USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1099 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 54 HIS : no HE2:sc= -4.05! C(o=-4.3!,f=-17!) USER MOD Set 1.2: A 129 GLN : amide:sc= -0.239 K(o=-4.3,f=-11!) USER MOD Set 2.1: A 47 CYS SG : rot 180:sc= -0.724 USER MOD Set 2.2: A 49 THR OG1 : rot -89:sc= 0.501 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -141:sc= -0.0733 (180deg=-0.311) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 69:sc= 1.49 USER MOD Single : A 23 GLN : amide:sc= -0.591 K(o=-0.59,f=-2.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.68) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.187 USER MOD Single : A 67 HIS : no HD1:sc= -0.693 K(o=-0.69,f=-2.5!) USER MOD Single : A 74 THR OG1 : rot -140:sc= -0.135 USER MOD Single : A 76 LYS NZ :NH3+ -140:sc= -0.101 (180deg=-2.19!) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 102 TYR OH : rot 93:sc= -0.129 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00341 USER MOD Single : A 127 GLN : amide:sc= -2.97! X(o=-3!,f=-3.5) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot -50:sc= 0.538 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.242 -6.634 7.504 1.00 0.00 N ATOM 2 CA MET A 1 12.003 -5.250 7.876 1.00 0.00 C ATOM 3 C MET A 1 11.488 -4.443 6.683 1.00 0.00 C ATOM 4 O MET A 1 12.265 -3.786 5.991 1.00 0.00 O ATOM 5 CB MET A 1 13.302 -4.628 8.392 1.00 0.00 C ATOM 6 CG MET A 1 13.220 -4.351 9.894 1.00 0.00 C ATOM 7 SD MET A 1 12.192 -2.923 10.196 1.00 0.00 S ATOM 8 CE MET A 1 13.199 -2.063 11.392 1.00 0.00 C ATOM 0 H1 MET A 1 12.591 -7.160 8.330 1.00 0.00 H new ATOM 0 H2 MET A 1 11.355 -7.062 7.170 1.00 0.00 H new ATOM 0 H3 MET A 1 12.952 -6.672 6.745 1.00 0.00 H new ATOM 0 HA MET A 1 11.245 -5.229 8.659 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.137 -5.299 8.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.502 -3.699 7.858 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.811 -5.219 10.411 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.219 -4.182 10.296 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.701 -1.141 11.691 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.345 -2.696 12.267 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.167 -1.826 10.950 1.00 0.00 H new ATOM 18 N VAL A 2 10.181 -4.518 6.479 1.00 0.00 N ATOM 19 CA VAL A 2 9.553 -3.802 5.381 1.00 0.00 C ATOM 20 C VAL A 2 10.017 -4.404 4.054 1.00 0.00 C ATOM 21 O VAL A 2 11.179 -4.779 3.910 1.00 0.00 O ATOM 22 CB VAL A 2 9.850 -2.305 5.495 1.00 0.00 C ATOM 23 CG1 VAL A 2 9.125 -1.518 4.401 1.00 0.00 C ATOM 24 CG2 VAL A 2 9.485 -1.778 6.884 1.00 0.00 C ATOM 0 H VAL A 2 9.540 -5.063 7.055 1.00 0.00 H new ATOM 0 HA VAL A 2 8.469 -3.909 5.425 1.00 0.00 H new ATOM 0 HB VAL A 2 10.922 -2.164 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.353 -0.457 4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.455 -1.866 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.050 -1.669 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.706 -0.712 6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.422 -1.938 7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.066 -2.308 7.639 1.00 0.00 H new ATOM 34 N PRO A 3 9.058 -4.482 3.092 1.00 0.00 N ATOM 35 CA PRO A 3 9.357 -5.032 1.781 1.00 0.00 C ATOM 36 C PRO A 3 10.168 -4.043 0.942 1.00 0.00 C ATOM 37 O PRO A 3 10.372 -2.900 1.349 1.00 0.00 O ATOM 38 CB PRO A 3 8.002 -5.356 1.172 1.00 0.00 C ATOM 39 CG PRO A 3 6.986 -4.551 1.966 1.00 0.00 C ATOM 40 CD PRO A 3 7.671 -4.048 3.226 1.00 0.00 C ATOM 0 HA PRO A 3 9.980 -5.925 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.974 -5.088 0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.790 -6.423 1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.615 -3.715 1.374 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.125 -5.169 2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.602 -2.963 3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.210 -4.466 4.121 1.00 0.00 H new ATOM 48 N PRO A 4 10.620 -4.530 -0.244 1.00 0.00 N ATOM 49 CA PRO A 4 11.405 -3.701 -1.144 1.00 0.00 C ATOM 50 C PRO A 4 10.519 -2.681 -1.862 1.00 0.00 C ATOM 51 O PRO A 4 10.770 -1.479 -1.793 1.00 0.00 O ATOM 52 CB PRO A 4 12.075 -4.679 -2.095 1.00 0.00 C ATOM 53 CG PRO A 4 11.283 -5.972 -1.991 1.00 0.00 C ATOM 54 CD PRO A 4 10.398 -5.878 -0.759 1.00 0.00 C ATOM 0 HA PRO A 4 12.150 -3.100 -0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.068 -4.298 -3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.118 -4.837 -1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.678 -6.122 -2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.955 -6.826 -1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.350 -6.038 -1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.666 -6.633 -0.020 1.00 0.00 H new ATOM 62 N LYS A 5 9.501 -3.198 -2.534 1.00 0.00 N ATOM 63 CA LYS A 5 8.577 -2.347 -3.264 1.00 0.00 C ATOM 64 C LYS A 5 8.336 -1.063 -2.468 1.00 0.00 C ATOM 65 O LYS A 5 8.365 0.033 -3.027 1.00 0.00 O ATOM 66 CB LYS A 5 7.295 -3.112 -3.600 1.00 0.00 C ATOM 67 CG LYS A 5 7.527 -4.092 -4.752 1.00 0.00 C ATOM 68 CD LYS A 5 8.166 -3.387 -5.950 1.00 0.00 C ATOM 69 CE LYS A 5 9.687 -3.557 -5.939 1.00 0.00 C ATOM 70 NZ LYS A 5 10.350 -2.318 -6.401 1.00 0.00 N ATOM 0 H LYS A 5 9.296 -4.196 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 5 9.006 -2.053 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.950 -3.655 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.507 -2.408 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.171 -4.906 -4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.579 -4.538 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.758 -3.793 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.915 -2.327 -5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.024 -3.803 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.970 -4.390 -6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.167 -2.563 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.677 -1.750 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.672 -1.769 -5.578 1.00 0.00 H new ATOM 84 N LEU A 6 8.104 -1.240 -1.176 1.00 0.00 N ATOM 85 CA LEU A 6 7.858 -0.109 -0.298 1.00 0.00 C ATOM 86 C LEU A 6 9.168 0.646 -0.067 1.00 0.00 C ATOM 87 O LEU A 6 9.318 1.786 -0.505 1.00 0.00 O ATOM 88 CB LEU A 6 7.179 -0.571 0.993 1.00 0.00 C ATOM 89 CG LEU A 6 6.775 0.535 1.971 1.00 0.00 C ATOM 90 CD1 LEU A 6 5.557 1.304 1.457 1.00 0.00 C ATOM 91 CD2 LEU A 6 6.546 -0.031 3.374 1.00 0.00 C ATOM 0 H LEU A 6 8.081 -2.150 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 6 7.164 0.591 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.287 -1.138 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.851 -1.257 1.508 1.00 0.00 H new ATOM 0 HG LEU A 6 7.598 1.246 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.291 2.084 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.793 1.758 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.717 0.619 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.260 0.775 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.751 -0.776 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.464 -0.497 3.733 1.00 0.00 H new ATOM 103 N LYS A 7 10.085 -0.020 0.621 1.00 0.00 N ATOM 104 CA LYS A 7 11.378 0.574 0.915 1.00 0.00 C ATOM 105 C LYS A 7 11.853 1.378 -0.297 1.00 0.00 C ATOM 106 O LYS A 7 12.559 2.374 -0.148 1.00 0.00 O ATOM 107 CB LYS A 7 12.369 -0.499 1.368 1.00 0.00 C ATOM 108 CG LYS A 7 13.589 0.132 2.044 1.00 0.00 C ATOM 109 CD LYS A 7 13.689 -0.300 3.509 1.00 0.00 C ATOM 110 CE LYS A 7 14.761 0.504 4.246 1.00 0.00 C ATOM 111 NZ LYS A 7 14.671 0.273 5.705 1.00 0.00 N ATOM 0 H LYS A 7 9.958 -0.965 0.983 1.00 0.00 H new ATOM 0 HA LYS A 7 11.296 1.272 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.878 -1.183 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.689 -1.089 0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.495 -0.159 1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.520 1.218 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.725 -0.162 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.925 -1.363 3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.750 0.218 3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.639 1.566 4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.406 0.826 6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.734 0.568 6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.810 -0.738 5.906 1.00 0.00 H new ATOM 125 N GLN A 8 11.446 0.915 -1.470 1.00 0.00 N ATOM 126 CA GLN A 8 11.821 1.578 -2.708 1.00 0.00 C ATOM 127 C GLN A 8 10.921 2.790 -2.955 1.00 0.00 C ATOM 128 O GLN A 8 11.410 3.897 -3.174 1.00 0.00 O ATOM 129 CB GLN A 8 11.769 0.606 -3.888 1.00 0.00 C ATOM 130 CG GLN A 8 13.176 0.278 -4.391 1.00 0.00 C ATOM 131 CD GLN A 8 13.412 0.867 -5.783 1.00 0.00 C ATOM 132 OE1 GLN A 8 12.660 1.695 -6.271 1.00 0.00 O ATOM 133 NE2 GLN A 8 14.495 0.396 -6.394 1.00 0.00 N ATOM 0 H GLN A 8 10.860 0.089 -1.589 1.00 0.00 H new ATOM 0 HA GLN A 8 12.849 1.927 -2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.264 -0.311 -3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.182 1.041 -4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.916 0.673 -3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.312 -0.803 -4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.082 -0.297 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.739 0.727 -7.327 1.00 0.00 H new ATOM 142 N ALA A 9 9.620 2.539 -2.910 1.00 0.00 N ATOM 143 CA ALA A 9 8.647 3.596 -3.127 1.00 0.00 C ATOM 144 C ALA A 9 8.938 4.755 -2.171 1.00 0.00 C ATOM 145 O ALA A 9 8.813 5.920 -2.546 1.00 0.00 O ATOM 146 CB ALA A 9 7.235 3.034 -2.949 1.00 0.00 C ATOM 0 H ALA A 9 9.218 1.620 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 9 8.719 3.981 -4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.505 3.827 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.068 2.234 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.125 2.641 -1.938 1.00 0.00 H new ATOM 152 N LEU A 10 9.319 4.395 -0.954 1.00 0.00 N ATOM 153 CA LEU A 10 9.628 5.390 0.058 1.00 0.00 C ATOM 154 C LEU A 10 10.971 6.046 -0.271 1.00 0.00 C ATOM 155 O LEU A 10 11.038 7.255 -0.491 1.00 0.00 O ATOM 156 CB LEU A 10 9.574 4.768 1.455 1.00 0.00 C ATOM 157 CG LEU A 10 8.177 4.464 2.000 1.00 0.00 C ATOM 158 CD1 LEU A 10 8.259 3.668 3.304 1.00 0.00 C ATOM 159 CD2 LEU A 10 7.361 5.748 2.163 1.00 0.00 C ATOM 0 H LEU A 10 9.421 3.428 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 10 8.877 6.180 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.147 3.841 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.075 5.441 2.150 1.00 0.00 H new ATOM 0 HG LEU A 10 7.655 3.841 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.253 3.465 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.776 2.726 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.807 4.245 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.372 5.504 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.869 6.416 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.259 6.240 1.196 1.00 0.00 H new ATOM 171 N GLU A 11 12.007 5.220 -0.295 1.00 0.00 N ATOM 172 CA GLU A 11 13.343 5.705 -0.594 1.00 0.00 C ATOM 173 C GLU A 11 13.328 6.555 -1.866 1.00 0.00 C ATOM 174 O GLU A 11 13.874 7.657 -1.888 1.00 0.00 O ATOM 175 CB GLU A 11 14.332 4.544 -0.723 1.00 0.00 C ATOM 176 CG GLU A 11 14.786 4.056 0.654 1.00 0.00 C ATOM 177 CD GLU A 11 16.087 3.257 0.551 1.00 0.00 C ATOM 178 OE1 GLU A 11 17.102 3.873 0.159 1.00 0.00 O ATOM 179 OE2 GLU A 11 16.037 2.049 0.866 1.00 0.00 O ATOM 0 H GLU A 11 11.948 4.218 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 11 13.674 6.332 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.866 3.723 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.198 4.862 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.931 4.909 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.008 3.435 1.099 1.00 0.00 H new ATOM 186 N LEU A 12 12.695 6.011 -2.896 1.00 0.00 N ATOM 187 CA LEU A 12 12.601 6.706 -4.168 1.00 0.00 C ATOM 188 C LEU A 12 11.978 8.085 -3.947 1.00 0.00 C ATOM 189 O LEU A 12 12.479 9.086 -4.456 1.00 0.00 O ATOM 190 CB LEU A 12 11.852 5.850 -5.192 1.00 0.00 C ATOM 191 CG LEU A 12 11.535 6.525 -6.528 1.00 0.00 C ATOM 192 CD1 LEU A 12 12.815 6.805 -7.317 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.533 5.699 -7.336 1.00 0.00 C ATOM 0 H LEU A 12 12.243 5.097 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 12 13.594 6.868 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.443 4.956 -5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.915 5.519 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 12 11.066 7.487 -6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.562 7.285 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.463 7.463 -6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.334 5.867 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.325 6.201 -8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.951 4.712 -7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.608 5.594 -6.770 1.00 0.00 H new ATOM 205 N PHE A 13 10.893 8.094 -3.185 1.00 0.00 N ATOM 206 CA PHE A 13 10.196 9.334 -2.890 1.00 0.00 C ATOM 207 C PHE A 13 11.158 10.383 -2.328 1.00 0.00 C ATOM 208 O PHE A 13 11.307 11.463 -2.899 1.00 0.00 O ATOM 209 CB PHE A 13 9.138 9.012 -1.833 1.00 0.00 C ATOM 210 CG PHE A 13 8.050 10.078 -1.697 1.00 0.00 C ATOM 211 CD1 PHE A 13 7.292 10.419 -2.774 1.00 0.00 C ATOM 212 CD2 PHE A 13 7.839 10.686 -0.498 1.00 0.00 C ATOM 213 CE1 PHE A 13 6.282 11.409 -2.647 1.00 0.00 C ATOM 214 CE2 PHE A 13 6.829 11.676 -0.371 1.00 0.00 C ATOM 215 CZ PHE A 13 6.072 12.017 -1.448 1.00 0.00 C ATOM 0 H PHE A 13 10.480 7.262 -2.763 1.00 0.00 H new ATOM 0 HA PHE A 13 9.752 9.737 -3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.670 8.059 -2.081 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.630 8.884 -0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.458 9.937 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.440 10.415 0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.680 11.679 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.662 12.158 0.581 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.304 12.770 -1.352 1.00 0.00 H new ATOM 225 N LYS A 14 11.785 10.029 -1.216 1.00 0.00 N ATOM 226 CA LYS A 14 12.728 10.926 -0.571 1.00 0.00 C ATOM 227 C LYS A 14 13.818 11.318 -1.570 1.00 0.00 C ATOM 228 O LYS A 14 14.486 12.337 -1.399 1.00 0.00 O ATOM 229 CB LYS A 14 13.270 10.300 0.715 1.00 0.00 C ATOM 230 CG LYS A 14 14.149 11.291 1.481 1.00 0.00 C ATOM 231 CD LYS A 14 15.169 10.559 2.354 1.00 0.00 C ATOM 232 CE LYS A 14 16.471 10.314 1.588 1.00 0.00 C ATOM 233 NZ LYS A 14 17.520 11.258 2.033 1.00 0.00 N ATOM 0 H LYS A 14 11.658 9.133 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 14 12.229 11.846 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.440 9.982 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.848 9.408 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.668 11.941 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.524 11.930 2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.375 11.146 3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.753 9.607 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.805 9.289 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.298 10.431 0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.397 11.078 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.205 12.234 1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.697 11.127 3.049 1.00 0.00 H new ATOM 247 N SER A 15 13.965 10.488 -2.593 1.00 0.00 N ATOM 248 CA SER A 15 14.963 10.735 -3.620 1.00 0.00 C ATOM 249 C SER A 15 14.345 11.535 -4.768 1.00 0.00 C ATOM 250 O SER A 15 15.060 12.159 -5.551 1.00 0.00 O ATOM 251 CB SER A 15 15.551 9.423 -4.143 1.00 0.00 C ATOM 252 OG SER A 15 16.809 9.620 -4.783 1.00 0.00 O ATOM 0 H SER A 15 13.410 9.644 -2.732 1.00 0.00 H new ATOM 0 HA SER A 15 15.774 11.314 -3.178 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.671 8.724 -3.315 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.854 8.968 -4.846 1.00 0.00 H new ATOM 0 HG SER A 15 17.152 8.759 -5.102 1.00 0.00 H new ATOM 258 N LEU A 16 13.022 11.492 -4.833 1.00 0.00 N ATOM 259 CA LEU A 16 12.300 12.205 -5.873 