4.226 0.375 1.00 0.00 C ATOM 1177 CD1 LEU A 81 3.129 4.305 -0.183 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.176 2.812 0.196 1.00 0.00 C ATOM 0 H LEU A 81 -0.152 6.509 1.610 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.067 3.719 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.192 5.624 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.337 3.944 2.405 1.00 0.00 H new ATOM 0 HG LEU A 81 1.055 4.908 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.125 4.006 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.497 5.328 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.780 3.638 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.189 2.549 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.802 2.113 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.154 2.760 0.570 1.00 0.00 H new ATOM 1189 N SER A 82 0.461 4.691 4.987 1.00 0.00 N ATOM 1190 CA SER A 82 0.799 5.193 6.302 1.00 0.00 C ATOM 1191 C SER A 82 1.790 4.273 6.998 1.00 0.00 C ATOM 1192 O SER A 82 1.946 3.101 6.652 1.00 0.00 O ATOM 1193 CB SER A 82 -0.489 5.419 7.104 1.00 0.00 C ATOM 1194 OG SER A 82 -0.678 6.799 7.265 1.00 0.00 O ATOM 0 H SER A 82 0.160 3.716 4.987 1.00 0.00 H new ATOM 0 HA SER A 82 1.303 6.155 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.340 4.978 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.420 4.930 8.076 1.00 0.00 H new ATOM 0 HG SER A 82 -1.374 6.958 7.936 1.00 0.00 H new ATOM 1199 N SER A 83 2.438 4.817 8.025 1.00 0.00 N ATOM 1200 CA SER A 83 3.378 4.111 8.884 1.00 0.00 C ATOM 1201 C SER A 83 4.585 3.548 8.116 1.00 0.00 C ATOM 1202 O SER A 83 5.134 2.510 8.504 1.00 0.00 O ATOM 1203 CB SER A 83 2.606 3.019 9.641 1.00 0.00 C ATOM 1204 OG SER A 83 3.320 2.624 10.794 1.00 0.00 O ATOM 0 H SER A 83 2.317 5.795 8.289 1.00 0.00 H new ATOM 0 HA SER A 83 3.810 4.816 9.595 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.621 3.390 9.924 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.447 2.159 8.991 1.00 0.00 H new ATOM 0 HG SER A 83 4.244 2.407 10.549 1.00 0.00 H new ATOM 1209 N LEU A 84 4.999 4.205 7.028 1.00 0.00 N ATOM 1210 CA LEU A 84 6.176 3.810 6.261 1.00 0.00 C ATOM 1211 C LEU A 84 7.412 3.943 7.134 1.00 0.00 C ATOM 1212 O LEU A 84 7.501 4.861 7.952 1.00 0.00 O ATOM 1213 CB LEU A 84 6.301 4.703 5.018 1.00 0.00 C ATOM 1214 CG LEU A 84 5.395 4.218 3.880 1.00 0.00 C ATOM 1215 CD1 LEU A 84 5.094 5.362 2.919 1.00 0.00 C ATOM 1216 CD2 LEU A 84 6.091 3.087 3.130 1.00 0.00 C ATOM 0 H LEU A 84 4.523 5.027 6.657 1.00 0.00 H new ATOM 0 HA LEU A 84 6.078 2.773 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.041 5.729 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.337 4.713 4.680 1.00 0.00 H new ATOM 0 HG LEU A 84 4.456 3.858 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.450 5.003 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.590 6.166 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.026 5.737 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.450 2.739 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.033 3.449 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.288 2.263 3.816 1.00 0.00 H new ATOM 1227 N LYS A 85 8.386 3.045 6.964 1.00 0.00 N ATOM 1228 CA LYS A 85 9.666 3.200 7.654 1.00 0.00 C ATOM 1229 C LYS A 85 10.488 4.234 6.951 1.00 0.00 C ATOM 1230 O LYS A 85 10.428 4.339 5.731 1.00 0.00 O ATOM 1231 CB LYS A 85 10.443 1.896 7.778 1.00 0.00 C ATOM 1232 CG LYS A 85 9.566 0.892 8.508 1.00 0.00 C ATOM 1233 CD LYS A 85 10.399 -0.100 9.314 1.00 0.00 C ATOM 1234 CE LYS A 85 9.403 -1.099 9.868 1.00 0.00 C ATOM 1235 NZ LYS A 85 10.002 -2.060 10.818 1.00 0.00 N ATOM 0 H LYS A 85 8.315 2.221 6.368 1.00 0.00 H new ATOM 0 HA LYS A 85 9.448 3.521 8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.714 1.519 6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.373 2.057 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.884 1.420 9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.953 0.352 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.142 -0.592 8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.941 0.401 10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.598 -0.560 10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.953 -1.649 9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.246 -2.566 11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.588 -2.743 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.593 -1.548 11.503 1.00 0.00 H new ATOM 1245 N GLU A 86 11.375 4.879 7.692 1.00 0.00 N ATOM 1246 CA GLU A 86 12.247 5.914 7.126 1.00 0.00 C ATOM 1247 C GLU A 86 13.096 5.307 6.003 1.00 0.00 C ATOM 1248 O GLU A 86 13.339 5.935 4.972 1.00 0.00 O ATOM 1249 CB GLU A 86 13.152 6.525 8.207 1.00 0.00 C ATOM 1250 CG GLU A 86 13.941 7.737 7.671 1.00 0.00 C ATOM 1251 CD GLU A 86 15.367 7.793 8.212 1.00 0.00 C ATOM 1252 OE1 GLU A 86 16.278 7.149 7.628 1.00 0.00 O ATOM 1253 OE2 GLU A 86 15.601 8.519 9.204 1.00 0.00 O ATOM 0 H GLU A 86 11.515 4.709 8.688 1.00 0.00 H new ATOM 0 HA GLU A 86 11.625 6.712 6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.545 6.833 9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.848 5.769 8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.971 7.694 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.418 8.655 7.940 1.00 0.00 H new ATOM 1258 N SER A 87 13.466 4.031 6.162 1.00 0.00 N ATOM 1259 CA SER A 87 14.271 3.282 5.203 1.00 0.00 C ATOM 1260 C SER A 87 13.592 3.203 3.825 1.00 0.00 C ATOM 1261 O SER A 87 14.253 2.944 2.823 1.00 0.00 O ATOM 1262 CB SER A 87 14.537 1.880 5.785 1.00 0.00 C ATOM 1263 OG SER A 87 15.729 1.313 5.277 1.00 0.00 O ATOM 0 H SER A 87 13.206 3.482 6.981 1.00 0.00 H new ATOM 0 HA SER A 87 15.217 3.798 5.043 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.600 1.944 6.871 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.697 1.226 5.553 1.00 0.00 H new ATOM 0 HG SER A 87 15.863 0.426 5.671 1.00 0.00 H new ATOM 1268 N ILE A 88 12.289 3.471 3.762 1.00 0.00 N ATOM 1269 CA ILE A 88 11.376 3.191 2.675 1.00 0.00 C ATOM 1270 C ILE A 88 10.794 4.528 2.216 1.00 0.00 C ATOM 1271 O ILE A 88 10.712 4.800 1.019 1.00 0.00 O ATOM 1272 CB ILE A 88 10.270 2.241 3.173 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.792 1.010 3.968 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.405 1.900 1.955 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.113 -0.239 3.163 1.00 0.00 C ATOM 0 H ILE A 88 11.813 3.928 4.540 1.00 0.00 H new ATOM 0 HA ILE A 88 11.880 2.704 1.840 1.00 0.00 H new ATOM 0 HB ILE A 88 9.661 2.736 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.692 1.309 4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 88 10.046 0.748 4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.603 1.226 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.976 2.815 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.020 1.416 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.467 -1.023 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.215 -0.580 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.888 -0.011 2.431 1.00 0.00 H new ATOM 1286 N SER A 89 10.450 5.403 3.156 1.00 0.00 N ATOM 1287 CA SER A 89 9.952 6.726 2.846 1.00 0.00 C ATOM 1288 C SER A 89 10.983 7.462 1.975 1.00 0.00 C ATOM 1289 O SER A 89 10.678 7.965 0.891 1.00 0.00 O ATOM 1290 CB SER A 89 9.668 7.513 4.129 1.00 0.00 C ATOM 1291 OG SER A 89 8.831 6.794 5.008 1.00 0.00 O ATOM 0 H SER A 89 10.511 5.208 4.155 1.00 0.00 H new ATOM 0 HA SER A 89 9.014 6.637 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.608 7.744 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.199 8.464 3.876 1.00 0.00 H new ATOM 0 HG SER A 89 9.337 6.060 5.414 1.00 0.00 H new ATOM 1296 N ARG A 90 12.251 7.444 2.412 1.00 0.00 N ATOM 1297 CA ARG A 90 13.379 7.967 1.643 1.00 0.00 C ATOM 1298 C ARG A 90 13.475 7.345 0.256 1.00 0.00 C ATOM 1299 O ARG A 90 13.909 8.003 -0.681 1.00 0.00 O ATOM 1300 CB ARG A 90 14.688 7.740 2.403 1.00 0.00 C ATOM 1301 CG ARG A 90 15.174 6.293 2.312 1.00 0.00 C ATOM 1302 CD ARG A 90 16.186 5.979 3.390 1.00 0.00 C ATOM 1303 NE ARG A 90 17.541 6.458 3.079 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.527 6.699 3.956 1.00 0.00 C ATOM 1305 NH1 ARG A 90 18.304 6.890 5.256 1.00 0.00 N ATOM 1306 NH2 ARG A 90 19.758 6.750 3.479 1.00 0.00 N ATOM 0 H ARG A 90 12.520 7.061 3.318 1.00 0.00 H new ATOM 0 HA ARG A 90 13.208 9.035 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.456 8.403 2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.548 8.008 