1.00 0.00 C ATOM 260 C LEU A 16 12.338 13.705 -5.577 1.00 0.00 C ATOM 261 O LEU A 16 12.544 14.111 -4.434 1.00 0.00 O ATOM 262 CB LEU A 16 10.885 11.643 -6.023 1.00 0.00 C ATOM 263 CG LEU A 16 10.763 10.329 -6.798 1.00 0.00 C ATOM 264 CD1 LEU A 16 9.310 9.852 -6.843 1.00 0.00 C ATOM 265 CD2 LEU A 16 11.367 10.460 -8.197 1.00 0.00 C ATOM 0 H LEU A 16 12.431 10.974 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 16 12.781 12.059 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.467 11.495 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.268 12.393 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 16 11.336 9.566 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.251 8.917 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.947 9.693 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.695 10.606 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.267 9.512 -8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.843 11.241 -8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.422 10.720 -8.115 1.00 0.00 H new ATOM 277 N PRO A 17 12.131 14.509 -6.654 1.00 0.00 N ATOM 278 CA PRO A 17 12.140 15.956 -6.521 1.00 0.00 C ATOM 279 C PRO A 17 10.853 16.453 -5.859 1.00 0.00 C ATOM 280 O PRO A 17 9.763 15.985 -6.184 1.00 0.00 O ATOM 281 CB PRO A 17 12.320 16.480 -7.937 1.00 0.00 C ATOM 282 CG PRO A 17 11.941 15.332 -8.858 1.00 0.00 C ATOM 283 CD PRO A 17 11.884 14.063 -8.022 1.00 0.00 C ATOM 0 HA PRO A 17 12.940 16.314 -5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.687 17.349 -8.115 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.349 16.795 -8.109 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.977 15.523 -9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.672 15.228 -9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.914 13.574 -8.110 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.635 13.342 -8.345 1.00 0.00 H new ATOM 291 N LYS A 18 11.023 17.396 -4.944 1.00 0.00 N ATOM 292 CA LYS A 18 9.889 17.962 -4.233 1.00 0.00 C ATOM 293 C LYS A 18 8.683 18.024 -5.173 1.00 0.00 C ATOM 294 O LYS A 18 7.704 17.305 -4.981 1.00 0.00 O ATOM 295 CB LYS A 18 10.261 19.313 -3.620 1.00 0.00 C ATOM 296 CG LYS A 18 9.391 19.620 -2.400 1.00 0.00 C ATOM 297 CD LYS A 18 9.687 21.017 -1.852 1.00 0.00 C ATOM 298 CE LYS A 18 9.500 21.063 -0.334 1.00 0.00 C ATOM 299 NZ LYS A 18 10.337 22.128 0.260 1.00 0.00 N ATOM 0 H LYS A 18 11.929 17.782 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 18 9.608 17.325 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.312 19.308 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.140 20.100 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.338 19.548 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.571 18.876 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.708 21.301 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.027 21.744 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.451 21.242 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.766 20.099 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.198 22.145 1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.338 21.941 0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.065 23.048 -0.141 1.00 0.00 H new ATOM 313 N GLU A 19 8.794 18.891 -6.169 1.00 0.00 N ATOM 314 CA GLU A 19 7.725 19.057 -7.140 1.00 0.00 C ATOM 315 C GLU A 19 7.021 17.721 -7.387 1.00 0.00 C ATOM 316 O GLU A 19 5.794 17.644 -7.336 1.00 0.00 O ATOM 317 CB GLU A 19 8.259 19.645 -8.447 1.00 0.00 C ATOM 318 CG GLU A 19 7.398 19.210 -9.636 1.00 0.00 C ATOM 319 CD GLU A 19 7.917 19.819 -10.940 1.00 0.00 C ATOM 320 OE1 GLU A 19 8.924 19.287 -11.454 1.00 0.00 O ATOM 321 OE2 GLU A 19 7.294 20.804 -11.393 1.00 0.00 O ATOM 0 H GLU A 19 9.608 19.486 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 19 6.997 19.760 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.272 20.733 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.289 19.322 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.400 18.123 -9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.365 19.517 -9.473 1.00 0.00 H new ATOM 328 N LEU A 20 7.827 16.703 -7.648 1.00 0.00 N ATOM 329 CA LEU A 20 7.296 15.374 -7.903 1.00 0.00 C ATOM 330 C LEU A 20 6.769 14.781 -6.595 1.00 0.00 C ATOM 331 O LEU A 20 5.660 14.251 -6.552 1.00 0.00 O ATOM 332 CB LEU A 20 8.345 14.502 -8.596 1.00 0.00 C ATOM 333 CG LEU A 20 8.469 14.677 -10.111 1.00 0.00 C ATOM 334 CD1 LEU A 20 8.732 16.139 -10.474 1.00 0.00 C ATOM 335 CD2 LEU A 20 9.536 13.742 -10.685 1.00 0.00 C ATOM 0 H LEU A 20 8.844 16.771 -7.689 1.00 0.00 H new ATOM 0 HA LEU A 20 6.453 15.426 -8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.316 14.709 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.114 13.457 -8.389 1.00 0.00 H new ATOM 0 HG LEU A 20 7.519 14.399 -10.566 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.816 16.236 -11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.908 16.756 -10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.660 16.468 -10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.604 13.886 -11.763 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.500 13.965 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.265 12.708 -10.474 1.00 0.00 H new ATOM 347 N ARG A 21 7.589 14.890 -5.560 1.00 0.00 N ATOM 348 CA ARG A 21 7.219 14.370 -4.255 1.00 0.00 C ATOM 349 C ARG A 21 5.728 14.596 -3.996 1.00 0.00 C ATOM 350 O ARG A 21 5.086 13.801 -3.312 1.00 0.00 O ATOM 351 CB ARG A 21 8.030 15.043 -3.145 1.00 0.00 C ATOM 352 CG ARG A 21 9.512 14.679 -3.250 1.00 0.00 C ATOM 353 CD ARG A 21 10.176 14.680 -1.872 1.00 0.00 C ATOM 354 NE ARG A 21 11.632 14.909 -2.012 1.00 0.00 N ATOM 355 CZ ARG A 21 12.432 15.289 -1.007 1.00 0.00 C ATOM 356 NH1 ARG A 21 11.924 15.484 0.218 1.00 0.00 N ATOM 357 NH2 ARG A 21 13.741 15.473 -1.226 1.00 0.00 N ATOM 0 H ARG A 21 8.508 15.331 -5.599 1.00 0.00 H new ATOM 0 HA ARG A 21 7.434 13.301 -4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.912 16.125 -3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.645 14.737 -2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.617 13.695 -3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.019 15.390 -3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.736 15.457 -1.248 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.996 13.729 -1.371 1.00 0.00 H new ATOM 0 HE ARG A 21 12.052 14.769 -2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.928 15.343 0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.534 15.773 0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.128 15.324 -2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.350 15.762 -0.461 1.00 0.00 H new ATOM 371 N SER A 22 5.221 15.684 -4.558 1.00 0.00 N ATOM 372 CA SER A 22 3.818 16.024 -4.398 1.00 0.00 C ATOM 373 C SER A 22 2.997 15.408 -5.532 1.00 0.00 C ATOM 374 O SER A 22 1.913 14.874 -5.300 1.00 0.00 O ATOM 375 CB SER A 22 3.619 17.540 -4.361 1.00 0.00 C ATOM 376 OG SER A 22 2.767 17.942 -3.292 1.00 0.00 O ATOM 0 H SER A 22 5.757 16.341 -5.125 1.00 0.00 H new ATOM 0 HA SER A 22 3.474 15.617 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.587 18.030 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.194 17.873 -5.308 1.00 0.00 H new ATOM 0 HG SER A 22 3.224 17.797 -2.437 1.00 0.00 H new ATOM 382 N GLN A 23 3.544 15.504 -6.735 1.00 0.00 N ATOM 383 CA GLN A 23 2.876 14.963 -7.906 1.00 0.00 C ATOM 384 C GLN A 23 2.732 13.444 -7.782 1.00 0.00 C ATOM 385 O GLN A 23 1.646 12.902 -7.979 1.00 0.00 O ATOM 386 CB GLN A 23 3.623 15.340 -9.187 1.00 0.00 C ATOM 387 CG GLN A 23 4.018 16.818 -9.177 1.00 0.00 C ATOM 388 CD GLN A 23 3.226 17.604 -10.223 1.00 0.00 C ATOM 389 OE1 GLN A 23 2.288 17.112 -10.828 1.00 0.00 O ATOM 390 NE2 GLN A 23 3.654 18.851 -10.401 1.00 0.00 N ATOM 0 H GLN A 23 4.442 15.949 -6.924 1.00 0.00 H new ATOM 0 HA GLN A 23 1.879 15.399 -7.964 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.515 14.722 -9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.994 15.134 -10.053 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.839 17.239 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.085 16.914 -9.376 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.446 19.200 -9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.190 19.458 -11.077 1.00 0.00 H new ATOM 399 N VAL A 24 3.844 12.802 -7.456 1.00 0.00 N ATOM 400 CA VAL A 24 3.856 11.357 -7.303 1.00 0.00 C ATOM 401 C VAL A 24 2.690 10.934 -6.407 1.00 0.00 C ATOM 402 O VAL A 24 1.816 10.181 -6.833 1.00 0.00 O ATOM 403 CB VAL A 24 5.216 10.898 -6.772 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.137 9.472 -6.222 1.00 0.00 C ATOM 405 CG2 VAL A 24 6.292 11.010 -7.853 1.00 0.00 C ATOM 0 H VAL A 24 4.743 13.256 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 24 3.718 10.869 -8.268 1.00 0.00 H new ATOM 0 HB VAL A 24 5.496 11.558 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.117 9.170 -5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.414 9.436 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.824 8.793 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.249 10.678 -7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.020 10.385 -8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.375 12.047 -8.177 1.00 0.00 H new ATOM 415 N LEU A 25 2.715 11.436 -5.181 1.00 0.00 N ATOM 416 CA LEU A 25 1.672 11.120 -4.221 1.00 0.00 C ATOM 417 C LEU A 25 0.312 11.164 -4.920 1.00 0.00 C ATOM 418 O LEU A 25 -0.519 10.278 -4.725 1.00 0.00 O ATOM 419 CB LEU A 25 1.768 12.040 -3.002 1.00 0.00 C ATOM 420 CG LEU A 25 2.977 11.823 -2.091 1.00 0.00 C ATOM 421 CD1 LEU A 25 2.948 12.786 -0.902 1.00 0.00 C ATOM 422 CD2 LEU A 25 3.070 10.363 -1.643 1.00 0.00 C ATOM 0 H LEU A 25 3.442 12.060 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 25 1.801 10.108 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.782 13.072 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.863 11.917 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 25 3.879 12.044 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.819 12.610 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.965 13.813 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.040 12.621 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.938 10.235 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.167 10.092 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.171 9.720 -2.517 1.00 0.00 H new ATOM 434 N LEU A 26 0.126 12.204 -5.719 1.00 0.00 N ATOM 435 CA LEU A 26 -1.119 12.376 -6.448 1.00 0.00 C ATOM 436 C LEU A 26 -1.373 11.140 -7.313 1.00 0.00 C ATOM 437 O LEU A 26 -2.373 10.447 -7.135 1.00 0.00 O ATOM 438 CB LEU A 26 -1.102 13.686 -7.237 1.00 0.00 C ATOM 439 CG LEU A 26 -2.002 14.803 -6.703 1.00 0.00 C ATOM 440 CD1 LEU A 26 -3.407 14.278 -6.403 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.370 15.479 -5.484 1.00 0.00 C ATOM 0 H LEU A 26 0.817 12.937 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.957 12.459 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.077 14.056 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.394 13.472 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.101 15.563 -7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.026 15.091 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.849 13.879 -7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.348 13.488 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.029 16.269 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.222 14.742 -4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.408 15.909 -5.764 1.00 0.00 H new ATOM 453 N GLU A 27 -0.449 10.901 -8.233 1.00 0.00 N ATOM 454 CA GLU A 27 -0.560 9.761 -9.126 1.00 0.00 C ATOM 455 C GLU A 27 -0.981 8.514 -8.346 1.00 0.00 C ATOM 456 O GLU A 27 -2.038 7.941 -8.607 1.00 0.00 O ATOM 457 CB GLU A 27 0.753 9.522 -9.876 1.00 0.00 C ATOM 458 CG GLU A 27 1.313 10.832 -10.432 1.00 0.00 C ATOM 459 CD GLU A 27 1.718 10.677 -11.899 1.00 0.00 C ATOM 460 OE1 GLU A 27 2.301 9.618 -12.217 1.00 0.00 O ATOM 461 OE2 GLU A 27 1.436 11.620 -12.669 1.00 0.00 O ATOM 0 H GLU A 27 0.380 11.478 -8.379 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.329 9.978 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.481 9.067 -9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.587 8.818 -10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.565 11.620 -10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.177 11.141 -9.843 1.00 0.00 H new ATOM 468 N TYR A 28 -0.132 8.129 -7.404 1.00 0.00 N ATOM 469 CA TYR A 28 -0.402 6.961 -6.584 1.00 0.00 C ATOM 470 C TYR A 28 -1.893 6.855 -6.256 1.00 0.00 C ATOM 471 O TYR A 28 -2.506 5.810 -6.468 1.00 0.00 O ATOM 472 CB TYR A 28 0.381 7.166 -5.286 1.00 0.00 C ATOM 473 CG TYR A 28 1.847 6.736 -5.369 1.00 0.00 C ATOM 474 CD1 TYR A 28 2.412 6.445 -6.594 1.00 0.00 C ATOM 475 CD2 TYR A 28 2.604 6.639 -4.219 1.00 0.00 C ATOM 476 CE1 TYR A 28 3.792 6.040 -6.672 1.00 0.00 C ATOM 477 CE2 TYR A 28 3.983 6.234 -4.297 1.00 0.00 C ATOM 478 CZ TYR A 28 4.509 5.955 -5.520 1.00 0.00 C ATOM 479 OH TYR A 28 5.813 5.572 -5.594 1.00 0.00 O ATOM 0 H TYR A 28 0.744 8.606 -7.191 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.112 6.050 -7.107 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.337 8.220 -5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.106 6.607 -4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.820 6.521 -7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.162 6.867 -3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.247 5.809 -7.624 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.586 6.153 -3.405 1.00 0.00 H new ATOM 0 HH TYR A 28 6.201 5.556 -4.694 1.00 0.00 H new ATOM 489 N ALA A 29 -2.432 7.951 -5.743 1.00 0.00 N ATOM 490 CA ALA A 29 -3.839 7.995 -5.382 1.00 0.00 C ATOM 491 C ALA A 29 -4.685 7.621 -6.601 1.00 0.00 C ATOM 492 O ALA A 29 -5.607 6.813 -6.497 1.00 0.00 O ATOM 493 CB ALA A 29 -4.184 9.382 -4.836 1.00 0.00 C ATOM 0 H ALA A 29 -1.920 8.816 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.056 7.273 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.239 9.414 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.577 9.587 -3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.982 10.134 -5.599 1.00 0.00 H new ATOM 499 N ALA A 30 -4.341 8.227 -7.728 1.00 0.00 N ATOM 500 CA ALA A 30 -5.058 7.968 -8.966 1.00 0.00 C ATOM 501 C ALA A 30 -4.787 6.531 -9.415 1.00 0.00 C ATOM 502 O ALA A 30 -5.499 5.998 -10.265 1.00 0.00 O ATOM 503 CB ALA A 30 -4.644 8.996 -10.020 1.00 0.00 C ATOM 0 H ALA A 30 -3.576 8.896 -7.810 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.133 8.070 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.181 8.802 -10.948 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.884 9.998 -9.665 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.571 8.921 -10.199 1.00 0.00 H new ATOM 509 N LYS A 31 -3.756 5.944 -8.825 1.00 0.00 N ATOM 510 CA LYS A 31 -3.383 4.579 -9.154 1.00 0.00 C ATOM 511 C LYS A 31 -4.226 3.609 -8.324 1.00 0.00 C ATOM 512 O LYS A 31 -4.535 2.507 -8.775 1.00 0.00 O ATOM 513 CB LYS A 31 -1.875 4.381 -8.986 1.00 0.00 C ATOM 514 CG LYS A 31 -1.153 4.504 -10.330 1.00 0.00 C ATOM 515 CD LYS A 31 -0.547 5.899 -10.500 1.00 0.00 C ATOM 516 CE LYS A 31 0.961 5.817 -10.744 1.00 0.00 C ATOM 517 NZ LYS A 31 1.257 5.902 -12.192 1.00 0.00 N ATOM 0 H LYS A 31 -3.167 6.389 -8.121 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.595 4.369 -10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.483 5.122 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.679 3.400 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.367 3.752 -10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.852 4.306 -11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.027 6.408 -11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.743 6.495 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.465 6.626 -10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.350 4.882 -10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.285 5.845 -12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.791 5.116 -12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.903 6.805 -12.566 1.00 0.00 H new ATOM 531 N VAL A 32 -4.575 4.055 -7.126 1.00 0.00 N ATOM 532 CA VAL A 32 -5.377 3.241 -6.229 1.00 0.00 C ATOM 533 C VAL A 32 -6.700 2.888 -6.912 1.00 0.00 C ATOM 534 O VAL A 32 -7.547 3.756 -7.118 