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.324 5.616 2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.619 6.118 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.857 6.427 4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.217 4.901 3.545 1.00 0.00 H new ATOM 0 HE ARG A 90 17.753 6.624 2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.352 6.856 5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.085 7.070 5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.925 6.609 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.541 6.931 4.107 1.00 0.00 H new ATOM 1317 N ILE A 91 13.146 6.060 0.135 1.00 0.00 N ATOM 1318 CA ILE A 91 13.345 5.283 -1.068 1.00 0.00 C ATOM 1319 C ILE A 91 12.357 5.818 -2.107 1.00 0.00 C ATOM 1320 O ILE A 91 12.728 6.094 -3.250 1.00 0.00 O ATOM 1321 CB ILE A 91 13.133 3.780 -0.738 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.494 3.107 -0.520 1.00 0.00 C ATOM 1323 CG2 ILE A 91 12.287 3.036 -1.783 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.393 1.630 -0.115 1.00 0.00 C ATOM 0 H ILE A 91 12.724 5.525 0.894 1.00 0.00 H new ATOM 0 HA ILE A 91 14.355 5.371 -1.469 1.00 0.00 H new ATOM 0 HB ILE A 91 12.552 3.725 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.079 3.184 -1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.039 3.650 0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.180 1.992 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.302 3.497 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.778 3.090 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.394 1.221 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.836 1.546 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.877 1.073 -0.897 1.00 0.00 H new ATOM 1335 N LEU A 92 11.088 5.980 -1.707 1.00 0.00 N ATOM 1336 CA LEU A 92 10.024 6.528 -2.519 1.00 0.00 C ATOM 1337 C LEU A 92 10.511 7.877 -3.019 1.00 0.00 C ATOM 1338 O LEU A 92 10.603 8.067 -4.226 1.00 0.00 O ATOM 1339 CB LEU A 92 8.720 6.641 -1.697 1.00 0.00 C ATOM 1340 CG LEU A 92 8.174 5.275 -1.210 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.177 5.455 -0.067 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.504 4.493 -2.339 1.00 0.00 C ATOM 0 H LEU A 92 10.776 5.719 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 92 9.788 5.883 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.899 7.280 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.959 7.132 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 92 9.034 4.707 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.811 4.480 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.669 5.951 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.339 6.063 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.136 3.542 -1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.670 5.071 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.228 4.307 -3.132 1.00 0.00 H new ATOM 1353 N LYS A 93 10.937 8.775 -2.127 1.00 0.00 N ATOM 1354 CA LYS A 93 11.469 10.081 -2.488 1.00 0.00 C ATOM 1355 C LYS A 93 12.586 9.956 -3.523 1.00 0.00 C ATOM 1356 O LYS A 93 12.538 10.618 -4.560 1.00 0.00 O ATOM 1357 CB LYS A 93 11.891 10.756 -1.182 1.00 0.00 C ATOM 1358 CG LYS A 93 12.846 11.935 -1.342 1.00 0.00 C ATOM 1359 CD LYS A 93 12.217 13.298 -1.052 1.00 0.00 C ATOM 1360 CE LYS A 93 13.291 14.253 -0.521 1.00 0.00 C ATOM 1361 NZ LYS A 93 12.774 15.627 -0.398 1.00 0.00 N ATOM 0 H LYS A 93 10.920 8.608 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 93 10.724 10.705 -2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.996 11.101 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.363 10.011 -0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.697 11.791 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.235 11.937 -2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.770 13.705 -1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.415 13.192 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.641 13.906 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.151 14.245 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.525 16.249 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.463 15.966 -1.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.969 15.637 0.260 1.00 0.00 H new ATOM 1371 N LEU A 94 13.586 9.121 -3.264 1.00 0.00 N ATOM 1372 CA LEU A 94 14.732 8.917 -4.144 1.00 0.00 C ATOM 1373 C LEU A 94 14.315 8.399 -5.521 1.00 0.00 C ATOM 1374 O LEU A 94 14.970 8.714 -6.515 1.00 0.00 O ATOM 1375 CB LEU A 94 15.714 7.959 -3.443 1.00 0.00 C ATOM 1376 CG LEU A 94 16.589 8.686 -2.401 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.331 7.654 -1.547 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.607 9.643 -3.040 1.00 0.00 C ATOM 0 H LEU A 94 13.624 8.554 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 94 15.222 9.873 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.155 7.162 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.355 7.488 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 94 15.920 9.288 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.949 8.168 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.609 7.019 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.964 7.040 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.194 10.125 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.271 9.082 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.080 10.402 -3.618 1.00 0.00 H new ATOM 1389 N THR A 95 13.194 7.683 -5.611 1.00 0.00 N ATOM 1390 CA THR A 95 12.624 7.210 -6.871 1.00 0.00 C ATOM 1391 C THR A 95 11.544 8.161 -7.409 1.00 0.00 C ATOM 1392 O THR A 95 10.794 7.822 -8.317 1.00 0.00 O ATOM 1393 CB THR A 95 12.168 5.741 -6.736 1.00 0.00 C ATOM 1394 OG1 THR A 95 12.899 5.016 -5.754 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.390 5.009 -8.063 1.00 0.00 C ATOM 0 H THR A 95 12.647 7.411 -4.794 1.00 0.00 H new ATOM 0 HA THR A 95 13.400 7.221 -7.636 1.00 0.00 H new ATOM 0 HB THR A 95 11.118 5.781 -6.446 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.697 5.375 -4.865 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.067 3.972 -7.965 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.812 5.496 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.449 5.037 -8.321 1.00 0.00 H new ATOM 1403 N HIS A 96 11.503 9.391 -6.897 1.00 0.00 N ATOM 1404 CA HIS A 96 10.507 10.433 -7.123 1.00 0.00 C ATOM 1405 C HIS A 96 9.073 9.987 -6.871 1.00 0.00 C ATOM 1406 O HIS A 96 8.156 10.558 -7.450 1.00 0.00 O ATOM 1407 CB HIS A 96 10.573 11.082 -8.521 1.00 0.00 C ATOM 1408 CG HIS A 96 11.953 11.455 -8.992 1.00 0.00 C ATOM 1409 ND1 HIS A 96 12.987 10.582 -9.286 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.423 12.733 -9.097 1.00 0.00 C ATOM 1411 CE1 HIS A 96 14.087 11.329 -9.483 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.761 12.630 -9.412 1.00 0.00 N ATOM 0 H HIS A 96 12.231 9.709 -6.257 1.00 0.00 H new ATOM 0 HA HIS A 96 10.782 11.179 -6.378 1.00 0.00 H new ATOM 0 HB2 HIS A 96 10.134 10.395 -9.244 1.00 0.00 H new ATOM 0 HB3 HIS A 96 9.954 11.979 -8.517 1.00 0.00 H new ATOM 0 HD2 HIS A 96 11.858 13.644 -8.960 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.078 10.943 -9.669 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.398 13.412 -9.566 1.00 0.00 H new ATOM 1420 N LEU A 97 8.852 8.960 -6.067 1.00 0.00 N ATOM 1421 CA LEU A 97 7.528 8.453 -5.799 1.00 0.00 C ATOM 1422 C LEU A 97 6.794 9.309 -4.792 1.00 0.00 C ATOM 1423 O LEU A 97 5.581 9.426 -4.892 1.00 0.00 O ATOM 1424 CB LEU A 97 7.597 7.005 -5.311 1.00 0.00 C ATOM 1425 CG LEU A 97 6.954 6.109 -6.379 1.00 0.00 C ATOM 1426 CD1 LEU A 97 7.900 5.881 -7.562 1.00 0.00 C ATOM 1427 CD2 LEU A 97 6.586 4.795 -5.718 1.00 0.00 C ATOM 0 H LEU A 97 9.594 8.456 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 97 6.970 8.487 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.632 6.710 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.074 6.899 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 97 6.064 6.593 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.413 5.243 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.149 6.839 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.812 5.399 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.126 4.135 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.485 4.324 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.883 4.981 -4.906 1.00 0.00 H new ATOM 1438 N ASP A 98 7.482 9.901 -3.815 1.00 0.00 N ATOM 1439 CA ASP A 98 6.793 10.625 -2.744 1.00 0.00 C ATOM 1440 C ASP A 98 