1.00 0.00 O ATOM 535 CB VAL A 32 -5.568 3.965 -4.895 1.00 0.00 C ATOM 536 CG1 VAL A 32 -6.366 3.104 -3.913 1.00 0.00 C ATOM 537 CG2 VAL A 32 -4.221 4.373 -4.295 1.00 0.00 C ATOM 0 H VAL A 32 -4.317 4.970 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.867 2.304 -6.005 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.139 4.873 -5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.487 3.642 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.347 2.885 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.833 2.171 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.385 4.886 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.614 3.484 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.703 5.041 -4.984 1.00 0.00 H new ATOM 547 N PRO A 33 -6.839 1.579 -7.254 1.00 0.00 N ATOM 548 CA PRO A 33 -8.045 1.102 -7.910 1.00 0.00 C ATOM 549 C PRO A 33 -9.206 1.002 -6.919 1.00 0.00 C ATOM 550 O PRO A 33 -8.998 1.045 -5.707 1.00 0.00 O ATOM 551 CB PRO A 33 -7.660 -0.241 -8.511 1.00 0.00 C ATOM 552 CG PRO A 33 -6.401 -0.679 -7.780 1.00 0.00 C ATOM 553 CD PRO A 33 -5.857 0.524 -7.026 1.00 0.00 C ATOM 0 HA PRO A 33 -8.401 1.783 -8.683 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.460 -0.970 -8.382 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.479 -0.152 -9.582 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.624 -1.493 -7.090 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.660 -1.054 -8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.747 0.309 -5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.873 0.812 -7.397 1.00 0.00 H new ATOM 561 N PRO A 34 -10.435 0.867 -7.485 1.00 0.00 N ATOM 562 CA PRO A 34 -11.629 0.761 -6.664 1.00 0.00 C ATOM 563 C PRO A 34 -11.734 -0.625 -6.024 1.00 0.00 C ATOM 564 O PRO A 34 -11.196 -1.597 -6.551 1.00 0.00 O ATOM 565 CB PRO A 34 -12.782 1.070 -7.605 1.00 0.00 C ATOM 566 CG PRO A 34 -12.235 0.880 -9.011 1.00 0.00 C ATOM 567 CD PRO A 34 -10.719 0.813 -8.916 1.00 0.00 C ATOM 0 HA PRO A 34 -11.623 1.453 -5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.625 0.405 -7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.142 2.089 -7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -12.631 -0.034 -9.454 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.541 1.705 -9.654 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.334 -0.104 -9.362 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -10.252 1.644 -9.444 1.00 0.00 H new ATOM 575 N PRO A 35 -12.448 -0.671 -4.868 1.00 0.00 N ATOM 576 CA PRO A 35 -12.630 -1.922 -4.151 1.00 0.00 C ATOM 577 C PRO A 35 -13.651 -2.816 -4.858 1.00 0.00 C ATOM 578 O PRO A 35 -14.636 -2.326 -5.407 1.00 0.00 O ATOM 579 CB PRO A 35 -13.066 -1.514 -2.753 1.00 0.00 C ATOM 580 CG PRO A 35 -13.560 -0.082 -2.872 1.00 0.00 C ATOM 581 CD PRO A 35 -13.099 0.460 -4.215 1.00 0.00 C ATOM 0 HA PRO A 35 -11.720 -2.520 -4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.854 -2.170 -2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.237 -1.584 -2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.647 -0.046 -2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.165 0.527 -2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.940 0.827 -4.804 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.410 1.295 -4.089 1.00 0.00 H new ATOM 589 N PRO A 36 -13.372 -4.147 -4.821 1.00 0.00 N ATOM 590 CA PRO A 36 -14.254 -5.114 -5.452 1.00 0.00 C ATOM 591 C PRO A 36 -15.523 -5.321 -4.623 1.00 0.00 C ATOM 592 O PRO A 36 -15.545 -5.023 -3.430 1.00 0.00 O ATOM 593 CB PRO A 36 -13.420 -6.377 -5.587 1.00 0.00 C ATOM 594 CG PRO A 36 -12.263 -6.220 -4.614 1.00 0.00 C ATOM 595 CD PRO A 36 -12.214 -4.764 -4.180 1.00 0.00 C ATOM 0 HA PRO A 36 -14.613 -4.783 -6.427 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.011 -7.262 -5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.058 -6.498 -6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.399 -6.871 -3.751 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.324 -6.509 -5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.266 -4.672 -3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.286 -4.288 -4.496 1.00 0.00 H new ATOM 603 N PRO A 37 -16.576 -5.845 -5.305 1.00 0.00 N ATOM 604 CA PRO A 37 -17.846 -6.095 -4.644 1.00 0.00 C ATOM 605 C PRO A 37 -17.764 -7.335 -3.752 1.00 0.00 C ATOM 606 O PRO A 37 -17.336 -8.399 -4.198 1.00 0.00 O ATOM 607 CB PRO A 37 -18.854 -6.241 -5.772 1.00 0.00 C ATOM 608 CG PRO A 37 -18.041 -6.529 -7.024 1.00 0.00 C ATOM 609 CD PRO A 37 -16.587 -6.210 -6.719 1.00 0.00 C ATOM 0 HA PRO A 37 -18.136 -5.289 -3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -19.555 -7.050 -5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -19.443 -5.331 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.149 -7.573 -7.318 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.398 -5.925 -7.858 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -15.944 -7.069 -6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.222 -5.393 -7.342 1.00 0.00 H new ATOM 617 N GLY A 38 -18.181 -7.158 -2.507 1.00 0.00 N ATOM 618 CA GLY A 38 -18.160 -8.249 -1.548 1.00 0.00 C ATOM 619 C GLY A 38 -17.093 -8.017 -0.477 1.00 0.00 C ATOM 620 O GLY A 38 -17.232 -8.479 0.655 1.00 0.00 O ATOM 0 H GLY A 38 -18.536 -6.275 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.139 -8.343 -1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.963 -9.188 -2.065 1.00 0.00 H new ATOM 624 N VAL A 39 -16.050 -7.301 -0.872 1.00 0.00 N ATOM 625 CA VAL A 39 -14.959 -7.003 0.040 1.00 0.00 C ATOM 626 C VAL A 39 -15.462 -6.067 1.142 1.00 0.00 C ATOM 627 O VAL A 39 -15.982 -4.990 0.857 1.00 0.00 O ATOM 628 CB VAL A 39 -13.771 -6.429 -0.735 1.00 0.00 C ATOM 629 CG1 VAL A 39 -12.797 -5.714 0.204 1.00 0.00 C ATOM 630 CG2 VAL A 39 -13.059 -7.521 -1.536 1.00 0.00 C ATOM 0 H VAL A 39 -15.938 -6.919 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 39 -14.606 -7.914 0.523 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.156 -5.693 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.962 -5.316 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.312 -4.897 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.422 -6.420 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.219 -7.086 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.693 -8.291 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -13.757 -7.965 -2.246 1.00 0.00 H new ATOM 640 N GLU A 40 -15.288 -6.514 2.377 1.00 0.00 N ATOM 641 CA GLU A 40 -15.718 -5.730 3.523 1.00 0.00 C ATOM 642 C GLU A 40 -14.554 -4.897 4.064 1.00 0.00 C ATOM 643 O GLU A 40 -13.586 -5.445 4.589 1.00 0.00 O ATOM 644 CB GLU A 40 -16.302 -6.629 4.614 1.00 0.00 C ATOM 645 CG GLU A 40 -17.359 -5.884 5.432 1.00 0.00 C ATOM 646 CD GLU A 40 -17.467 -6.461 6.845 1.00 0.00 C ATOM 647 OE1 GLU A 40 -16.403 -6.587 7.489 1.00 0.00 O ATOM 648 OE2 GLU A 40 -18.611 -6.764 7.248 1.00 0.00 O ATOM 0 H GLU A 40 -14.856 -7.408 2.609 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.505 -5.050 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -16.746 -7.515 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.504 -6.973 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -17.103 -4.826 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -18.325 -5.953 4.933 1.00 0.00 H new ATOM 655 N LEU A 41 -14.687 -3.587 3.916 1.00 0.00 N ATOM 656 CA LEU A 41 -13.658 -2.674 4.383 1.00 0.00 C ATOM 657 C LEU A 41 -14.044 -2.140 5.763 1.00 0.00 C ATOM 658 O LEU A 41 -15.218 -1.886 6.029 1.00 0.00 O ATOM 659 CB LEU A 41 -13.406 -1.576 3.347 1.00 0.00 C ATOM 660 CG LEU A 41 -12.946 -2.048 1.967 1.00 0.00 C ATOM 661 CD1 LEU A 41 -14.008 -1.757 0.905 1.00 0.00 C ATOM 662 CD2 LEU A 41 -11.590 -1.440 1.603 1.00 0.00 C ATOM 0 H LEU A 41 -15.491 -3.136 3.480 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.708 -3.197 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.324 -1.002 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.654 -0.894 3.745 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.815 -3.129 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.655 -2.103 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.931 -2.277 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.195 -0.684 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.286 -1.792 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.670 -0.353 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.846 -1.741 2.341 1.00 0.00 H new ATOM 674 N GLU A 42 -13.034 -1.986 6.607 1.00 0.00 N ATOM 675 CA GLU A 42 -13.253 -1.487 7.954 1.00 0.00 C ATOM 676 C GLU A 42 -12.923 0.005 8.027 1.00 0.00 C ATOM 677 O GLU A 42 -12.002 0.474 7.361 1.00 0.00 O ATOM 678 CB GLU A 42 -12.433 -2.281 8.973 1.00 0.00 C ATOM 679 CG GLU A 42 -12.815 -1.896 10.404 1.00 0.00 C ATOM 680 CD GLU A 42 -13.670 -2.984 11.055 1.00 0.00 C ATOM 681 OE1 GLU A 42 -13.155 -4.118 11.169 1.00 0.00 O ATOM 682 OE2 GLU A 42 -14.819 -2.659 11.424 1.00 0.00 O ATOM 0 H GLU A 42 -12.062 -2.198 6.384 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.306 -1.619 8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.596 -3.348 8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.371 -2.096 8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.913 -1.736 10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.363 -0.954 10.397 1.00 0.00 H new ATOM 689 N ARG A 43 -13.694 0.710 8.843 1.00 0.00 N ATOM 690 CA ARG A 43 -13.495 2.139 9.013 1.00 0.00 C ATOM 691 C ARG A 43 -12.342 2.403 9.984 1.00 0.00 C ATOM 692 O ARG A 43 -12.145 1.652 10.937 1.00 0.00 O ATOM 693 CB ARG A 43 -14.763 2.813 9.541 1.00 0.00 C ATOM 694 CG ARG A 43 -14.458 4.215 10.071 1.00 0.00 C ATOM 695 CD ARG A 43 -15.655 5.148 9.873 1.00 0.00 C ATOM 696 NE ARG A 43 -16.691 4.865 10.892 1.00 0.00 N ATOM 697 CZ ARG A 43 -17.751 4.073 10.684 1.00 0.00 C ATOM 698 NH1 ARG A 43 -17.923 3.481 9.495 1.00 0.00 N ATOM 699 NH2 ARG A 43 -18.641 3.874 11.667 1.00 0.00 N ATOM 0 H ARG A 43 -14.458 0.317 9.394 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.255 2.559 8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.505 2.875 8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.198 2.207 10.336 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.206 4.161 11.130 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.587 4.621 9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.333 6.187 9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.070 5.014 8.874 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.591 5.300 11.809 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.246 3.633 8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.730 2.878 9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.511 4.326 12.572 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.449 3.271 11.510 1.00 0.00 H new ATOM 713 N VAL A 44 -11.611 3.473 9.708 1.00 0.00 N ATOM 714 CA VAL A 44 -10.484 3.846 10.545 1.00 0.00 C ATOM 715 C VAL A 44 -10.881 5.029 11.431 1.00 0.00 C ATOM 716 O VAL A 44 -10.769 6.182 11.019 1.00 0.00 O ATOM 717 CB VAL A 44 -9.259 4.135 9.675 1.00 0.00 C ATOM 718 CG1 VAL A 44 -8.065 4.559 10.533 1.00 0.00 C ATOM 719 CG2 VAL A 44 -8.907 2.927 8.804 1.00 0.00 C ATOM 0 H VAL A 44 -11.778 4.094 8.916 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.210 3.023 11.205 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.507 4.964 9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.208 4.758 9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.319 5.461 11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.817 3.760 11.231 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.033 3.159 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.688 2.070 9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.749 2.690 8.154 1.00 0.00 H new ATOM 729 N HIS A 45 -11.337 4.701 12.631 1.00 0.00 N ATOM 730 CA HIS A 45 -11.751 5.722 13.578 1.00 0.00 C ATOM 731 C HIS A 45 -10.557 6.615 13.925 1.00 0.00 C ATOM 732 O HIS A 45 -10.720 7.811 14.160 1.00 0.00 O ATOM 733 CB HIS A 45 -12.396 5.089 14.812 1.00 0.00 C ATOM 734 CG HIS A 45 -13.905 5.055 14.767 1.00 0.00 C ATOM 735 ND1 HIS A 45 -14.611 4.370 13.794 1.00 0.00 N ATOM 736 CD2 HIS A 45 -14.834 5.629 15.585 1.00 0.00 C ATOM 737 CE1 HIS A 45 -15.906 4.531 14.025 1.00 0.00 C ATOM 738 NE2 HIS A 45 -16.042 5.312 15.135 1.00 0.00 N ATOM 0 H HIS A 45 -11.429 3.743 12.969 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.514 6.355 13.125 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.023 4.071 14.922 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.081 5.641 15.697 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -14.622 6.238 16.452 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.712 4.117 13.438 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -16.926 5.604 15.551 1.00 0.00 H new ATOM 746 N GLU A 46 -9.385 5.998 13.947 1.00 0.00 N ATOM 747 CA GLU A 46 -8.165 6.721 14.261 1.00 0.00 C ATOM 748 C GLU A 46 -8.054 7.978 13.396 1.00 0.00 C ATOM 749 O GLU A 46 -7.631 9.030 13.873 1.00 0.00 O ATOM 750 CB GLU A 46 -6.936 5.826 14.088 1.00 0.00 C ATOM 751 CG GLU A 46 -6.004 5.933 15.296 1.00 0.00 C ATOM 752 CD GLU A 46 -5.670 4.549 15.855 1.00 0.00 C ATOM 753 OE1 GLU A 46 -6.597 3.712 15.890 1.00 0.00 O ATOM 754 OE2 GLU A 46 -4.494 4.359 16.235 1.00 0.00 O ATOM 0 H GLU A 46 -9.255 5.005 13.752 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.207 7.026 15.307 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.251 4.791 13.958 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.399 6.111 13.184 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.085 6.444 15.007 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.475 6.538 16.071 1.00 0.00 H new ATOM 761 N CYS A 47 -8.442 7.827 12.138 1.00 0.00 N ATOM 762 CA CYS A 47 -8.392 8.936 11.201 1.00 0.00 C ATOM 763 C CYS A 47 -9.710 9.708 11.299 1.00 0.00 C ATOM 764 O CYS A 47 -10.750 9.130 11.610 1.00 0.00 O ATOM 765 CB CYS A 47 -8.115 8.460 9.774 1.00 0.00 C ATOM 766 SG CYS A 47 -7.291 9.786 8.820 1.00 0.00 S ATOM 0 H CYS A 47 -8.792 6.953 11.746 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.565 9.596 11.460 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.485 7.571 9.794 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.049 8.178 9.288 1.00 0.00 H new ATOM 0 HG CYS A 47 -7.059 9.370 7.610 1.00 0.00 H new ATOM 772 N GLN A 48 -9.622 11.002 11.028 1.00 0.00 N ATOM 773 CA GLN A 48 -10.795 11.858 11.082 1.00 0.00 C ATOM 774 C GLN A 48 -11.465 11.928 9.708 1.00 0.00 C ATOM 775 O GLN A 48 -12.082 12.935 9.365 1.00 0.00 O ATOM 776 CB GLN A 48 -10.430 13.256 11.585 1.00 0.00 C ATOM 777 CG GLN A 48 -9.735 14.069 10.490 1.00 0.00 C ATOM 778 CD GLN A 48 -8.345 14.522 10.942 1.00 0.00 C ATOM 779 OE1 GLN A 48 -7.347 13.854 10.730 1.00 0.00 O ATOM 780 NE2 GLN A 48 -8.337 15.692 11.575 1.00 0.00 N ATOM 0 H GLN A 48 -8.757 11.478 10.771 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.504 11.426 11.789 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.331 13.775 11.912 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.776 13.175 12.453 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.649 13.468 9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.341 14.939 10.238 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.210 16.200 11.719 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.458 16.081 11.916 1.00 0.00 H new ATOM 789 N THR A 49 -11.322 10.844 8.960 1.00 0.00 N ATOM 790 CA THR A 49 -11.906 10.769 7.632 1.00 0.00 C ATOM 791 C THR A 49 -12.557 9.402 7.412 1.00 0.00 C ATOM 792 O THR A 49 -12.185 8.422 8.056 1.00 0.00 O ATOM 793 CB THR A 49 -10.810 11.090 6.614 1.00 0.00 C ATOM 794 OG1 THR A 49 -9.895 10.004 6.735 1.00 0.00 O ATOM 795 CG2 THR A 49 -9.985 12.317 7.009 1.00 0.00 C ATOM 0 H THR A 49 -10.810 10.010 9.249 1.00 0.00 H new ATOM 0 HA THR A 49 -12.706 11.499 7.511 1.00 0.00 H new ATOM 0 HB THR A 49 -11.261 11.255 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.230 10.212 7.425 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.222 12.501 6.253 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.638 13.186 7.084 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.507 12.139 7.972 1.00 0.00 H new ATOM 803 N PRO A 50 -13.544 9.379 6.477 1.00 0.00 N ATOM 804 CA PRO A 50 -14.251 8.149 6.164 1.00 0.00 C ATOM 805 C PRO A 50 -13.381 7.216 5.318 1.00 0.00 C ATOM 806 O PRO A 50 -13.742 6.876 4.193 1.00 0.00 O ATOM 807 CB PRO A 50 -15.516 8.593 5.447 1.00 0.00 C ATOM 808 CG PRO A 50 -15.250 10.013 4.974 1.00 0.00 C ATOM 809 CD PRO A 50 -14.012 10.520 5.695 1.00 0.00 C ATOM 0 HA PRO A 50 -14.496 7.568 7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.739 7.937 4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -16.376 8.559 6.115 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.099 10.034 3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.106 10.653 5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.252 10.854 4.989 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.247 11.369 6.336 1.00 0.00 H new ATOM 817 N PHE A 51 -12.251 6.830 5.893 1.00 0.00 N ATOM 818 CA PHE A 51 -11.327 5.944 5.207 1.00 0.00 C ATOM 819 C PHE A 51 -11.636 4.479 5.522 1.00 0.00 C ATOM 820 O PHE A 51 -12.186 4.170 6.578 1.00 0.00 O ATOM 821 CB PHE A 51 -9.924 6.279 5.717 1.00 0.00 C ATOM 822 CG PHE A 51 -8.796 5.688 4.869 1.00 0.00 C ATOM 823 CD1 PHE A 51 -8.802 5.855 3.519 1.00 0.00 C ATOM 824 CD2 PHE A 51 -7.787 4.997 5.464 1.00 0.00 C ATOM 825 CE1 PHE A 51 -7.755 5.307 2.732 1.00 0.00 C ATOM 826 CE2 PHE A 51 -6.740 4.449 4.677 1.00 0.00 C ATOM 827 CZ PHE A 51 -6.746 4.616 3.327 1.00 0.00 C ATOM 0 H PHE A 51 -11.955 7.115 6.827 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.411 6.081 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.810 7.362 5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -9.824 5.916 6.740 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.603 6.404 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.782 4.865 6.536 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.760 5.439 1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.939 3.900 5.150 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.950 4.200 2.728 1.00 0.00 H new ATOM 837 N PHE A 52 -11.268 3.616 4.587 1.00 0.00 N ATOM 838 CA PHE A 52 -11.499 2.191 4.752 1.00 0.00 C ATOM 839 C PHE A 52 -10.441 1.374 4.006 1.00 0.00 C ATOM 840 O PHE A 52 -10.119 1.671 2.857 1.00 0.00 O ATOM 841 CB PHE A 52 -12.874 1.888 4.154 1.00 0.00 C ATOM 842 CG PHE A 52 -13.953 2.906 4.529 1.00 0.00 C ATOM 843 CD1 PHE A 52 -14.596 2.807 5.723 1.00 0.00 C ATOM 844 CD2 PHE A 52 -14.270 3.910 3.667 1.00 0.00 C ATOM 845 CE1 PHE A 52 -15.597 3.752 6.071 1.00 0.00 C ATOM 846 CE2 PHE A 52 -15.271 4.855 4.015 1.00 0.00 C ATOM 847 CZ PHE A 52 -15.913 4.756 5.210 1.00 0.00 C ATOM 0 H PHE A 52 -10.812 3.876 3.713 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.447 1.926 5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.786 1.850 3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.192 0.899 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.345 2.009 6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.760 3.988 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -16.107 3.673 7.020 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -15.523 5.652 3.331 1.00 0.00 H new ATOM 0 HZ PHE A 52 -16.674 5.475 5.475 1.00 0.00 H new ATOM 857 N VAL A 53 -9.930 0.361 4.691 1.00 0.00 N ATOM 858 CA VAL A 53 -8.916 -0.500 4.108 1.00 0.00 C ATOM 859 C VAL A 53 -9.259 -1.961 4.408 1.00 0.00 C ATOM 860 O VAL A 53 -9.945 -2.252 5.386 1.00 0.00 O ATOM 861 CB VAL A 53 -7.530 -0.095 4.616 1.00 0.00 C ATOM 862 CG1 VAL A 53 -7.340 -0.507 6.077 1.00 0.00 C ATOM 863 CG2 VAL A 53 -6.429 -0.683 3.732 1.00 0.00 C ATOM 0 H VAL A 53 -10.200 0.118 5.644 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.896 -0.387 3.024 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.457 0.991 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.347 -0.208 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.095 -0.019 6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.443 -1.588 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.454 -0.380 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.499 -1.771 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.548 -0.318 2.712 1.00 0.00 H new ATOM 873 N HIS A 54 -8.767 -2.840 3.548 1.00 0.00 N ATOM 874 CA HIS A 54 -9.013 -4.263 3.708 1.00 0.00 C ATOM 875 C HIS A 54 -7.854 -5.056 3.101 1.00 0.00 C ATOM 876 O HIS A 54 -7.509 -4.864 1.936 1.00 0.00 O ATOM 877 CB HIS A 54 -10.370 -4.649 3.118 1.00 0.00 C ATOM 878 CG HIS A 54 -10.592 -6.139 3.014 1.00 0.00 C ATOM 879 ND1 HIS A 54 -11.741 -6.760 3.474 1.00 0.00 N ATOM 880 CD2 HIS A 54 -9.803 -7.124 2.497 1.00 0.00 C ATOM 881 CE1 HIS A 54 -11.636 -8.060 3.240 1.00 0.00 C ATOM 882 NE2 HIS A 54 -10.434 -8.284 2.635 1.00 0.00 N ATOM 0 H HIS A 54 -8.199 -2.594 2.737 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.060 -4.511 4.768 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.159 -4.216 3.733 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.462 -4.208 2.125 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -12.533 -6.296 3.918 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.829 -6.984 2.051 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.373 -8.811 3.485 1.00 0.00 H new ATOM 890 N ALA A 55 -7.285 -5.930 3.917 1.00 0.00 N ATOM 891 CA ALA A 55 -6.172 -6.754 3.475 1.00 0.00 C ATOM 892 C ALA A 55 -6.595 -8.224 3.486 1.00 0.00 C ATOM 893 O ALA A 55 -7.303 -8.664 4.391 1.00 0.00 O ATOM 894 CB ALA A 55 -4.957 -6.490 4.366 1.00 0.00 C ATOM 0 H ALA A 55 -7.574 -6.086 4.883 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.889 -6.501 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.122 -7.108 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.679 -5.438 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.203 -6.736 5.399 1.00 0.00 H new ATOM 900 N ASP A 56 -6.145 -8.943 2.468 1.00 0.00 N ATOM 901 CA ASP A 56 -6.468 -10.355 2.349 1.00 0.00 C ATOM 902 C ASP A 56 -5.312 -11.082 1.659 1.00 0.00 C ATOM 903 O ASP A 56 -4.422 -10.446 1.096 1.00 0.00 O ATOM 904 CB ASP A 56 -7.727 -10.563 1.506 1.00 0.00 C ATOM 905 CG ASP A 56 -9.023 -10.717 2.306 1.00 0.00 C ATOM 906 OD1 ASP A 56 -8.975 -10.434 3.523 1.00 0.00 O ATOM 907 OD2 ASP A 56 -10.031 -11.113 1.683 1.00 0.00 O ATOM 0 H ASP A 56 -5.560 -8.574 1.718 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.636 -10.748 3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.835 -9.717 0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.591 -11.451 0.889 1.00 0.00 H new ATOM 912 N VAL A 57 -5.363 -12.404 1.724 1.00 0.00 N ATOM 913 CA VAL A 57 -4.331 -13.224 1.112 1.00 0.00 C ATOM 914 C VAL A 57 -4.938 -14.022 -0.043 1.00 0.00 C ATOM 915 O VAL A 57 -5.586 -15.044 0.177 1.00 0.00 O ATOM 916 CB VAL A 57 -3.672 -14.112 2.170 1.00 0.00 C ATOM 917 CG1 VAL A 57 -2.575 -14.981 1.551 1.00 0.00 C ATOM 918 CG2 VAL A 57 -3.120 -13.272 3.324 1.00 0.00 C ATOM 0 H VAL A 57 -6.103 -12.928 2.191 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.543 -12.597 0.696 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.437 -14.775 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.123 -15.602 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.008 -15.619 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.812 -14.342 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.657 -13.927 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.376 -12.573 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.933 -12.717 3.791 1.00 0.00 H new ATOM 928 N GLU A 58 -4.707 -13.525 -1.249 1.00 0.00 N ATOM 929 CA GLU A 58 -5.223 -14.179 -2.440 1.00 0.00 C ATOM 930 C GLU A 58 -4.116 -14.981 -3.127 1.00 0.00 C ATOM 931 O GLU A 58 -3.261 -14.412 -3.804 1.00 0.00 O ATOM 932 CB GLU A 58 -5.840 -13.160 -3.401 1.00 0.00 C ATOM 933 CG GLU A 58 -7.255 -12.779 -2.962 1.00 0.00 C ATOM 934 CD GLU A 58 -8.134 -12.449 -4.170 1.00 0.00 C ATOM 935 OE1 GLU A 58 -7.596 -11.825 -5.110 1.00 0.00 O ATOM 936 OE2 GLU A 58 -9.324 -12.828 -4.126 1.00 0.00 O ATOM 0 H GLU A 58 -4.169 -12.677 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.011 -14.869 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.215 -12.268 -3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.867 -13.575 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.698 -13.600 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.213 -11.920 -2.293 1.00 0.00 H new ATOM 943 N GLY A 59 -4.168 -16.290 -2.929 1.00 0.00 N ATOM 944 CA GLY A 59 -3.180 -17.176 -3.521 1.00 0.00 C ATOM 945 C GLY A 59 -1.915 -17.238 -2.664 1.00 0.00 C ATOM 946 O GLY A 59 -1.710 -18.197 -1.922 1.00 0.00 O ATOM 0 H GLY A 59 -4.879 -16.758 -2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.601 -18.176 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.928 -16.828 -4.523 1.00 0.00 H new ATOM 950 N GLY A 60 -1.099 -16.202 -2.794 1.00 0.00 N ATOM 951 CA GLY A 60 0.141 -16.127 -2.041 1.00 0.00 C ATOM 952 C GLY A 60 0.646 -14.685 -1.959 1.00 0.00 C ATOM 953 O GLY A 60 1.843 -14.451 -1.799 1.00 0.00 O ATOM 0 H GLY A 60 -1.273 -15.408 -3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.015 -16.519 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.896 -16.754 -2.514 1.00 0.00 H new ATOM 957 N LYS A 61 -0.292 -13.756 -2.073 1.00 0.00 N ATOM 958 CA LYS A 61 0.043 -12.343 -2.014 1.00 0.00 C ATOM 959 C LYS A 61 -0.937 -11.629 -1.081 1.00 0.00 C ATOM 960 O LYS A 61 -1.867 -12.246 -0.562 1.00 0.00 O ATOM 961 CB LYS A 61 0.098 -11.746 -3.421 1.00 0.00 C ATOM 962 CG LYS A 61 0.984 -12.590 -4.341 1.00 0.00 C ATOM 963 CD LYS A 61 0.847 -12.141 -5.797 1.00 0.00 C ATOM 964 CE LYS A 61 1.258 -13.259 -6.756 1.00 0.00 C ATOM 965 NZ LYS A 61 2.384 -12.821 -7.611 1.00 0.00 N ATOM 0 H LYS A 61 -1.284 -13.954 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 61 1.040 -12.205 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.909 -11.687 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.484 -10.728 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.024 -12.506 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.708 -13.641 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.184 -11.847 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.468 -11.262 -5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.547 -14.144 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.409 -13.542 -7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.650 -13.592 -8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.096 -11.990 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.198 -12.573 -7.013 1.00 0.00 H new ATOM 979 N VAL A 62 -0.696 -10.340 -0.895 1.00 0.00 N ATOM 980 CA VAL A 62 -1.546 -9.536 -0.034 1.00 0.00 C ATOM 981 C VAL A 62 -2.357 -8.561 -0.891 1.00 0.00 C ATOM 982 O VAL A 62 -1.795 -7.664 -1.517 1.00 0.00 O ATOM 983 CB VAL A 62 -0.699 -8.834 1.030 1.00 0.00 C ATOM 984 CG1 VAL A 62 -1.533 -7.816 1.811 1.00 0.00 C ATOM 985 CG2 VAL A 62 -0.051 -9.850 1.972 1.00 0.00 C ATOM 0 H VAL A 62 0.076 -9.832 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.256 -10.168 0.499 1.00 0.00 H new ATOM 0 HB VAL A 62 0.098 -8.293 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.907 -7.332 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.926 -7.065 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.361 -8.326 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.545 -9.325 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.827 -10.431 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.591 -10.519 1.399 1.00 0.00 H new ATOM 995 N ARG A 63 -3.665 -8.771 -0.891 1.00 0.00 N ATOM 996 CA ARG A 63 -4.559 -7.922 -1.660 1.00 0.00 C ATOM 997 C ARG A 63 -4.948 -6.686 -0.847 1.00 0.00 C ATOM 998 O ARG A 63 -5.577 -6.803 0.203 1.00 0.00 O ATOM 999 CB ARG A 63 -5.826 -8.679 -2.063 1.00 0.00 C ATOM 1000 CG ARG A 63 -5.593 -9.504 -3.331 1.00 0.00 C ATOM 1001 CD ARG A 63 -5.408 -8.596 -4.549 1.00 0.00 C ATOM 1002 NE ARG A 63 -5.489 -9.395 -5.792 1.00 0.00 N ATOM 1003 CZ ARG A 63 -4.974 -9.010 -6.967 1.00 0.00 C ATOM 1004 NH1 ARG A 63 -4.338 -7.835 -7.067 1.00 0.00 N ATOM 1005 NH2 ARG A 63 -5.095 -9.800 -8.043 1.00 0.00 N ATOM 0 H ARG A 63 -4.127 -9.517 -0.371 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.030 -7.615 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.136 -9.335 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.639 -7.972 -2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.711 -10.132 -3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.439 -10.172 -3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.174 -7.821 -4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.444 -8.091 -4.494 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.967 -10.295 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.246 -7.234 -6.248 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.946 -7.542 -7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.579 -10.694 -7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.703 -9.507 -8.938 1.00 0.00 H new ATOM 1019 N LEU A 64 -4.558 -5.530 -1.364 1.00 0.00 N ATOM 1020 CA LEU A 64 -4.858 -4.274 -0.699 1.00 0.00 C ATOM 1021 C LEU A 64 -6.109 -3.656 -1.326 1.00 0.00 C ATOM 1022 O LEU A 64 -6.298 -3.724 -2.540 1.00 0.00 O ATOM 1023 CB LEU A 64 -3.639 -3.350 -0.722 1.00 0.00 C ATOM 1024 CG LEU A 64 -2.568 -3.627 0.335 1.00 0.00 C ATOM 1025 CD1 LEU A 64 -1.284 -2.853 0.031 1.00 0.00 C ATOM 1026 CD2 LEU A 64 -3.096 -3.331 1.741 1.00 0.00 C ATOM 0 H LEU A 64 -4.037 -5.437 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.079 -4.445 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.176 -3.417 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.984 -2.323 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.320 -4.688 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.539 -3.068 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.899 -3.155 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.497 -1.784 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.315 -3.536 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.389 -2.283 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.960 -3.963 1.946 1.00 0.00 H new ATOM 1038 N TYR A 65 -6.932 -3.066 -0.471 1.00 0.00 N ATOM 1039 CA TYR A 65 -8.160 -2.437 -0.927 1.00 0.00 C ATOM 1040 C TYR A 65 -8.501 -1.217 -0.069 1.00 0.00 C ATOM 1041 O TYR A 65 -8.688 -1.336 1.140 1.00 0.00 O ATOM 1042 CB TYR A 65 -9.260 -3.487 -0.759 1.00 0.00 C ATOM 1043 CG TYR A 65 -9.048 -4.749 -1.597 1.00 0.00 C ATOM 1044 CD1 TYR A 65 -8.808 -4.646 -2.952 1.00 0.00 C ATOM 1045 CD2 TYR A 65 -9.097 -5.992 -0.998 1.00 0.00 C ATOM 1046 CE1 TYR A 65 -8.608 -5.834 -3.741 1.00 0.00 C ATOM 1047 CE2 TYR A 65 -8.897 -7.180 -1.786 1.00 0.00 C ATOM 1048 CZ TYR A 65 -8.663 -7.042 -3.119 1.00 0.00 C ATOM 1049 OH TYR A 65 -8.475 -8.165 -3.864 1.00 0.00 O ATOM 0 H TYR A 65 -6.772 -3.010 0.535 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.059 -2.100 -1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.323 -3.768 0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.218 -3.041 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.770 -3.674 -3.421 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.285 -6.073 0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.419 -5.767 -4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.932 -8.158 -1.330 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.540 -8.955 -3.287 1.00 0.00 H new ATOM 1059 N PHE A 66 -8.572 -0.070 -0.730 1.00 0.00 N ATOM 1060 CA PHE A 66 -8.888 1.171 -0.044 1.00 0.00 C ATOM 1061 C PHE A 66 -10.166 1.798 -0.604 1.00 0.00 C ATOM 1062 O PHE A 66 -10.590 1.468 -1.711 1.00 0.00 O ATOM 1063 CB PHE A 66 -7.717 2.126 -0.285 1.00 0.00 C ATOM 1064 CG PHE A 66 -6.370 1.595 0.209 1.00 0.00 C ATOM 1065 CD1 PHE A 66 -5.972 1.834 1.487 1.00 0.00 C ATOM 1066 CD2 PHE A 66 -5.570 0.885 -0.630 1.00 0.00 C ATOM 1067 CE1 PHE A 66 -4.721 1.342 1.946 1.00 0.00 C ATOM 1068 CE2 PHE A 66 -4.319 0.392 -0.172 1.00 0.00 C ATOM 1069 CZ PHE A 66 -3.921 0.631 1.107 1.00 0.00 C ATOM 0 H PHE A 66 -8.416 0.025 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.045 0.979 1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.645 2.334 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.926 3.074 0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.607 2.398 2.154 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.886 0.696 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.405 1.533 2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.684 -0.172 -0.839 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.970 0.256 1.456 1.00 0.00 H new ATOM 1079 N HIS A 67 -10.744 2.691 0.185 1.00 0.00 N ATOM 1080 CA HIS A 67 -11.965 