6.004 11.800 -3.329 1.00 0.00 C ATOM 1441 O ASP A 98 4.866 12.050 -2.931 1.00 0.00 O ATOM 1442 CB ASP A 98 7.781 11.060 -1.639 1.00 0.00 C ATOM 1443 CG ASP A 98 7.878 12.580 -1.448 1.00 0.00 C ATOM 1444 OD1 ASP A 98 7.034 13.158 -0.738 1.00 0.00 O ATOM 1445 OD2 ASP A 98 8.806 13.209 -2.011 1.00 0.00 O ATOM 0 H ASP A 98 8.499 9.895 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 98 6.077 9.957 -2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.478 10.605 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.771 10.671 -1.878 1.00 0.00 H new ATOM 1449 N LYS A 99 6.559 12.463 -4.346 1.00 0.00 N ATOM 1450 CA LYS A 99 5.892 13.535 -5.073 1.00 0.00 C ATOM 1451 C LYS A 99 4.657 13.096 -5.874 1.00 0.00 C ATOM 1452 O LYS A 99 3.914 13.965 -6.329 1.00 0.00 O ATOM 1453 CB LYS A 99 6.906 14.296 -5.932 1.00 0.00 C ATOM 1454 CG LYS A 99 7.601 13.397 -6.935 1.00 0.00 C ATOM 1455 CD LYS A 99 8.228 14.182 -8.093 1.00 0.00 C ATOM 1456 CE LYS A 99 7.775 13.570 -9.419 1.00 0.00 C ATOM 1457 NZ LYS A 99 8.186 14.386 -10.570 1.00 0.00 N ATOM 0 H LYS A 99 7.499 12.264 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 99 5.485 14.211 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.398 15.102 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.651 14.759 -5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.377 12.823 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.883 12.680 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.930 15.229 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.315 14.156 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.192 12.568 -9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.690 13.465 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.859 13.936 -11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.767 15.335 -10.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.223 14.466 -10.587 1.00 0.00 H new ATOM 1467 N ILE A 100 4.395 11.798 -6.046 1.00 0.00 N ATOM 1468 CA ILE A 100 3.301 11.272 -6.860 1.00 0.00 C ATOM 1469 C ILE A 100 2.399 10.327 -6.056 1.00 0.00 C ATOM 1470 O ILE A 100 1.417 9.818 -6.592 1.00 0.00 O ATOM 1471 CB ILE A 100 3.860 10.650 -8.158 1.00 0.00 C ATOM 1472 CG1 ILE A 100 5.009 9.658 -7.937 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.351 11.745 -9.121 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.524 8.962 -9.209 1.00 0.00 C ATOM 0 H ILE A 100 4.955 11.065 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 100 2.650 12.093 -7.160 1.00 0.00 H new ATOM 0 HB ILE A 100 3.023 10.096 -8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.840 10.186 -7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.679 8.895 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.741 11.284 -10.028 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.521 12.404 -9.376 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.140 12.324 -8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.335 8.281 -8.949 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.712 8.400 -9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.891 9.711 -9.911 1.00 0.00 H new ATOM 1485 N PHE A 101 2.704 10.106 -4.777 1.00 0.00 N ATOM 1486 CA PHE A 101 2.022 9.205 -3.851 1.00 0.00 C ATOM 1487 C PHE A 101 1.594 10.007 -2.615 1.00 0.00 C ATOM 1488 O PHE A 101 1.878 11.207 -2.505 1.00 0.00 O ATOM 1489 CB PHE A 101 3.003 8.093 -3.429 1.00 0.00 C ATOM 1490 CG PHE A 101 3.069 6.840 -4.283 1.00 0.00 C ATOM 1491 CD1 PHE A 101 3.202 6.876 -5.682 1.00 0.00 C ATOM 1492 CD2 PHE A 101 3.075 5.593 -3.650 1.00 0.00 C ATOM 1493 CE1 PHE A 101 3.330 5.706 -6.432 1.00 0.00 C ATOM 1494 CE2 PHE A 101 3.250 4.419 -4.380 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.356 4.484 -5.768 1.00 0.00 C ATOM 0 H PHE A 101 3.487 10.585 -4.332 1.00 0.00 H new ATOM 0 HA PHE A 101 1.146 8.761 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.003 8.526 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.749 7.792 -2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.205 7.830 -6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.942 5.539 -2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.407 5.749 -7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.303 3.466 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.460 