3.367 -0.219 1.00 0.00 C ATOM 1081 C HIS A 67 -11.965 4.797 0.327 1.00 0.00 C ATOM 1082 O HIS A 67 -11.981 5.003 1.540 1.00 0.00 O ATOM 1083 CB HIS A 67 -13.197 2.569 0.213 1.00 0.00 C ATOM 1084 CG HIS A 67 -14.492 3.067 -0.383 1.00 0.00 C ATOM 1085 ND1 HIS A 67 -14.777 4.413 -0.537 1.00 0.00 N ATOM 1086 CD2 HIS A 67 -15.573 2.387 -0.860 1.00 0.00 C ATOM 1087 CE1 HIS A 67 -15.979 4.525 -1.084 1.00 0.00 C ATOM 1088 NE2 HIS A 67 -16.471 3.269 -1.283 1.00 0.00 N ATOM 0 H HIS A 67 -10.390 2.962 1.102 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.007 3.429 -1.306 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.058 1.525 -0.068 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.274 2.599 1.300 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.681 1.313 -0.889 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.481 5.449 -1.329 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.379 3.044 -1.690 1.00 0.00 H new ATOM 1096 N VAL A 68 -11.946 5.748 -0.595 1.00 0.00 N ATOM 1097 CA VAL A 68 -11.943 7.152 -0.222 1.00 0.00 C ATOM 1098 C VAL A 68 -13.120 7.858 -0.899 1.00 0.00 C ATOM 1099 O VAL A 68 -13.046 8.206 -2.076 1.00 0.00 O ATOM 1100 CB VAL A 68 -10.591 7.782 -0.565 1.00 0.00 C ATOM 1101 CG1 VAL A 68 -10.570 9.268 -0.200 1.00 0.00 C ATOM 1102 CG2 VAL A 68 -9.448 7.032 0.122 1.00 0.00 C ATOM 0 H VAL A 68 -11.933 5.574 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.074 7.261 0.855 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.446 7.700 -1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.598 9.691 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.349 9.790 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.747 9.383 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.498 7.499 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.587 7.068 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.444 5.993 -0.209 1.00 0.00 H new ATOM 1112 N PRO A 69 -14.207 8.053 -0.105 1.00 0.00 N ATOM 1113 CA PRO A 69 -15.398 8.711 -0.615 1.00 0.00 C ATOM 1114 C PRO A 69 -15.178 10.220 -0.744 1.00 0.00 C ATOM 1115 O PRO A 69 -15.354 10.786 -1.822 1.00 0.00 O ATOM 1116 CB PRO A 69 -16.497 8.353 0.371 1.00 0.00 C ATOM 1117 CG PRO A 69 -15.790 7.900 1.638 1.00 0.00 C ATOM 1118 CD PRO A 69 -14.330 7.655 1.294 1.00 0.00 C ATOM 0 HA PRO A 69 -15.662 8.384 -1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.139 9.211 0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.134 7.562 -0.025 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.877 8.659 2.416 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -16.248 6.991 2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.669 8.242 1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -14.061 6.608 1.433 1.00 0.00 H new ATOM 1126 N ASP A 70 -14.796 10.827 0.369 1.00 0.00 N ATOM 1127 CA ASP A 70 -14.551 12.259 0.394 1.00 0.00 C ATOM 1128 C ASP A 70 -13.492 12.609 -0.654 1.00 0.00 C ATOM 1129 O ASP A 70 -13.311 13.777 -0.992 1.00 0.00 O ATOM 1130 CB ASP A 70 -14.028 12.705 1.761 1.00 0.00 C ATOM 1131 CG ASP A 70 -14.394 14.137 2.158 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -13.767 15.060 1.595 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -15.293 14.276 3.015 1.00 0.00 O ATOM 0 H ASP A 70 -14.650 10.354 1.261 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.493 12.766 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.413 12.024 2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.942 12.609 1.767 1.00 0.00 H new ATOM 1138 N GLU A 71 -12.820 11.575 -1.138 1.00 0.00 N ATOM 1139 CA GLU A 71 -11.784 11.758 -2.140 1.00 0.00 C ATOM 1140 C GLU A 71 -10.537 12.378 -1.507 1.00 0.00 C ATOM 1141 O GLU A 71 -9.683 12.917 -2.209 1.00 0.00 O ATOM 1142 CB GLU A 71 -12.291 12.612 -3.303 1.00 0.00 C ATOM 1143 CG GLU A 71 -12.422 11.779 -4.580 1.00 0.00 C ATOM 1144 CD GLU A 71 -12.437 12.675 -5.820 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -13.375 13.495 -5.917 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -11.509 12.520 -6.643 1.00 0.00 O ATOM 0 H GLU A 71 -12.973 10.607 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.516 10.780 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.258 13.045 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.606 13.442 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.593 11.075 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.338 11.190 -4.542 1.00 0.00 H new ATOM 1153 N ALA A 72 -10.471 12.280 -0.187 1.00 0.00 N ATOM 1154 CA ALA A 72 -9.343 12.825 0.548 1.00 0.00 C ATOM 1155 C ALA A 72 -8.041 12.332 -0.085 1.00 0.00 C ATOM 1156 O ALA A 72 -7.796 11.128 -0.152 1.00 0.00 O ATOM 1157 CB ALA A 72 -9.458 12.435 2.023 1.00 0.00 C ATOM 0 H ALA A 72 -11.181 11.831 0.392 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.342 13.914 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.611 12.844 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.386 12.834 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.459 11.349 2.113 1.00 0.00 H new ATOM 1163 N PRO A 73 -7.218 13.312 -0.546 1.00 0.00 N ATOM 1164 CA PRO A 73 -5.947 12.989 -1.171 1.00 0.00 C ATOM 1165 C PRO A 73 -4.913 12.565 -0.126 1.00 0.00 C ATOM 1166 O PRO A 73 -4.275 11.522 -0.266 1.00 0.00 O ATOM 1167 CB PRO A 73 -5.548 14.248 -1.924 1.00 0.00 C ATOM 1168 CG PRO A 73 -6.369 15.374 -1.317 1.00 0.00 C ATOM 1169 CD PRO A 73 -7.475 14.747 -0.483 1.00 0.00 C ATOM 0 HA PRO A 73 -6.017 12.139 -1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.481 14.443 -1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.752 14.147 -2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.740 16.014 -0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.792 16.003 -2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.450 15.109 0.545 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.459 14.991 -0.883 1.00 0.00 H new ATOM 1177 N THR A 74 -4.780 13.394 0.899 1.00 0.00 N ATOM 1178 CA THR A 74 -3.834 13.118 1.967 1.00 0.00 C ATOM 1179 C THR A 74 -3.908 11.645 2.377 1.00 0.00 C ATOM 1180 O THR A 74 -2.911 11.065 2.803 1.00 0.00 O ATOM 1181 CB THR A 74 -4.125 14.084 3.117 1.00 0.00 C ATOM 1182 OG1 THR A 74 -5.541 14.024 3.271 1.00 0.00 O ATOM 1183 CG2 THR A 74 -3.853 15.542 2.741 1.00 0.00 C ATOM 0 H THR A 74 -5.312 14.257 1.013 1.00 0.00 H new ATOM 0 HA THR A 74 -2.807 13.281 1.639 1.00 0.00 H new ATOM 0 HB THR A 74 -3.518 13.813 3.981 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.889 14.923 3.448 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.076 16.185 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.805 15.657 2.464 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.484 15.824 1.898 1.00 0.00 H new ATOM 1191 N VAL A 75 -5.099 11.083 2.233 1.00 0.00 N ATOM 1192 CA VAL A 75 -5.316 9.690 2.583 1.00 0.00 C ATOM 1193 C VAL A 75 -5.131 8.821 1.337 1.00 0.00 C ATOM 1194 O VAL A 75 -4.690 7.677 1.434 1.00 0.00 O ATOM 1195 CB VAL A 75 -6.692 9.521 3.231 1.00 0.00 C ATOM 1196 CG1 VAL A 75 -6.999 8.044 3.488 1.00 0.00 C ATOM 1197 CG2 VAL A 75 -6.794 10.335 4.522 1.00 0.00 C ATOM 0 H VAL A 75 -5.924 11.567 1.879 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.582 9.363 3.320 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.439 9.902 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.982 7.952 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.989 7.500 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.245 7.626 4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.782 10.197 4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.033 9.998 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.640 11.391 4.299 1.00 0.00 H new ATOM 1207 N LYS A 76 -5.478 9.398 0.196 1.00 0.00 N ATOM 1208 CA LYS A 76 -5.355 8.690 -1.067 1.00 0.00 C ATOM 1209 C LYS A 76 -3.882 8.372 -1.328 1.00 0.00 C ATOM 1210 O LYS A 76 -3.506 7.206 -1.440 1.00 0.00 O ATOM 1211 CB LYS A 76 -6.021 9.485 -2.193 1.00 0.00 C ATOM 1212 CG LYS A 76 -6.848 8.568 -3.096 1.00 0.00 C ATOM 1213 CD LYS A 76 -7.777 7.676 -2.269 1.00 0.00 C ATOM 1214 CE LYS A 76 -7.339 6.212 -2.343 1.00 0.00 C ATOM 1215 NZ LYS A 76 -8.503 5.336 -2.605 1.00 0.00 N ATOM 0 H LYS A 76 -5.844 10.347 0.120 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.884 7.738 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.662 10.257 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.259 9.993 -2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.437 9.169 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.183 7.948 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.776 8.008 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.800 7.772 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.598 6.087 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.861 5.921 -1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.421 4.470 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.378 5.836 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.529 5.086 -3.614 1.00 0.00 H new ATOM 1229 N ALA A 77 -3.087 9.428 -1.416 1.00 0.00 N ATOM 1230 CA ALA A 77 -1.663 9.276 -1.662 1.00 0.00 C ATOM 1231 C ALA A 77 -1.143 8.065 -0.884 1.00 0.00 C ATOM 1232 O ALA A 77 -0.683 7.091 -1.479 1.00 0.00 O ATOM 1233 CB ALA A 77 -0.938 10.568 -1.281 1.00 0.00 C ATOM 0 H ALA A 77 -3.402 10.393 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.473 9.096 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.130 10.454 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.324 11.392 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.103 10.780 -0.225 1.00 0.00 H new ATOM 1239 N PHE A 78 -1.234 8.164 0.434 1.00 0.00 N ATOM 1240 CA PHE A 78 -0.779 7.089 1.299 1.00 0.00 C ATOM 1241 C PHE A 78 -1.278 5.733 0.797 1.00 0.00 C ATOM 1242 O PHE A 78 -0.480 4.845 0.500 1.00 0.00 O ATOM 1243 CB PHE A 78 -1.365 7.354 2.687 1.00 0.00 C ATOM 1244 CG PHE A 78 -0.512 6.811 3.836 1.00 0.00 C ATOM 1245 CD1 PHE A 78 0.742 7.296 4.040 1.00 0.00 C ATOM 1246 CD2 PHE A 78 -1.008 5.844 4.653 1.00 0.00 C ATOM 1247 CE1 PHE A 78 1.534 6.793 5.106 1.00 0.00 C ATOM 1248 CE2 PHE A 78 -0.217 5.341 5.719 1.00 0.00 C ATOM 1249 CZ PHE A 78 1.038 5.826 5.923 1.00 0.00 C ATOM 0 H PHE A 78 -1.616 8.973 0.924 1.00 0.00 H new ATOM 0 HA PHE A 78 0.310 7.061 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.491 8.429 2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.358 6.908 2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.136 8.064 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.004 5.459 4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.530 7.178 5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.611 4.573 6.368 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.640 5.443 6.734 1.00 0.00 H new ATOM 1259 N ALA A 79 -2.595 5.616 0.718 1.00 0.00 N ATOM 1260 CA ALA A 79 -3.211 4.383 0.258 1.00 0.00 C ATOM 1261 C ALA A 79 -2.500 3.906 -1.011 1.00 0.00 C ATOM 1262 O ALA A 79 -2.266 2.711 -1.183 1.00 0.00 O ATOM 1263 CB ALA A 79 -4.707 4.610 0.037 1.00 0.00 C ATOM 0 H ALA A 79 -3.253 6.355 0.965 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.108 3.600 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.168 3.685 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.170 4.919 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.850 5.388 -0.713 1.00 0.00 H new ATOM 1269 N GLY A 80 -2.177 4.865 -1.866 1.00 0.00 N ATOM 1270 CA GLY A 80 -1.498 4.558 -3.113 1.00 0.00 C ATOM 1271 C GLY A 80 -0.037 4.178 -2.863 1.00 0.00 C ATOM 1272 O GLY A 80 0.564 3.453 -3.655 1.00 0.00 O ATOM 0 H GLY A 80 -2.373 5.855 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.009 3.738 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.544 5.420 -3.778 1.00 0.00 H new ATOM 1276 N LEU A 81 0.492 4.683 -1.758 1.00 0.00 N ATOM 1277 CA LEU A 81 1.871 4.405 -1.394 1.00 0.00 C ATOM 1278 C LEU A 81 1.971 2.981 -0.842 1.00 0.00 C ATOM 1279 O LEU A 81 2.857 2.222 -1.230 1.00 0.00 O ATOM 1280 CB LEU A 81 2.398 5.474 -0.435 1.00 0.00 C ATOM 1281 CG LEU A 81 3.567 5.057 0.458 1.00 0.00 C ATOM 1282 CD1 LEU A 81 4.890 5.115 -0.308 1.00 0.00 C ATOM 1283 CD2 LEU A 81 3.608 5.897 1.736 1.00 0.00 C ATOM 0 H LEU A 81 -0.009 5.283 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 81 2.514 4.453 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.706 6.340 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.576 5.797 0.204 1.00 0.00 H new ATOM 0 HG LEU A 81 3.414 4.021 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.705 4.814 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.845 4.440 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.064 6.133 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.449 5.580 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.725 6.949 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.679 5.761 2.291 1.00 0.00 H new ATOM 1295 N LEU A 82 1.049 2.663 0.056 1.00 0.00 N ATOM 1296 CA LEU A 82 1.023 1.344 0.665 1.00 0.00 C ATOM 1297 C LEU A 82 0.856 0.285 -0.427 1.00 0.00 C ATOM 1298 O LEU A 82 1.428 -0.800 -0.338 1.00 0.00 O ATOM 1299 CB LEU A 82 -0.050 1.278 1.754 1.00 0.00 C ATOM 1300 CG LEU A 82 -0.129 2.484 2.692 1.00 0.00 C ATOM 1301 CD1 LEU A 82 -1.568 2.987 2.820 1.00 0.00 C ATOM 1302 CD2 LEU A 82 0.489 2.160 4.054 1.00 0.00 C ATOM 0 H LEU A 82 0.316 3.296 0.376 1.00 0.00 H new ATOM 0 HA LEU A 82 1.968 1.138 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.020 1.153 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.125 0.386 2.355 1.00 0.00 H new ATOM 0 HG LEU A 82 0.457 3.294 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.595 3.844 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.938 3.283 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.197 2.192 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.420 3.034 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.048 1.328 4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.536 1.887 3.923 1.00 0.00 H new ATOM 1314 N ARG A 83 0.070 0.638 -1.434 1.00 0.00 N ATOM 1315 CA ARG A 83 -0.179 -0.268 -2.542 1.00 0.00 C ATOM 1316 C ARG A 83 0.979 -0.216 -3.541 1.00 0.00 C ATOM 1317 O ARG A 83 1.064 -1.049 -4.442 1.00 0.00 O ATOM 1318 CB ARG A 83 -1.481 0.089 -3.263 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.239 0.302 -4.758 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.492 0.852 -5.443 1.00 0.00 C ATOM 1321 NE ARG A 83 -3.079 -0.180 -6.328 1.00 0.00 N ATOM 1322 CZ ARG A 83 -2.660 -0.425 -7.577 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -1.649 0.285 -8.096 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.251 -1.381 -8.306 1.00 0.00 N ATOM 0 H ARG A 83 -0.403 1.539 -1.505 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.267 -1.275 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.211 -0.708 -3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.906 0.993 -2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.409 0.994 -4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.951 -0.642 -5.222 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.222 1.158 -4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.240 1.740 -6.023 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.850 -0.739 -5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.198 1.012 -7.540 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.330 0.098 -9.047 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.020 -1.922 -7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.932 -1.568 -9.257 1.00 0.00 H new ATOM 1338 N GLU A 84 1.841 0.771 -3.347 1.00 0.00 N ATOM 1339 CA GLU A 84 2.991 0.942 -4.219 1.00 0.00 C ATOM 1340 C GLU A 84 4.223 0.268 -3.612 1.00 0.00 C ATOM 1341 O GLU A 84 5.291 0.254 -4.222 1.00 0.00 O ATOM 1342 CB GLU A 84 3.255 2.424 -4.493 1.00 0.00 C ATOM 1343 CG GLU A 84 2.858 2.797 -5.923 1.00 0.00 C ATOM 1344 CD GLU A 84 3.490 1.839 -6.935 1.00 0.00 C ATOM 1345 OE1 GLU A 84 4.738 1.782 -6.960 1.00 0.00 O ATOM 1346 OE2 GLU A 84 2.709 1.185 -7.660 1.00 0.00 O ATOM 0 H GLU A 84 1.766 1.460 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 84 2.773 0.463 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.694 3.034 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.311 2.644 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.773 2.771 -6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.174 3.818 -6.137 1.00 0.00 H new ATOM 1353 N GLY A 85 4.033 -0.274 -2.418 1.00 0.00 N ATOM 1354 CA GLY A 85 5.116 -0.948 -1.722 1.00 0.00 C ATOM 1355 C GLY A 85 4.672 -2.322 -1.218 1.00 0.00 C ATOM 1356 O GLY A 85 5.467 -3.260 -1.180 1.00 0.00 O ATOM 0 H GLY A 85 3.146 -0.260 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.969 -1.060 -2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.448 -0.338 -0.882 1.00 0.00 H new ATOM 1360 N LEU A 86 3.404 -2.398 -0.842 1.00 0.00 N ATOM 1361 CA LEU A 86 2.845 -3.642 -0.342 1.00 0.00 C ATOM 1362 C LEU A 86 2.173 -4.394 -1.492 1.00 0.00 C ATOM 1363 O LEU A 86 2.616 -5.475 -1.875 1.00 0.00 O ATOM 1364 CB LEU A 86 1.915 -3.373 0.843 1.00 0.00 C ATOM 1365 CG LEU A 86 2.552 -2.689 2.054 1.00 0.00 C ATOM 1366 CD1 LEU A 86 3.161 -3.718 3.008 1.00 0.00 C ATOM 1367 CD2 LEU A 86 3.574 -1.639 1.616 1.00 0.00 C ATOM 0 H LEU A 86 2.748 -1.618 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 86 3.635 -4.287 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.086 -2.755 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.490 -4.323 1.169 1.00 0.00 H new ATOM 0 HG LEU A 86 1.768 -2.166 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.607 -3.205 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.382 -4.395 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.929 -4.289 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.012 -1.168 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.360 -2.118 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.080 -0.882 1.007 1.00 0.00 H new ATOM 1379 N GLU A 87 1.114 -3.791 -2.012 1.00 0.00 N ATOM 1380 CA GLU A 87 0.376 -4.390 -3.112 1.00 0.00 C ATOM 1381 C GLU A 87 1.215 -5.480 -3.782 1.00 0.00 C ATOM 1382 O GLU A 87 2.232 -5.188 -4.409 1.00 0.00 O ATOM 1383 CB GLU A 87 -0.055 -3.328 -4.126 1.00 0.00 C ATOM 1384 CG GLU A 87 -1.232 -3.821 -4.969 1.00 0.00 C ATOM 1385 CD GLU A 87 -0.804 -4.066 -6.418 1.00 0.00 C ATOM 1386 OE1 GLU A 87 -0.038 -3.223 -6.933 1.00 0.00 O ATOM 1387 OE2 GLU A 87 -1.252 -5.090 -6.977 1.00 0.00 O ATOM 0 H GLU A 87 0.749 -2.894 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.527 -4.849 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.335 -2.413 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.784 -3.079 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.629 -4.742 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.036 -3.085 -4.943 1.00 0.00 H new ATOM 1394 N GLY A 88 0.757 -6.713 -3.627 1.00 0.00 N ATOM 1395 CA GLY A 88 1.452 -7.848 -4.209 1.00 0.00 C ATOM 1396 C GLY A 88 2.533 -8.374 -3.262 1.00 0.00 C ATOM 1397 O GLY A 88 3.395 -9.151 -3.669 1.00 0.00 O ATOM 0 H GLY A 88 -0.087 -6.951 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.738 -8.642 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.905 -7.555 -5.156 1.00 0.00 H new ATOM 1401 N GLU A 89 2.451 -7.930 -2.017 1.00 0.00 N ATOM 1402 CA GLU A 89 3.410 -8.346 -1.008 1.00 0.00 C ATOM 1403 C GLU A 89 2.826 -9.470 -0.150 1.00 0.00 C ATOM 1404 O GLU A 89 1.620 -9.711 -0.176 1.00 0.00 O ATOM 1405 CB GLU A 89 3.842 -7.162 -0.141 1.00 0.00 C ATOM 1406 CG GLU A 89 4.995 -6.396 -0.793 1.00 0.00 C ATOM 1407 CD GLU A 89 6.250 -7.266 -0.882 1.00 0.00 C ATOM 1408 OE1 GLU A 89 6.409 -8.127 0.010 1.00 0.00 O ATOM 1409 OE2 GLU A 89 7.023 -7.051 -1.841 1.00 0.00 O ATOM 0 H GLU A 89 1.734 -7.285 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 89 4.297 -8.726 -1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.996 -6.492 0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.148 -7.519 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.702 -6.071 -1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.211 -5.497 -0.216 1.00 0.00 H new ATOM 1416 N SER A 90 3.708 -10.126 0.589 1.00 0.00 N ATOM 1417 CA SER A 90 3.294 -11.219 1.453 1.00 0.00 C ATOM 1418 C SER A 90 2.671 -10.664 2.736 1.00 0.00 C ATOM 1419 O SER A 90 2.879 -9.501 3.079 1.00 0.00 O ATOM 1420 CB SER A 90 4.474 -12.133 1.788 1.00 0.00 C ATOM 1421 OG SER A 90 5.694 -11.408 1.909 1.00 0.00 O ATOM 0 H SER A 90 4.707 -9.922 0.608 1.00 0.00 H new ATOM 0 HA SER A 90 2.549 -11.812 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.271 -12.659 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.578 -12.890 1.011 1.00 0.00 H new ATOM 0 HG SER A 90 6.422 -12.027 2.125 1.00 0.00 H new ATOM 1427 N PRO A 91 1.901 -11.546 3.428 1.00 0.00 N ATOM 1428 CA PRO A 91 1.247 -11.156 4.666 1.00 0.00 C ATOM 1429 C PRO A 91 2.253 -11.078 5.817 1.00 0.00 C ATOM 1430 O PRO A 91 1.915 -10.630 6.911 1.00 0.00 O ATOM 1431 CB PRO A 91 0.170 -12.205 4.889 1.00 0.00 C ATOM 1432 CG PRO A 91 0.561 -13.394 4.026 1.00 0.00 C ATOM 1433 CD PRO A 91 1.633 -12.931 3.053 1.00 0.00 C ATOM 0 HA PRO A 91 0.809 -10.159 4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.112 -12.488 5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.811 -11.823 4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.934 -14.209 4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.306 -13.775 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.531 -13.544 3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.289 -13.002 2.021 1.00 0.00 H new ATOM 1441 N GLU A 92 3.468 -11.521 5.529 1.00 0.00 N ATOM 1442 CA GLU A 92 4.525 -11.507 6.526 1.00 0.00 C ATOM 1443 C GLU A 92 5.363 -10.234 6.393 1.00 0.00 C ATOM 1444 O GLU A 92 5.827 -9.685 7.391 1.00 0.00 O ATOM 1445 CB GLU A 92 5.402 -12.755 6.412 1.00 0.00 C ATOM 1446 CG GLU A 92 4.548 -14.022 6.346 1.00 0.00 C ATOM 1447 CD GLU A 92 4.751 -14.887 7.592 1.00 0.00 C ATOM 1448 OE1 GLU A 92 5.752 -15.635 7.606 1.00 0.00 O ATOM 1449 OE2 GLU A 92 3.900 -14.780 8.501 1.00 0.00 O ATOM 0 H GLU A 92 3.744 -11.892 4.620 1.00 0.00 H new ATOM 0 HA GLU A 92 4.066 -11.515 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.025 -12.686 5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.075 -12.810 7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.496 -13.751 6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.808 -14.594 5.456 1.00 0.00 H new ATOM 1456 N ALA A 93 5.530 -9.800 5.153 1.00 0.00 N ATOM 1457 CA ALA A 93 6.304 -8.602 4.876 1.00 0.00 C ATOM 1458 C ALA A 93 5.480 -7.369 5.258 1.00 0.00 C ATOM 1459 O ALA A 93 6.036 -6.344 5.649 1.00 0.00 O ATOM 1460 CB ALA A 93 6.721 -8.591 3.405 1.00 0.00 C ATOM 0 H ALA A 93 5.142 -10.257 4.328 1.00 0.00 H new ATOM 0 HA ALA A 93 7.216 -8.588 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.302 -7.692 3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.327 -9.471 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.832 -8.602 2.775 1.00 0.00 H new ATOM 1466 N VAL A 94 4.169 -7.510 5.129 1.00 0.00 N ATOM 1467 CA VAL A 94 3.264 -6.421 5.456 1.00 0.00 C ATOM 1468 C VAL A 94 3.235 -6.225 6.973 1.00 0.00 C ATOM 1469 O VAL A 94 3.238 -5.094 7.456 1.00 0.00 O ATOM 1470 CB VAL A 94 1.881 -6.695 4.861 1.00 0.00 C ATOM 1471 CG1 VAL A 94 0.810 -5.851 5.555 1.00 0.00 C ATOM 1472 CG2 VAL A 94 1.876 -6.454 3.351 1.00 0.00 C ATOM 0 H VAL A 94 3.712 -8.361 4.803 1.00 0.00 H new ATOM 0 HA VAL A 94 3.614 -5.487 5.015 1.00 0.00 H new ATOM 0 HB VAL A 94 1.644 -7.745 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.164 -6.064 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.788 -6.093 6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.042 -4.793 5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.881 -6.656 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.145 -5.417 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.599 -7.117 2.874 1.00 0.00 H new ATOM 1482 N LEU A 95 3.207 -7.344 7.681 1.00 0.00 N ATOM 1483 CA LEU A 95 3.177 -7.310 9.134 1.00 0.00 C ATOM 1484 C LEU A 95 4.499 -6.740 9.653 1.00 0.00 C ATOM 1485 O LEU A 95 4.529 -6.075 10.688 1.00 0.00 O ATOM 1486 CB LEU A 95 2.840 -8.692 9.696 1.00 0.00 C ATOM 1487 CG LEU A 95 1.351 -9.006 9.854 1.00 0.00 C ATOM 1488 CD1 LEU A 95 0.722 -8.143 10.950 1.00 0.00 C ATOM 1489 CD2 LEU A 95 0.615 -8.865 8.520 1.00 0.00 C ATOM 0 H LEU A 95 3.204 -8.280 7.276 1.00 0.00 H new ATOM 0 HA LEU A 95 2.384 -6.648 9.484 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.283 -9.445 9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.318 -8.793 10.671 1.00 0.00 H new ATOM 0 HG LEU A 95 1.253 -10.046 10.166 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.337 -8.386 11.042 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.223 -8.338 11.898 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.831 -7.090 10.691 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.441 -9.094 8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.719 -7.844 8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.042 -9.557 7.794 1.00 0.00 H new ATOM 1501 N GLU A 96 5.560 -7.022 8.911 1.00 0.00 N ATOM 1502 CA GLU A 96 6.881 -6.546 9.284 1.00 0.00 C ATOM 1503 C GLU A 96 6.950 -5.022 9.166 1.00 0.00 C ATOM 1504 O GLU A 96 7.932 -4.408 9.580 1.00 0.00 O ATOM 1505 CB GLU A 96 7.964 -7.212 8.432 1.00 0.00 C ATOM 1506 CG GLU A 96 8.068 -8.706 8.746 1.00 0.00 C ATOM 1507 CD GLU A 96 9.131 -8.969 9.815 1.00 0.00 C ATOM 1508 OE1 GLU A 96 10.320 -8.755 9.497 1.00 0.00 O ATOM 1509 OE2 GLU A 96 8.729 -9.377 10.926 1.00 0.00 O ATOM 0 H GLU A 96 5.532 -7.574 8.054 1.00 0.00 H new ATOM 0 HA GLU A 96 7.064 -6.818 10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.736 -7.074 7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.924 -6.730 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.102 -9.077 9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.316 -9.256 7.838 1.00 0.00 H new ATOM 1516 N VAL A 97 5.895 -4.457 8.598 1.00 0.00 N ATOM 1517 CA VAL A 97 5.823 -3.017 8.420 1.00 0.00 C ATOM 1518 C VAL A 97 5.242 -2.379 9.684 1.00 0.00 C ATOM 1519 O VAL A 97 4.119 -2.687 10.080 1.00 0.00 O ATOM 1520 CB VAL A 97 5.020 -2.685 7.161 1.00 0.00 C ATOM 1521 CG1 VAL A 97 4.937 -1.172 6.947 1.00 0.00 C ATOM 1522 CG2 VAL A 97 5.612 -3.380 5.934 1.00 0.00 C ATOM 0 H VAL A 97 5.083 -4.970 8.255 1.00 0.00 H new ATOM 0 HA VAL A 97 6.820 -2.600 8.274 1.00 0.00 H new ATOM 0 HB VAL A 97 4.006 -3.060 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.361 -0.963 6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.449 -0.709 7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.942 -0.764 6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.022 -3.127 5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.641 -3.049 5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.596 -4.460 6.084 1.00 0.00 H new ATOM 1532 N PRO A 98 6.056 -1.479 10.299 1.00 0.00 N ATOM 1533 CA PRO A 98 5.635 -0.795 11.510 1.00 0.00 C ATOM 1534 C PRO A 98 4.608 0.295 11.196 1.00 0.00 C ATOM 1535 O PRO A 98 4.340 0.582 10.031 1.00 0.00 O ATOM 1536 CB PRO A 98 6.916 -0.247 12.118 1.00 0.00 C ATOM 1537 CG PRO A 98 7.941 -0.242 10.995 1.00 0.00 C ATOM 1538 CD PRO A 98 7.392 -1.090 9.859 1.00 0.00 C ATOM 0 HA PRO A 98 5.128 -1.457 12.212 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.763 0.758 12.512 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.250 -0.867 12.949 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.129 0.776 10.655 1.00 0.00 H new ATOM 0 HG3 PRO A 98 8.893 -0.642 11.345 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.353 -0.526 8.927 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.019 -1.963 9.678 1.00 0.00 H new ATOM 1546 N PRO A 99 4.047 0.887 12.284 1.00 0.00 N ATOM 1547 CA PRO A 99 3.056 1.939 12.136 1.00 0.00 C ATOM 1548 C PRO A 99 3.713 3.255 11.715 1.00 0.00 C ATOM 1549 O PRO A 99 3.032 4.266 11.545 1.00 0.00 O ATOM 1550 CB PRO A 99 2.369 2.025 13.489 1.00 0.00 C ATOM 1551 CG PRO A 99 3.305 1.347 14.476 1.00 0.00 C ATOM 1552 CD PRO A 99 4.341 0.572 13.679 1.00 0.00 C ATOM 0 HA PRO A 99 2.332 1.728 11.349 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.190 3.063 13.771 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.399 1.529 13.467 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.789 2.087 15.113 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.748 0.677 15.132 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.354 0.873 13.948 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.266 -0.499 13.868 1.00 0.00 H new ATOM 1560 N GLY A 100 5.027 3.201 11.558 1.00 0.00 N ATOM 1561 CA GLY A 100 5.783 4.376 11.160 1.00 0.00 C ATOM 1562 C GLY A 100 6.885 4.008 10.165 1.00 0.00 C ATOM 1563 O GLY A 100 8.037 4.407 10.333 1.00 0.00 O ATOM 0 H GLY A 100 5.588 2.361 11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.113 5.109 10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.224 4.844 12.040 1.00 0.00 H new ATOM 1567 N PHE A 101 6.494 3.251 9.150 1.00 0.00 N ATOM 1568 CA PHE A 101 7.434 2.824 8.128 1.00 0.00 C ATOM 1569 C PHE A 101 7.873 4.005 7.260 1.00 0.00 C ATOM 1570 O PHE A 101 8.982 4.011 6.729 1.00 0.00 O ATOM 1571 CB PHE A 101 6.708 1.803 7.251 1.00 0.00 C ATOM 1572 CG PHE A 101 5.402 2.320 6.644 1.00 0.00 C ATOM 1573 CD1 PHE A 101 5.435 3.234 5.638 1.00 0.00 C ATOM 1574 CD2 PHE A 101 4.209 1.865 7.112 1.00 0.00 C ATOM 1575 CE1 PHE A 101 4.222 3.714 5.075 1.00 0.00 C ATOM 1576 CE2 PHE A 101 2.996 2.345 6.549 1.00 0.00 C ATOM 1577 CZ PHE A 101 3.029 3.259 5.543 1.00 0.00 C ATOM 0 H PHE A 101 5.538 2.922 9.014 1.00 0.00 H new ATOM 0 HA PHE A 101 8.323 2.400 8.594 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.373 1.493 6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.494 0.915 7.846 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.383 3.595 5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.184 1.139 7.911 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.247 4.440 4.276 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.048 1.984 6.920 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.107 3.624 5.115 1.00 0.00 H new ATOM 1587 N TYR A 102 6.979 4.976 7.142 1.00 0.00 N ATOM 1588 CA TYR A 102 7.259 6.159 6.347 1.00 0.00 C ATOM 1589 C TYR A 102 8.173 7.125 7.104 1.00 0.00 C ATOM 1590 O TYR A 102 8.892 7.913 6.493 1.00 0.00 O ATOM 1591 CB TYR A 102 5.909 6.836 6.107 1.00 0.00 C ATOM 1592 CG TYR A 102 5.172 7.227 7.389 1.00 0.00 C ATOM 1593 CD1 TYR A 102 5.387 8.466 7.959 1.00 0.00 C ATOM 1594 CD2 TYR A 102 4.292 6.341 7.977 1.00 0.00 C ATOM 1595 CE1 TYR A 102 4.694 8.834 9.166 1.00 0.00 C ATOM 1596 CE2 TYR A 102 3.599 6.709 9.185 1.00 0.00 C ATOM 1597 CZ TYR A 102 3.834 7.937 9.719 1.00 0.00 C ATOM 1598 OH TYR A 102 3.179 8.285 10.860 1.00 0.00 O ATOM 0 H TYR A 102 6.060 4.967 7.584 1.00 0.00 H new ATOM 0 HA TYR A 102 7.761 5.887 5.418 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.065 7.730 5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.276 6.165 5.526 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.075 9.160 7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.123 5.372 7.531 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.853 9.800 9.622 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.908 6.025 9.656 1.00 0.00 H new ATOM 0 HH TYR A 102 2.313 8.684 10.632 1.00 0.00 H new ATOM 1608 N ARG A 103 8.115 7.031 8.425 1.00 0.00 N ATOM 1609 CA ARG A 103 8.928 7.886 9.272 1.00 0.00 C ATOM 1610 C ARG A 103 10.323 8.060 8.668 1.00 0.00 C ATOM 1611 O ARG A 103 11.017 7.079 8.406 1.00 0.00 O ATOM 1612 CB ARG A 103 9.060 7.302 10.680 1.00 0.00 C ATOM 1613 CG ARG A 103 7.749 7.445 11.457 1.00 0.00 C ATOM 1614 CD ARG A 103 8.000 8.013 12.855 1.00 0.00 C ATOM 1615 NE ARG A 103 7.359 9.341 12.984 1.00 0.00 N ATOM 1616 CZ ARG A 103 7.510 10.148 14.043 1.00 0.00 C ATOM 1617 NH1 ARG A 103 8.282 9.768 15.071 1.00 0.00 N ATOM 1618 NH2 ARG A 103 6.890 11.336 14.074 1.00 0.00 N ATOM 0 H ARG A 103 7.517 6.376 8.929 1.00 0.00 H new ATOM 0 HA ARG A 103 8.432 8.855 9.337 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.337 6.250 10.617 1.00 0.00 H new ATOM 0 HB3 ARG A 103 9.862 7.811 11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.068 8.099 10.912 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.262 6.473 11.537 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.603 7.334 13.609 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.072 8.098 13.035 1.00 0.00 H new ATOM 0 HE ARG A 103 6.765 9.662 12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.755 8.864 15.047 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.397 10.382 15.877 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.303 11.626 13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.005 11.950 14.880 1.00 0.00 H new ATOM 1632 N GLY A 104 10.692 9.316 8.464 1.00 0.00 N ATOM 1633 CA GLY A 104 11.992 9.632 