3.572 -6.337 1.00 0.00 H new ATOM 1504 N LYS A 102 0.950 9.350 -1.646 1.00 0.00 N ATOM 1505 CA LYS A 102 0.589 9.921 -0.358 1.00 0.00 C ATOM 1506 C LYS A 102 1.195 9.073 0.733 1.00 0.00 C ATOM 1507 O LYS A 102 1.129 7.846 0.677 1.00 0.00 O ATOM 1508 CB LYS A 102 -0.935 10.067 -0.272 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.439 11.005 0.832 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.692 11.772 0.379 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.667 11.927 1.543 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.787 12.830 1.203 1.00 0.00 N ATOM 0 H LYS A 102 0.660 8.377 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 102 0.991 10.926 -0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.304 10.430 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.370 9.080 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.667 10.427 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.653 11.712 1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.409 12.754 -0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.175 11.241 -0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.060 10.949 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.137 12.316 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.428 12.910 2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.414 13.770 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.308 12.445 0.389 1.00 0.00 H new ATOM 1522 N ILE A 103 1.844 9.764 1.662 1.00 0.00 N ATOM 1523 CA ILE A 103 2.535 9.203 2.789 1.00 0.00 C ATOM 1524 C ILE A 103 1.985 9.949 3.996 1.00 0.00 C ATOM 1525 O ILE A 103 1.972 11.183 3.995 1.00 0.00 O ATOM 1526 CB ILE A 103 4.074 9.320 2.644 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.632 8.498 1.455 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.738 8.849 3.954 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.704 9.273 0.135 1.00 0.00 C ATOM 0 H ILE A 103 1.898 10.782 1.637 1.00 0.00 H new ATOM 0 HA ILE A 103 2.367 8.130 2.885 1.00 0.00 H new ATOM 0 HB ILE A 103 4.306 10.366 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.631 8.143 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.007 7.616 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.821 8.928 3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.398 9.474 4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.465 7.812 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.105 8.626 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.705 9.605 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.353 10.140 0.257 1.00 0.00 H new ATOM 1540 N THR A 104 1.563 9.200 5.001 1.00 0.00 N ATOM 1541 CA THR A 104 1.098 9.681 6.283 1.00 0.00 C ATOM 1542 C THR A 104 1.781 8.841 7.386 1.00 0.00 C ATOM 1543 O THR A 104 2.546 7.902 7.120 1.00 0.00 O ATOM 1544 CB THR A 104 -0.449 9.736 6.262 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.037 8.701 5.499 1.00 0.00 O ATOM 1546 CG2 THR A 104 -0.979 11.011 5.604 1.00 0.00 C ATOM 0 H THR A 104 1.536 8.182 4.936 1.00 0.00 H new ATOM 0 HA THR A 104 1.386 10.707 6.511 1.00 0.00 H new ATOM 0 HB THR A 104 -0.711 9.663 7.318 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.220 7.932 6.078 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.069 11.000 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.619 11.881 6.154 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.627 11.062 4.574 1.00 0.00 H new ATOM 1554 N ASP A 105 1.593 9.219 8.643 1.00 0.00 N ATOM 1555 CA ASP A 105 2.410 8.801 9.787 1.00 0.00 C ATOM 1556 C ASP A 105 1.796 7.571 10.418 1.00 0.00 C ATOM 1557 O ASP A 105 2.472 6.600 10.754 1.00 0.00 O ATOM 1558 CB ASP A 105 2.429 9.916 10.856 1.00 0.00 C ATOM 1559 CG ASP A 105 3.819 10.423 11.245 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.816 10.266 10.498 1.00 0.00 O ATOM 1561 OD2 ASP A 105 3.955 10.882 12.400 1.00 0.00 O ATOM 0 H ASP A 105 0.838 9.851 8.910 1.00 0.00 H new ATOM 0 HA ASP A 105 3.421 8.595 9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.842 10.758 10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.931 9.546 11.752 1.00 0.00 H new ATOM 1565 N THR A 106 0.485 7.627 10.595 1.00 0.00 N ATOM 1566 CA THR A 106 -0.317 6.596 11.210 1.00 0.00 C ATOM 1567 C THR A 106 -1.461 6.360 