7.895 1.00 0.00 C ATOM 1634 C GLY A 104 12.014 9.355 6.391 1.00 0.00 C ATOM 1635 O GLY A 104 12.557 8.343 5.950 1.00 0.00 O ATOM 0 H GLY A 104 10.114 10.127 8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.228 10.680 8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.763 9.040 8.389 1.00 0.00 H new ATOM 1639 N TYR A 105 11.416 10.272 5.644 1.00 0.00 N ATOM 1640 CA TYR A 105 11.360 10.139 4.198 1.00 0.00 C ATOM 1641 C TYR A 105 10.795 11.406 3.552 1.00 0.00 C ATOM 1642 O TYR A 105 11.394 11.956 2.629 1.00 0.00 O ATOM 1643 CB TYR A 105 10.412 8.971 3.918 1.00 0.00 C ATOM 1644 CG TYR A 105 11.110 7.615 3.809 1.00 0.00 C ATOM 1645 CD1 TYR A 105 12.318 7.511 3.149 1.00 0.00 C ATOM 1646 CD2 TYR A 105 10.533 6.494 4.370 1.00 0.00 C ATOM 1647 CE1 TYR A 105 12.975 6.234 3.046 1.00 0.00 C ATOM 1648 CE2 TYR A 105 11.190 5.217 4.267 1.00 0.00 C ATOM 1649 CZ TYR A 105 12.379 5.150 3.610 1.00 0.00 C ATOM 1650 OH TYR A 105 13.000 3.944 3.513 1.00 0.00 O ATOM 0 H TYR A 105 10.966 11.110 6.013 1.00 0.00 H new ATOM 0 HA TYR A 105 12.357 9.975 3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.668 8.922 4.713 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.875 9.167 2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 105 12.770 8.388 2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 105 9.588 6.575 4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.920 6.139 2.532 1.00 0.00 H new ATOM 0 HE2 TYR A 105 10.749 4.332 4.702 1.00 0.00 H new ATOM 0 HH TYR A 105 12.460 3.261 3.963 1.00 0.00 H new ATOM 1660 N GLY A 106 9.649 11.831 4.063 1.00 0.00 N ATOM 1661 CA GLY A 106 8.997 13.023 3.548 1.00 0.00 C ATOM 1662 C GLY A 106 7.521 13.058 3.952 1.00 0.00 C ATOM 1663 O GLY A 106 7.014 14.098 4.370 1.00 0.00 O ATOM 0 H GLY A 106 9.155 11.371 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.503 13.911 3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.081 13.047 2.462 1.00 0.00 H new ATOM 1667 N LEU A 107 6.875 11.910 3.813 1.00 0.00 N ATOM 1668 CA LEU A 107 5.468 11.797 4.158 1.00 0.00 C ATOM 1669 C LEU A 107 5.215 12.510 5.488 1.00 0.00 C ATOM 1670 O LEU A 107 4.268 13.286 5.610 1.00 0.00 O ATOM 1671 CB LEU A 107 5.032 10.330 4.154 1.00 0.00 C ATOM 1672 CG LEU A 107 5.629 9.456 3.050 1.00 0.00 C ATOM 1673 CD1 LEU A 107 5.842 10.263 1.767 1.00 0.00 C ATOM 1674 CD2 LEU A 107 6.917 8.779 3.522 1.00 0.00 C ATOM 0 H LEU A 107 7.300 11.050 3.466 1.00 0.00 H new ATOM 0 HA LEU A 107 4.851 12.291 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.292 9.892 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.946 10.295 4.071 1.00 0.00 H new ATOM 0 HG LEU A 107 4.916 8.665 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.267 9.618 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.886 10.657 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.525 11.089 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.320 8.164 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.647 9.539 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.702 8.151 4.387 1.00 0.00 H new ATOM 1686 N GLU A 108 6.078 12.221 6.452 1.00 0.00 N ATOM 1687 CA GLU A 108 5.959 12.825 7.768 1.00 0.00 C ATOM 1688 C GLU A 108 5.719 14.331 7.641 1.00 0.00 C ATOM 1689 O GLU A 108 4.783 14.866 8.234 1.00 0.00 O ATOM 1690 CB GLU A 108 7.200 12.538 8.616 1.00 0.00 C ATOM 1691 CG GLU A 108 6.879 12.645 10.109 1.00 0.00 C ATOM 1692 CD GLU A 108 7.572 13.858 10.732 1.00 0.00 C ATOM 1693 OE1 GLU A 108 7.255 14.983 10.288 1.00 0.00 O ATOM 1694 OE2 GLU A 108 8.403 13.634 11.639 1.00 0.00 O ATOM 0 H GLU A 108 6.862 11.577 6.347 1.00 0.00 H new ATOM 0 HA GLU A 108 5.102 12.381 8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.576 11.540 8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.992 13.242 8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.801 12.726 10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.199 11.737 10.620 1.00 0.00 H new ATOM 1701 N GLU A 109 6.579 14.972 6.864 1.00 0.00 N ATOM 1702 CA GLU A 109 6.472 16.406 6.652 1.00 0.00 C ATOM 1703 C GLU A 109 5.255 16.724 5.781 1.00 0.00 C ATOM 1704 O GLU A 109 4.358 17.452 6.204 1.00 0.00 O ATOM 1705 CB GLU A 109 7.753 16.965 6.030 1.00 0.00 C ATOM 1706 CG GLU A 109 8.862 17.089 7.076 1.00 0.00 C ATOM 1707 CD GLU A 109 9.059 18.547 7.497 1.00 0.00 C ATOM 1708 OE1 GLU A 109 8.051 19.285 7.476 1.00 0.00 O ATOM 1709 OE2 GLU A 109 10.214 18.891 7.828 1.00 0.00 O ATOM 0 H GLU A 109 7.353 14.525 6.373 1.00 0.00 H new ATOM 0 HA GLU A 109 6.337 16.888 7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 109 8.083 16.313 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.552 17.942 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 109 8.613 16.485 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.794 16.695 6.671 1.00 0.00 H new ATOM 1716 N PHE A 110 5.263 16.162 4.582 1.00 0.00 N ATOM 1717 CA PHE A 110 4.171 16.377 3.648 1.00 0.00 C ATOM 1718 C PHE A 110 2.819 16.328 4.364 1.00 0.00 C ATOM 1719 O PHE A 110 2.112 17.332 4.431 1.00 0.00 O ATOM 1720 CB PHE A 110 4.231 15.244 2.621 1.00 0.00 C ATOM 1721 CG PHE A 110 4.469 15.717 1.185 1.00 0.00 C ATOM 1722 CD1 PHE A 110 5.722 16.059 0.781 1.00 0.00 C ATOM 1723 CD2 PHE A 110 3.428 15.796 0.314 1.00 0.00 C ATOM 1724 CE1 PHE A 110 5.943 16.498 -0.551 1.00 0.00 C ATOM 1725 CE2 PHE A 110 3.649 16.236 -1.018 1.00 0.00 C ATOM 1726 CZ PHE A 110 4.902 16.577 -1.423 1.00 0.00 C ATOM 0 H PHE A 110 6.008 15.558 4.235 1.00 0.00 H new ATOM 0 HA PHE A 110 4.269 17.357 3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.027 14.555 2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.297 14.684 2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 110 6.549 15.997 1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.433 15.524 0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 110 6.938 16.769 -0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 110 2.822 16.300 -1.710 1.00 0.00 H new ATOM 0 HZ PHE A 110 5.070 16.910 -2.436 1.00 0.00 H new ATOM 1736 N PHE A 111 2.502 15.151 4.881 1.00 0.00 N ATOM 1737 CA PHE A 111 1.248 14.958 5.590 1.00 0.00 C ATOM 1738 C PHE A 111 1.330 15.517 7.012 1.00 0.00 C ATOM 1739 O PHE A 111 2.358 15.387 7.675 1.00 0.00 O ATOM 1740 CB PHE A 111 1.001 13.450 5.660 1.00 0.00 C ATOM 1741 CG PHE A 111 0.968 12.760 4.295 1.00 0.00 C ATOM 1742 CD1 PHE A 111 -0.133 12.871 3.504 1.00 0.00 C ATOM 1743 CD2 PHE A 111 2.039 12.037 3.872 1.00 0.00 C ATOM 1744 CE1 PHE A 111 -0.164 12.230 2.237 1.00 0.00 C ATOM 1745 CE2 PHE A 111 2.008 11.397 2.605 1.00 0.00 C ATOM 1746 CZ PHE A 111 0.907 11.507 1.814 1.00 0.00 C ATOM 0 H PHE A 111 3.092 14.321 4.823 1.00 0.00 H new ATOM 0 HA PHE A 111 0.443 15.478 5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.781 12.992 6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.054 13.271 6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.983 13.446 3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.913 11.950 4.500 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.039 12.317 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.859 10.823 2.269 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.883 11.020 0.850 1.00 0.00 H new ATOM 1756 N THR A 112 0.234 16.126 7.438 1.00 0.00 N ATOM 1757 CA THR A 112 0.170 16.705 8.770 1.00 0.00 C ATOM 1758 C THR A 112 0.348 15.619 9.832 1.00 0.00 C ATOM 1759 O THR A 112 0.161 14.436 9.554 1.00 0.00 O ATOM 1760 CB THR A 112 -1.153 17.463 8.892 1.00 0.00 C ATOM 1761 OG1 THR A 112 -2.142 16.492 8.561 1.00 0.00 O ATOM 1762 CG2 THR A 112 -1.313 18.539 7.816 1.00 0.00 C ATOM 0 H THR A 112 -0.617 16.231 6.885 1.00 0.00 H new ATOM 0 HA THR A 112 0.983 17.412 8.934 1.00 0.00 H new ATOM 0 HB THR A 112 -1.217 17.923 9.878 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.032 16.899 8.617 1.00 0.00 H new ATOM 0 HG21 THR A 112 -2.269 19.047 7.948 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.503 19.263 7.902 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.282 18.075 6.830 1.00 0.00 H new ATOM 1770 N PRO A 113 0.718 16.072 11.060 1.00 0.00 N ATOM 1771 CA PRO A 113 0.924 15.152 12.166 1.00 0.00 C ATOM 1772 C PRO A 113 -0.412 14.648 12.716 1.00 0.00 C ATOM 1773 O PRO A 113 -0.441 13.780 13.587 1.00 0.00 O ATOM 1774 CB PRO A 113 1.728 15.940 13.188 1.00 0.00 C ATOM 1775 CG PRO A 113 1.544 17.404 12.824 1.00 0.00 C ATOM 1776 CD PRO A 113 0.949 17.466 11.427 1.00 0.00 C ATOM 0 HA PRO A 113 1.458 14.249 11.869 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.375 15.742 14.200 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.781 15.659 13.157 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.887 17.896 13.541 1.00 0.00 H new ATOM 0 HG3 PRO A 113 2.499 17.928 12.856 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.021 18.037 11.417 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.630 17.952 10.728 1.00 0.00 H new ATOM 1784 N LEU A 114 -1.485 15.214 12.185 1.00 0.00 N ATOM 1785 CA LEU A 114 -2.821 14.833 12.612 1.00 0.00 C ATOM 1786 C LEU A 114 -3.331 13.696 11.723 1.00 0.00 C ATOM 1787 O LEU A 114 -3.710 12.637 12.220 1.00 0.00 O ATOM 1788 CB LEU A 114 -3.744 16.053 12.639 1.00 0.00 C ATOM 1789 CG LEU A 114 -4.606 16.214 13.893 1.00 0.00 C ATOM 1790 CD1 LEU A 114 -5.448 14.961 14.144 1.00 0.00 C ATOM 1791 CD2 LEU A 114 -3.747 16.579 15.105 1.00 0.00 C ATOM 0 H LEU A 114 -1.457 15.934 11.463 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.800 14.455 13.634 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.133 16.949 12.525 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.404 16.004 11.773 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.298 17.040 13.728 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.051 15.102 15.041 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.103 14.785 13.290 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.791 14.102 14.280 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.384 16.688 15.983 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.015 15.791 15.283 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.229 17.519 14.914 1.00 0.00 H new ATOM 1803 N ARG A 115 -3.323 13.955 10.423 1.00 0.00 N ATOM 1804 CA ARG A 115 -3.780 12.968 9.461 1.00 0.00 C ATOM 1805 C ARG A 115 -2.889 11.725 9.512 1.00 0.00 C ATOM 1806 O ARG A 115 -3.373 10.603 9.370 1.00 0.00 O ATOM 1807 CB ARG A 115 -3.769 13.537 8.041 1.00 0.00 C ATOM 1808 CG ARG A 115 -4.975 13.037 7.241 1.00 0.00 C ATOM 1809 CD ARG A 115 -5.652 14.188 6.495 1.00 0.00 C ATOM 1810 NE ARG A 115 -6.840 13.689 5.766 1.00 0.00 N ATOM 1811 CZ ARG A 115 -7.832 14.472 5.321 1.00 0.00 C ATOM 1812 NH1 ARG A 115 -7.786 15.795 5.529 1.00 0.00 N ATOM 1813 NH2 ARG A 115 -8.871 13.932 4.669 1.00 0.00 N ATOM 0 H ARG A 115 -3.007 14.835 10.014 1.00 0.00 H new ATOM 0 HA ARG A 115 -4.803 12.697 9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.781 14.626 8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -2.847 13.247 7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -4.654 12.276 6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.691 12.563 7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.947 14.965 7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.950 14.642 5.796 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.908 12.686 5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -6.996 16.206 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.541 16.391 5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.907 12.925 4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -9.626 14.528 4.330 1.00 0.00 H new ATOM 1827 N LEU A 116 -1.602 11.967 9.714 1.00 0.00 N ATOM 1828 CA LEU A 116 -0.639 10.882 9.786 1.00 0.00 C ATOM 1829 C LEU A 116 -1.121 9.843 10.800 1.00 0.00 C ATOM 1830 O LEU A 116 -1.110 8.645 10.520 1.00 0.00 O ATOM 1831 CB LEU A 116 0.761 11.425 10.081 1.00 0.00 C ATOM 1832 CG LEU A 116 1.551 11.935 8.874 1.00 0.00 C ATOM 1833 CD1 LEU A 116 2.760 12.760 9.319 1.00 0.00 C ATOM 1834 CD2 LEU A 116 1.953 10.780 7.955 1.00 0.00 C ATOM 0 H LEU A 116 -1.204 12.899 9.830 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.563 10.377 8.823 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.669 12.239 10.800 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.340 10.637 10.563 1.00 0.00 H new ATOM 0 HG LEU A 116 0.905 12.596 8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.304 13.110 8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.421 13.616 9.902 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.417 12.142 9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.513 11.169 7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.575 10.075 8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.058 10.271 7.597 1.00 0.00 H new ATOM 1846 N ARG A 117 -1.534 10.339 11.957 1.00 0.00 N ATOM 1847 CA ARG A 117 -2.020 9.469 13.014 1.00 0.00 C ATOM 1848 C ARG A 117 -2.995 8.436 12.446 1.00 0.00 C ATOM 1849 O ARG A 117 -2.940 7.261 12.805 1.00 0.00 O ATOM 1850 CB ARG A 117 -2.722 10.273 14.111 1.00 0.00 C ATOM 1851 CG ARG A 117 -1.704 10.972 15.014 1.00 0.00 C ATOM 1852 CD ARG A 117 -2.216 11.056 16.454 1.00 0.00 C ATOM 1853 NE ARG A 117 -1.113 11.443 17.362 1.00 0.00 N ATOM 1854 CZ ARG A 117 -0.107 10.630 17.710 1.00 0.00 C ATOM 1855 NH1 ARG A 117 -0.058 9.380 17.228 1.00 0.00 N ATOM 1856 NH2 ARG A 117 0.851 11.066 18.539 1.00 0.00 N ATOM 0 H ARG A 117 -1.542 11.333 12.186 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.158 8.961 13.447 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -3.381 11.014 13.659 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -3.349 9.611 14.708 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -0.759 10.429 14.991 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -1.505 11.975 14.636 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -3.024 11.784 16.519 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.628 10.094 16.759 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.119 12.388 17.747 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -0.787 9.048 16.596 1.00 0.00 H new ATOM 0 HH12 ARG A 117 0.708 8.761 17.493 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.814 12.017 18.905 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.617 10.447 18.804 1.00 0.00 H new ATOM 1870 N GLY A 118 -3.865 8.912 11.567 1.00 0.00 N ATOM 1871 CA GLY A 118 -4.851 8.044 10.945 1.00 0.00 C ATOM 1872 C GLY A 118 -4.192 7.097 9.941 1.00 0.00 C ATOM 1873 O GLY A 118 -4.353 5.881 10.030 1.00 0.00 O ATOM 0 H GLY A 118 -3.908 9.887 11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.367 7.466 11.712 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.605 8.648 10.440 1.00 0.00 H new ATOM 1877 N LEU A 119 -3.463 7.690 9.007 1.00 0.00 N ATOM 1878 CA LEU A 119 -2.778 6.915 7.986 1.00 0.00 C ATOM 1879 C LEU A 119 -2.098 5.710 8.639 1.00 0.00 C ATOM 1880 O LEU A 119 -2.117 4.609 8.090 1.00 0.00 O ATOM 1881 CB LEU A 119 -1.822 7.804 7.189 1.00 0.00 C ATOM 1882 CG LEU A 119 -2.401 8.451 5.929 1.00 0.00 C ATOM 1883 CD1 LEU A 119 -3.899 8.717 6.089 1.00 0.00 C ATOM 1884 CD2 LEU A 119 -1.629 9.720 5.560 1.00 0.00 C ATOM 0 H LEU A 119 -3.332 8.699 8.936 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.492 6.525 7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.460 8.595 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.956 7.207 6.902 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.285 7.752 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -4.286 9.177 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -4.418 7.776 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -4.061 9.388 6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.061 10.160 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.691 10.435 6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -0.584 9.470 5.376 1.00 0.00 H new ATOM 1896 N GLU A 120 -1.513 5.958 9.801 1.00 0.00 N ATOM 1897 CA GLU A 120 -0.827 4.907 10.534 1.00 0.00 C ATOM 1898 C GLU A 120 -1.810 3.799 10.915 1.00 0.00 C ATOM 1899 O GLU A 120 -1.498 2.616 10.787 1.00 0.00 O ATOM 1900 CB GLU A 120 -0.128 5.470 11.773 1.00 0.00 C ATOM 1901 CG GLU A 120 0.873 6.562 11.389 1.00 0.00 C ATOM 1902 CD GLU A 120 0.814 7.730 12.375 1.00 0.00 C ATOM 1903 OE1 GLU A 120 0.542 7.457 13.564 1.00 0.00 O ATOM 1904 OE2 GLU A 120 1.042 8.871 11.917 1.00 0.00 O ATOM 0 H GLU A 120 -1.500 6.872 10.254 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.060 