10.249 1.00 0.00 C ATOM 1568 O THR A 106 -1.871 7.269 9.520 1.00 0.00 O ATOM 1569 CB THR A 106 -0.810 7.051 12.596 1.00 0.00 C ATOM 1570 OG1 THR A 106 -1.538 8.266 12.527 1.00 0.00 O ATOM 1571 CG2 THR A 106 0.356 7.268 13.559 1.00 0.00 C ATOM 0 H THR A 106 -0.068 8.431 10.298 1.00 0.00 H new ATOM 0 HA THR A 106 0.244 5.677 11.383 1.00 0.00 H new ATOM 0 HB THR A 106 -1.457 6.252 12.958 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.835 8.521 13.425 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.027 7.589 14.528 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.908 6.336 13.678 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.020 8.035 13.160 1.00 0.00 H new ATOM 1579 N VAL A 107 -1.994 5.147 10.227 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.187 4.827 9.460 1.00 0.00 C ATOM 1581 C VAL A 107 -4.280 5.857 9.780 1.00 0.00 C ATOM 1582 O VAL A 107 -4.948 6.336 8.870 1.00 0.00 O ATOM 1583 CB VAL A 107 -3.572 3.402 9.849 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -4.993 3.038 9.477 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -2.641 2.328 9.292 1.00 0.00 C ATOM 0 H VAL A 107 -1.609 4.355 10.742 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.031 4.873 8.382 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.476 3.415 10.935 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.198 2.012 9.783 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.685 3.712 9.982 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.121 3.127 8.398 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.985 1.345 9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.643 2.374 8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.629 2.497 9.660 1.00 0.00 H new ATOM 1595 N GLU A 108 -4.417 6.236 11.053 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.371 7.224 11.539 1.00 0.00 C ATOM 1597 C GLU A 108 -5.336 8.525 10.732 1.00 0.00 C ATOM 1598 O GLU A 108 -6.382 9.136 10.510 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.093 7.489 13.029 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.038 6.682 13.931 1.00 0.00 C ATOM 1601 CD GLU A 108 -7.436 7.300 14.091 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -7.926 7.968 13.151 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -8.071 7.119 15.152 1.00 0.00 O ATOM 0 H GLU A 108 -3.842 5.845 11.799 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.376 6.822 11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.060 7.230 13.259 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.209 8.552 13.238 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.142 5.677 13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.583 6.580 14.916 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.160 8.989 10.314 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.018 10.269 9.640 1.00 0.00 C ATOM 1610 C GLU A 109 -4.615 10.266 8.227 1.00 0.00 C ATOM 1611 O GLU A 109 -5.056 11.313 7.749 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.526 10.594 9.612 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.246 11.918 8.909 1.00 0.00 C ATOM 1614 CD GLU A 109 -0.804 12.336 9.110 1.00 0.00 C ATOM 1615 OE1 GLU A 109 0.089 11.529 8.794 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -0.625 13.471 9.612 1.00 0.00 O ATOM 0 H GLU A 109 -3.281 8.485 10.435 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.576 11.032 10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.144 10.637 10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.989 9.793 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.457 11.822 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.911 12.689 9.297 1.00 0.00 H new ATOM 1621 N ALA A 110 -4.621 9.111 7.561 1.00 0.00 N ATOM 1622 CA ALA A 110 -4.998 8.994 6.161 1.00 0.00 C ATOM 1623 C ALA A 110 -6.468 9.341 5.979 1.00 0.00 C ATOM 1624 O ALA A 110 -6.790 10.195 5.132 1.00 0.00 O ATOM 1625 CB ALA A 110 -4.691 7.580 5.688 1.00 0.00 C ATOM 0 H ALA A 110 -4.360 8.222 7.988 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.425 9.698 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.969 7.479 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.625 7.382 5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.258 6.866 6.284 1.00 0.00 H new