4.480 9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.870 5.877 12.460 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.388 4.668 12.300 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.881 6.147 11.371 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.658 6.920 10.382 1.00 0.00 H new ATOM 1911 N ALA A 121 -2.979 4.220 11.377 1.00 0.00 N ATOM 1912 CA ALA A 121 -4.009 3.278 11.777 1.00 0.00 C ATOM 1913 C ALA A 121 -4.290 2.314 10.623 1.00 0.00 C ATOM 1914 O ALA A 121 -4.330 1.100 10.818 1.00 0.00 O ATOM 1915 CB ALA A 121 -5.259 4.043 12.215 1.00 0.00 C ATOM 0 H ALA A 121 -3.235 5.202 11.483 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.675 2.684 12.628 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.032 3.336 12.515 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.013 4.690 13.057 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.624 4.649 11.386 1.00 0.00 H new ATOM 1921 N ALA A 122 -4.477 2.891 9.445 1.00 0.00 N ATOM 1922 CA ALA A 122 -4.753 2.099 8.258 1.00 0.00 C ATOM 1923 C ALA A 122 -3.907 0.824 8.294 1.00 0.00 C ATOM 1924 O ALA A 122 -4.429 -0.276 8.121 1.00 0.00 O ATOM 1925 CB ALA A 122 -4.487 2.941 7.009 1.00 0.00 C ATOM 0 H ALA A 122 -4.443 3.898 9.287 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.801 1.799 8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.694 2.347 6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -5.133 3.819 7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.444 3.258 6.999 1.00 0.00 H new ATOM 1931 N LEU A 123 -2.615 1.016 8.518 1.00 0.00 N ATOM 1932 CA LEU A 123 -1.692 -0.105 8.578 1.00 0.00 C ATOM 1933 C LEU A 123 -2.030 -0.973 9.792 1.00 0.00 C ATOM 1934 O LEU A 123 -2.399 -2.137 9.644 1.00 0.00 O ATOM 1935 CB LEU A 123 -0.245 0.391 8.560 1.00 0.00 C ATOM 1936 CG LEU A 123 0.836 -0.690 8.616 1.00 0.00 C ATOM 1937 CD1 LEU A 123 1.313 -0.914 10.052 1.00 0.00 C ATOM 1938 CD2 LEU A 123 0.348 -1.986 7.965 1.00 0.00 C ATOM 0 H LEU A 123 -2.186 1.930 8.660 1.00 0.00 H new ATOM 0 HA LEU A 123 -1.799 -0.735 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.095 0.980 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -0.102 1.064 9.406 1.00 0.00 H new ATOM 0 HG LEU A 123 1.696 -0.345 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.081 -1.687 10.064 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.726 0.014 10.447 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.472 -1.229 10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.135 -2.738 8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -0.535 -2.347 8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.097 -1.797 6.921 1.00 0.00 H new ATOM 1950 N LEU A 124 -1.891 -0.374 10.965 1.00 0.00 N ATOM 1951 CA LEU A 124 -2.176 -1.078 12.204 1.00 0.00 C ATOM 1952 C LEU A 124 -3.433 -1.931 12.023 1.00 0.00 C ATOM 1953 O LEU A 124 -3.579 -2.972 12.661 1.00 0.00 O ATOM 1954 CB LEU A 124 -2.264 -0.094 13.372 1.00 0.00 C ATOM 1955 CG LEU A 124 -0.991 0.698 13.679 1.00 0.00 C ATOM 1956 CD1 LEU A 124 -1.325 2.035 14.345 1.00 0.00 C ATOM 1957 CD2 LEU A 124 -0.017 -0.132 14.516 1.00 0.00 C ATOM 0 H LEU A 124 -1.585 0.592 11.084 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.361 -1.758 12.451 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.067 0.613 13.166 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.549 -0.647 14.267 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.493 0.923 12.736 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.403 2.578 14.553 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.953 2.627 13.679 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.857 1.853 15.279 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.879 0.455 14.720 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.491 -0.409 15.457 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.257 -1.034 13.968 1.00 0.00 H new ATOM 1969 N ARG A 125 -4.310 -1.458 11.149 1.00 0.00 N ATOM 1970 CA ARG A 125 -5.550 -2.164 10.876 1.00 0.00 C ATOM 1971 C ARG A 125 -5.281 -3.388 9.997 1.00 0.00 C ATOM 1972 O ARG A 125 -5.557 -4.517 10.399 1.00 0.00 O ATOM 1973 CB ARG A 125 -6.560 -1.253 10.174 1.00 0.00 C ATOM 1974 CG ARG A 125 -6.798 0.025 10.981 1.00 0.00 C ATOM 1975 CD ARG A 125 -8.213 0.051 11.562 1.00 0.00 C ATOM 1976 NE ARG A 125 -8.449 -1.163 12.375 1.00 0.00 N ATOM 1977 CZ ARG A 125 -8.098 -1.285 13.663 1.00 0.00 C ATOM 1978 NH1 ARG A 125 -7.493 -0.267 14.291 1.00 0.00 N ATOM 1979 NH2 ARG A 125 -8.351 -2.424 14.322 1.00 0.00 N ATOM 0 H ARG A 125 -4.186 -0.594 10.621 1.00 0.00 H new ATOM 0 HA ARG A 125 -5.968 -2.482 11.831 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.194 -0.997 9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.503 -1.784 10.040 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -6.068 0.091 11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.647 0.896 10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -8.346 0.942 12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.945 0.107 10.756 1.00 0.00 H new ATOM 0 HE ARG A 125 -8.907 -1.957 11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -7.300 0.600 13.789 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -7.226 -0.359 15.271 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.811 -3.199 13.844 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -8.084 -2.516 15.302 1.00 0.00 H new ATOM 1993 N LEU A 126 -4.747 -3.121 8.815 1.00 0.00 N ATOM 1994 CA LEU A 126 -4.438 -4.187 7.876 1.00 0.00 C ATOM 1995 C LEU A 126 -3.718 -5.317 8.613 1.00 0.00 C ATOM 1996 O LEU A 126 -4.153 -6.467 8.571 1.00 0.00 O ATOM 1997 CB LEU A 126 -3.657 -3.638 6.680 1.00 0.00 C ATOM 1998 CG LEU A 126 -4.331 -2.505 5.903 1.00 0.00 C ATOM 1999 CD1 LEU A 126 -3.303 -1.702 5.103 1.00 0.00 C ATOM 2000 CD2 LEU A 126 -5.456 -3.041 5.015 1.00 0.00 C ATOM 0 H LEU A 126 -4.520 -2.183 8.485 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.355 -4.608 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.689 -3.283 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.462 -4.459 5.990 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.786 -1.822 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.808 -0.903 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.569 -1.271 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.799 -2.360 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.918 -2.215 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.047 -3.758 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.206 -3.533 5.635 1.00 0.00 H new ATOM 2012 N GLN A 127 -2.628 -4.951 9.273 1.00 0.00 N ATOM 2013 CA GLN A 127 -1.843 -5.921 10.018 1.00 0.00 C ATOM 2014 C GLN A 127 -2.761 -6.819 10.850 1.00 0.00 C ATOM 2015 O GLN A 127 -2.462 -7.994 11.060 1.00 0.00 O ATOM 2016 CB GLN A 127 -0.809 -5.223 10.904 1.00 0.00 C ATOM 2017 CG GLN A 127 0.053 -4.260 10.086 1.00 0.00 C ATOM 2018 CD GLN A 127 1.475 -4.186 10.646 1.00 0.00 C ATOM 2019 OE1 GLN A 127 1.695 -3.948 11.822 1.00 0.00 O ATOM 2020 NE2 GLN A 127 2.425 -4.402 9.741 1.00 0.00 N ATOM 0 H GLN A 127 -2.270 -3.996 9.307 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.302 -6.546 9.307 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.316 -4.677 11.699 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.174 -5.968 11.383 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.084 -4.587 9.047 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.397 -3.267 10.094 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.172 -4.596 8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 127 3.407 -4.374 10.016 1.00 0.00 H new ATOM 2029 N ALA A 128 -3.860 -6.233 11.301 1.00 0.00 N ATOM 2030 CA ALA A 128 -4.823 -6.965 12.106 1.00 0.00 C ATOM 2031 C ALA A 128 -5.610 -7.920 11.206 1.00 0.00 C ATOM 2032 O ALA A 128 -5.849 -9.070 11.574 1.00 0.00 O ATOM 2033 CB ALA A 128 -5.730 -5.978 12.843 1.00 0.00 C ATOM 0 H ALA A 128 -4.105 -5.259 11.124 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.315 -7.565 12.861 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.452 -6.528 13.446 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.126 -5.342 13.490 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -6.259 -5.359 12.118 1.00 0.00 H new ATOM 2039 N GLN A 129 -5.992 -7.409 10.045 1.00 0.00 N ATOM 2040 CA GLN A 129 -6.747 -8.202 9.090 1.00 0.00 C ATOM 2041 C GLN A 129 -5.892 -9.358 8.566 1.00 0.00 C ATOM 2042 O GLN A 129 -6.283 -10.520 8.667 1.00 0.00 O ATOM 2043 CB GLN A 129 -7.260 -7.333 7.940 1.00 0.00 C ATOM 2044 CG GLN A 129 -8.407 -6.433 8.402 1.00 0.00 C ATOM 2045 CD GLN A 129 -9.171 -5.861 7.206 1.00 0.00 C ATOM 2046 OE1 GLN A 129 -9.133 -6.384 6.104 1.00 0.00 O ATOM 2047 NE2 GLN A 129 -9.867 -4.762 7.484 1.00 0.00 N ATOM 0 H GLN A 129 -5.793 -6.455 9.744 1.00 0.00 H new ATOM 0 HA GLN A 129 -7.615 -8.621 9.600 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.446 -6.720 7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.599 -7.969 7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.088 -7.002 9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.013 -5.618 9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.855 -4.376 8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.412 -4.305 6.753 1.00 0.00 H new ATOM 2056 N VAL A 130 -4.742 -8.998 8.016 1.00 0.00 N ATOM 2057 CA VAL A 130 -3.828 -9.991 7.475 1.00 0.00 C ATOM 2058 C VAL A 130 -3.605 -11.092 8.514 1.00 0.00 C ATOM 2059 O VAL A 130 -3.925 -12.254 8.270 1.00 0.00 O ATOM 2060 CB VAL A 130 -2.529 -9.318 7.029 1.00 0.00 C ATOM 2061 CG1 VAL A 130 -1.665 -10.281 6.211 1.00 0.00 C ATOM 2062 CG2 VAL A 130 -2.816 -8.037 6.244 1.00 0.00 C ATOM 0 H VAL A 130 -4.422 -8.033 7.933 1.00 0.00 H new ATOM 0 HA VAL A 130 -4.255 -10.461 6.589 1.00 0.00 H new ATOM 0 HB VAL A 130 -1.970 -9.044 7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.748 -9.777 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.417 -11.152 6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -2.215 -10.600 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.875 -7.579 5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.406 -8.277 5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -3.371 -7.341 6.873 1.00 0.00 H new ATOM 2072 N ARG A 131 -3.058 -10.687 9.651 1.00 0.00 N ATOM 2073 CA ARG A 131 -2.789 -11.624 10.728 1.00 0.00 C ATOM 2074 C ARG A 131 -3.931 -12.635 10.849 1.00 0.00 C ATOM 2075 O ARG A 131 -3.713 -13.778 11.248 1.00 0.00 O ATOM 2076 CB ARG A 131 -2.617 -10.896 12.062 1.00 0.00 C ATOM 2077 CG ARG A 131 -1.207 -10.317 12.193 1.00 0.00 C ATOM 2078 CD ARG A 131 -1.138 -9.293 13.329 1.00 0.00 C ATOM 2079 NE ARG A 131 0.066 -9.534 14.154 1.00 0.00 N ATOM 2080 CZ ARG A 131 0.249 -10.620 14.918 1.00 0.00 C ATOM 2081 NH1 ARG A 131 -0.693 -11.572 14.965 1.00 0.00 N ATOM 2082 NH2 ARG A 131 1.374 -10.754 15.634 1.00 0.00 N ATOM 0 H ARG A 131 -2.794 -9.722 9.850 1.00 0.00 H new ATOM 0 HA ARG A 131 -1.862 -12.145 10.490 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -3.352 -10.095 12.140 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -2.809 -11.586 12.884 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -0.496 -11.121 12.380 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -0.915 -9.845 11.255 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -1.112 -8.283 12.919 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -2.033 -9.363 13.947 1.00 0.00 H new ATOM 0 HE ARG A 131 0.803 -8.829 14.141 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -1.549 -11.470 14.419 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -0.554 -12.399 15.546 1.00 0.00 H new ATOM 0 HH21 ARG A 131 2.091 -10.029 15.598 1.00 0.00 H new ATOM 0 HH22 ARG A 131 1.513 -11.580 16.215 1.00 0.00 H new ATOM 2096 N LYS A 132 -5.123 -12.177 10.499 1.00 0.00 N ATOM 2097 CA LYS A 132 -6.300 -13.027 10.563 1.00 0.00 C ATOM 2098 C LYS A 132 -6.191 -14.124 9.502 1.00 0.00 C ATOM 2099 O LYS A 132 -6.315 -15.308 9.812 1.00 0.00 O ATOM 2100 CB LYS A 132 -7.574 -12.188 10.452 1.00 0.00 C ATOM 2101 CG LYS A 132 -8.319 -12.492 9.150 1.00 0.00 C ATOM 2102 CD LYS A 132 -9.752 -11.959 9.201 1.00 0.00 C ATOM 2103 CE LYS A 132 -10.533 -12.367 7.950 1.00 0.00 C ATOM 2104 NZ LYS A 132 -11.532 -11.331 7.602 1.00 0.00 N ATOM 0 H LYS A 132 -5.300 -11.228 10.170 1.00 0.00 H new ATOM 0 HA LYS A 132 -6.358 -13.525 11.531 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -8.224 -12.392 11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -7.321 -11.129 10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -7.789 -12.042 8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -8.333 -13.568 8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.255 -12.342 10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -9.737 -10.872 9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -9.846 -12.513 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -11.033 -13.320 8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -12.053 -11.623 6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -12.198 -11.212 8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -11.047 -10.429 7.418 1.00 0.00 H new ATOM 2118 N ALA A 133 -5.960 -13.691 8.271 1.00 0.00 N ATOM 2119 CA ALA A 133 -5.833 -14.621 7.162 1.00 0.00 C ATOM 2120 C ALA A 133 -4.887 -15.756 7.560 1.00 0.00 C ATOM 2121 O ALA A 133 -5.145 -16.919 7.256 1.00 0.00 O ATOM 2122 CB ALA A 133 -5.353 -13.870 5.919 1.00 0.00 C ATOM 0 H ALA A 133 -5.858 -12.708 8.017 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.798 -15.066 6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.258 -14.567 5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -6.074 -13.094 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.385 -13.412 6.122 1.00 0.00 H new ATOM 2128 N LEU A 134 -3.811 -15.377 8.234 1.00 0.00 N ATOM 2129 CA LEU A 134 -2.825 -16.349 8.676 1.00 0.00 C ATOM 2130 C LEU A 134 -3.540 -17.538 9.321 1.00 0.00 C ATOM 2131 O LEU A 134 -3.197 -18.690 9.058 1.00 0.00 O ATOM 2132 CB LEU A 134 -1.791 -15.685 9.588 1.00 0.00 C ATOM 2133 CG LEU A 134 -0.956 -14.570 8.955 1.00 0.00 C ATOM 2134 CD1 LEU A 134 0.266 -14.244 9.817 1.00 0.00 C ATOM 2135 CD2 LEU A 134 -0.566 -14.925 7.519 1.00 0.00 C ATOM 0 H LEU A 134 -3.600 -14.411 8.485 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.265 -16.737 7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -2.310 -15.276 10.455 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -1.113 -16.455 9.956 1.00 0.00 H new ATOM 0 HG LEU A 134 -1.568 -13.669 8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 134 0.843 -13.449 9.345 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.062 -13.918 10.804 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.889 -15.133 9.917 1.00 0.00 H new ATOM 0 HD21 LEU A 134 0.027 -14.116 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 134 0.020 -15.844 7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -1.467 -15.068 6.922 1.00 0.00 H new ATOM 2147 N THR A 135 -4.521 -17.218 10.151 1.00 0.00 N ATOM 2148 CA THR A 135 -5.288 -18.245 10.835 1.00 0.00 C ATOM 2149 C THR A 135 -6.745 -18.224 10.368 1.00 0.00 C ATOM 2150 O THR A 135 -7.644 -18.621 11.107 1.00 0.00 O ATOM 2151 CB THR A 135 -5.130 -18.029 12.342 1.00 0.00 C ATOM 2152 OG1 THR A 135 -5.644 -19.226 12.920 1.00 0.00 O ATOM 2153 CG2 THR A 135 -6.052 -16.931 12.876 1.00 0.00 C ATOM 0 H THR A 135 -4.803 -16.261 10.366 1.00 0.00 H new ATOM 0 HA THR A 135 -4.917 -19.241 10.594 1.00 0.00 H new ATOM 0 HB THR A 135 -4.094 -17.773 12.565 1.00 0.00 H new ATOM 0 HG1 THR A 135 -6.521 -19.426 12.532 1.00 0.00 H new ATOM 0 HG21 THR A 135 -5.900 -16.818 13.949 1.00 0.00 H new ATOM 0 HG22 THR A 135 -5.824 -15.989 12.376 1.00 0.00 H new ATOM 0 HG23 THR A 135 -7.090 -17.202 12.683 1.00 0.00 H new ATOM 2161 N SER A 136 -6.933 -17.756 9.143 1.00 0.00 N ATOM 2162 CA SER A 136 -8.265 -17.677 8.568 1.00 0.00 C ATOM 2163 C SER A 136 -9.080 -18.909 8.966 1.00 0.00 C ATOM 2164 O SER A 136 -8.538 -20.007 9.077 1.00 0.00 O ATOM 2165 CB SER A 136 -8.200 -17.553 7.044 1.00 0.00 C ATOM 2166 OG SER A 136 -9.373 -16.946 6.508 1.00 0.00 O ATOM 0 H SER A 136 -6.185 -17.428 8.532 1.00 0.00 H new ATOM 0 HA SER A 136 -8.754 -16.784 8.958 1.00 0.00 H new ATOM 0 HB2 SER A 136 -7.327 -16.963 6.765 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.070 -18.542 6.605 1.00 0.00 H new ATOM 0 HG SER A 136 -9.293 -16.883 5.533 1.00 0.00 H new TER 2172 SER A 136