USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 808 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 29 CYS SG : rot 157:sc= -0.0488 USER MOD Set 1.2: A 32 CYS SG : rot 75:sc= -0.376 USER MOD Set 2.1: A 7 THR OG1 : rot 97:sc= 1.27 USER MOD Set 2.2: A 9 GLN : amide:sc= 0.589 K(o=1.9,f=-1.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.39 (180deg=0.44) USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= 0.766 (180deg=0.696) USER MOD Single : A 10 SER OG : rot 180:sc=-0.000324 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -85:sc= 1.29 USER MOD Single : A 16 SER OG : rot 86:sc= 1.24 USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= 0.92 (180deg=0.794) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.484 X(o=0.48,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 3.56 (180deg=3.46) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.21) USER MOD Single : A 60 ASN : amide:sc= -2.47 K(o=-2.5,f=-6.1!) USER MOD Single : A 61 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.1!) USER MOD Single : A 63 THR OG1 : rot -60:sc= 1.26 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -155:sc= 0.046 USER MOD Single : A 70 MET CE :methyl 175:sc= -0.37 (180deg=-0.379) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 107:sc= 1.27 USER MOD Single : A 79 LYS NZ :NH3+ -152:sc= 1.98 (180deg=1.11) USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.000385 USER MOD Single : A 87 SER OG : rot -170:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -106:sc= 2.19 (180deg=-0.181) USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 2.5 (180deg=2.44) USER MOD Single : A 97 GLN : amide:sc= 0.37 K(o=0.37,f=-0.44) USER MOD Single : A 101 ASN : amide:sc= 0.659 K(o=0.66,f=-0.021) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.885 -0.169 -2.224 1.00 0.00 N ATOM 2 CA MET A 1 2.515 -1.093 -1.255 1.00 0.00 C ATOM 3 C MET A 1 2.376 -2.529 -1.762 1.00 0.00 C ATOM 4 O MET A 1 3.346 -3.081 -2.289 1.00 0.00 O ATOM 5 CB MET A 1 1.974 -0.921 0.180 1.00 0.00 C ATOM 6 CG MET A 1 2.433 0.388 0.837 1.00 0.00 C ATOM 7 SD MET A 1 4.232 0.582 0.984 1.00 0.00 S ATOM 8 CE MET A 1 4.291 2.216 1.771 1.00 0.00 C ATOM 0 H1 MET A 1 1.549 0.680 -1.726 1.00 0.00 H new ATOM 0 H2 MET A 1 2.582 0.106 -2.945 1.00 0.00 H new ATOM 0 H3 MET A 1 1.081 -0.643 -2.683 1.00 0.00 H new ATOM 0 HA MET A 1 3.574 -0.845 -1.186 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.885 -0.948 0.158 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.302 -1.763 0.790 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.038 1.224 0.260 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.993 0.451 1.832 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.329 2.502 1.939 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.813 2.950 1.122 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.766 2.179 2.725 1.00 0.00 H new ATOM 20 N ALA A 2 1.197 -3.144 -1.607 1.00 0.00 N ATOM 21 CA ALA A 2 0.827 -4.410 -2.221 1.00 0.00 C ATOM 22 C ALA A 2 -0.694 -4.424 -2.352 1.00 0.00 C ATOM 23 O ALA A 2 -1.405 -3.913 -1.480 1.00 0.00 O ATOM 24 CB ALA A 2 1.290 -5.592 -1.359 1.00 0.00 C ATOM 0 H ALA A 2 0.453 -2.754 -1.029 1.00 0.00 H new ATOM 0 HA ALA A 2 1.305 -4.508 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.002 -6.527 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.374 -5.560 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.824 -5.530 -0.376 1.00 0.00 H new ATOM 30 N ILE A 3 -1.186 -5.016 -3.438 1.00 0.00 N ATOM 31 CA ILE A 3 -2.609 -5.125 -3.726 1.00 0.00 C ATOM 32 C ILE A 3 -3.181 -6.249 -2.849 1.00 0.00 C ATOM 33 O ILE A 3 -2.506 -7.243 -2.563 1.00 0.00 O ATOM 34 CB ILE A 3 -2.777 -5.349 -5.249 1.00 0.00 C ATOM 35 CG1 ILE A 3 -2.231 -4.106 -5.997 1.00 0.00 C ATOM 36 CG2 ILE A 3 -4.239 -5.625 -5.632 1.00 0.00 C ATOM 37 CD1 ILE A 3 -2.211 -4.228 -7.519 1.00 0.00 C ATOM 0 H ILE A 3 -0.595 -5.440 -4.153 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.169 -4.222 -3.484 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.211 -6.234 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.836 -3.241 -5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.217 -3.908 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.311 -5.776 -6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.588 -6.520 -5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.857 -4.775 -5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.813 -3.310 -7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.581 -5.069 -7.808 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.225 -4.392 -7.884 1.00 0.00 H new ATOM 49 N VAL A 4 -4.435 -6.090 -2.434 1.00 0.00 N ATOM 50 CA VAL A 4 -5.141 -6.964 -1.501 1.00 0.00 C ATOM 51 C VAL A 4 -6.058 -7.887 -2.320 1.00 0.00 C ATOM 52 O VAL A 4 -6.285 -7.656 -3.509 1.00 0.00 O ATOM 53 CB VAL A 4 -5.888 -6.075 -0.471 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.567 -6.862 0.662 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.934 -5.058 0.189 1.00 0.00 C ATOM 0 H VAL A 4 -5.013 -5.313 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.472 -7.607 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.659 -5.576 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.066 -6.168 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.301 -7.548 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.816 -7.428 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.488 -4.451 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.136 -5.590 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.503 -4.413 -0.577 1.00 0.00 H new ATOM 65 N LYS A 5 -6.580 -8.950 -1.708 1.00 0.00 N ATOM 66 CA LYS A 5 -7.516 -9.894 -2.318 1.00 0.00 C ATOM 67 C LYS A 5 -8.679 -10.047 -1.344 1.00 0.00 C ATOM 68 O LYS A 5 -8.441 -10.081 -0.134 1.00 0.00 O ATOM 69 CB LYS A 5 -6.852 -11.268 -2.559 1.00 0.00 C ATOM 70 CG LYS A 5 -5.996 -11.377 -3.835 1.00 0.00 C ATOM 71 CD LYS A 5 -4.473 -11.436 -3.629 1.00 0.00 C ATOM 72 CE LYS A 5 -3.909 -10.101 -3.129 1.00 0.00 C ATOM 73 NZ LYS A 5 -2.426 -10.062 -3.099 1.00 0.00 N ATOM 0 H LYS A 5 -6.355 -9.185 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.847 -9.523 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.224 -11.504 -1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.633 -12.027 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.303 -12.271 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.222 -10.523 -4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.234 -12.222 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.990 -11.704 -4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.273 -9.298 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.291 -9.906 -2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.108 -9.089 -2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.077 -10.687 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.052 -10.383 -4.015 1.00 0.00 H new ATOM 87 N ALA A 6 -9.910 -10.150 -1.846 1.00 0.00 N ATOM 88 CA ALA A 6 -11.091 -10.372 -1.016 1.00 0.00 C ATOM 89 C ALA A 6 -12.187 -11.116 -1.784 1.00 0.00 C ATOM 90 O ALA A 6 -12.138 -11.226 -3.010 1.00 0.00 O ATOM 91 CB ALA A 6 -11.629 -9.025 -0.516 1.00 0.00 C ATOM 0 H ALA A 6 -10.115 -10.081 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.797 -10.992 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.510 -9.192 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.862 -8.523 0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.898 -8.401 -1.369 1.00 0.00 H new ATOM 97 N THR A 7 -13.194 -11.578 -1.043 1.00 0.00 N ATOM 98 CA THR A 7 -14.413 -12.223 -1.522 1.00 0.00 C ATOM 99 C THR A 7 -15.574 -11.706 -0.652 1.00 0.00 C ATOM 100 O THR A 7 -15.346 -10.880 0.237 1.00 0.00 O ATOM 101 CB THR A 7 -14.248 -13.758 -1.449 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.861 -14.171 -0.153 1.00 0.00 O ATOM 103 CG2 THR A 7 -13.200 -14.297 -2.426 1.00 0.00 C ATOM 0 H THR A 7 -13.177 -11.506 -0.026 1.00 0.00 H new ATOM 0 HA THR A 7 -14.621 -11.984 -2.565 1.00 0.00 H new ATOM 0 HB THR A 7 -15.226 -14.159 -1.714 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.652 -14.460 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.132 -15.380 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.490 -14.045 -3.446 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.231 -13.850 -2.203 1.00 0.00 H new ATOM 111 N ASP A 8 -16.801 -12.205 -0.845 1.00 0.00 N ATOM 112 CA ASP A 8 -17.997 -11.814 -0.075 1.00 0.00 C ATOM 113 C ASP A 8 -17.774 -11.834 1.440 1.00 0.00 C ATOM 114 O ASP A 8 -18.340 -11.029 2.180 1.00 0.00 O ATOM 115 CB ASP A 8 -19.147 -12.785 -0.387 1.00 0.00 C ATOM 116 CG ASP A 8 -20.474 -12.247 0.171 1.00 0.00 C ATOM 117 OD1 ASP A 8 -21.000 -11.264 -0.397 1.00 0.00 O ATOM 118 OD2 ASP A 8 -20.999 -12.822 1.152 1.00 0.00 O ATOM 0 H ASP A 8 -16.999 -12.909 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.231 -10.792 -0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.230 -12.925 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -18.933 -13.762 0.046 1.00 0.00 H new ATOM 123 N GLN A 9 -16.922 -12.760 1.886 1.00 0.00 N ATOM 124 CA GLN A 9 -16.578 -13.012 3.273 1.00 0.00 C ATOM 125 C GLN A 9 -15.930 -11.795 3.948 1.00 0.00 C ATOM 126 O GLN A 9 -16.149 -11.595 5.145 1.00 0.00 O ATOM 127 CB GLN A 9 -15.635 -14.229 3.334 1.00 0.00 C ATOM 128 CG GLN A 9 -16.328 -15.576 3.037 1.00 0.00 C ATOM 129 CD GLN A 9 -16.815 -15.733 1.592 1.00 0.00 C ATOM 130 OE1 GLN A 9 -16.172 -15.276 0.651 1.00 0.00 O ATOM 131 NE2 GLN A 9 -17.971 -16.338 1.375 1.00 0.00 N ATOM 0 H GLN A 9 -16.430 -13.385 1.247 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.497 -13.216 3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -14.825 -14.084 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.182 -14.276 4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -15.634 -16.385 3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.179 -15.689 3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.503 -16.717 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.330 -16.426 0.424 1.00 0.00 H new ATOM 140 N SER A 10 -15.164 -10.984 3.205 1.00 0.00 N ATOM 141 CA SER A 10 -14.329 -9.936 3.804 1.00 0.00 C ATOM 142 C SER A 10 -14.225 -8.645 2.991 1.00 0.00 C ATOM 143 O SER A 10 -13.684 -7.668 3.508 1.00 0.00 O ATOM 144 CB SER A 10 -12.917 -10.490 4.071 1.00 0.00 C ATOM 145 OG SER A 10 -12.945 -11.735 4.756 1.00 0.00 O ATOM 0 H SER A 10 -15.106 -11.035 2.188 1.00 0.00 H new ATOM 0 HA SER A 10 -14.832 -9.659 4.730 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.392 -10.611 3.124 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.351 -9.767 4.659 1.00 0.00 H new ATOM 0 HG SER A 10 -12.028 -12.049 4.902 1.00 0.00 H new ATOM 151 N PHE A 11 -14.760 -8.584 1.769 1.00 0.00 N ATOM 152 CA PHE A 11 -14.724 -7.370 0.957 1.00 0.00 C ATOM 153 C PHE A 11 -15.341 -6.191 1.708 1.00 0.00 C ATOM 154 O PHE A 11 -14.836 -5.071 1.618 1.00 0.00 O ATOM 155 CB PHE A 11 -15.450 -7.619 -0.371 1.00 0.00 C ATOM 156 CG PHE A 11 -15.380 -6.465 -1.357 1.00 0.00 C ATOM 157 CD1 PHE A 11 -14.146 -6.116 -1.938 1.00 0.00 C ATOM 158 CD2 PHE A 11 -16.542 -5.758 -1.724 1.00 0.00 C ATOM 159 CE1 PHE A 11 -14.074 -5.091 -2.894 1.00 0.00 C ATOM 160 CE2 PHE A 11 -16.468 -4.725 -2.674 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.237 -4.398 -3.268 1.00 0.00 C ATOM 0 H PHE A 11 -15.227 -9.371 1.319 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.685 -7.115 0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -15.026 -8.507 -0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.497 -7.838 -0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.248 -6.641 -1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -17.491 -6.010 -1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.125 -4.835 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.360 -4.181 -2.948 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.185 -3.615 -4.011 1.00 0.00 H new ATOM 171 N SER A 12 -16.389 -6.438 2.497 1.00 0.00 N ATOM 172 CA SER A 12 -17.077 -5.387 3.227 1.00 0.00 C ATOM 173 C SER A 12 -16.196 -4.817 4.337 1.00 0.00 C ATOM 174 O SER A 12 -16.176 -3.605 4.543 1.00 0.00 O ATOM 175 CB SER A 12 -18.399 -5.930 3.788 1.00 0.00 C ATOM 176 OG SER A 12 -19.113 -6.648 2.790 1.00 0.00 O ATOM 0 H SER A 12 -16.778 -7.369 2.643 1.00 0.00 H new ATOM 0 HA SER A 12 -17.297 -4.569 2.541 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.198 -6.582 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 12 -19.009 -5.105 4.156 1.00 0.00 H new ATOM 0 HG SER A 12 -19.951 -6.987 3.168 1.00 0.00 H new ATOM 182 N ALA A 13 -15.432 -5.669 5.026 1.00 0.00 N ATOM 183 CA ALA A 13 -14.487 -5.228 6.037 1.00 0.00 C ATOM 184 C ALA A 13 -13.365 -4.432 5.370 1.00 0.00 C ATOM 185 O ALA A 13 -13.017 -3.346 5.831 1.00 0.00 O ATOM 186 CB ALA A 13 -13.927 -6.434 6.799 1.00 0.00 C ATOM 0 H ALA A 13 -15.456 -6.680 4.894 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.994 -4.584 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.220 -6.091 7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.744 -6.970 7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.419 -7.101 6.102 1.00 0.00 H new ATOM 192 N GLU A 14 -12.822 -4.951 4.265 1.00 0.00 N ATOM 193 CA GLU A 14 -11.679 -4.355 3.588 1.00 0.00 C ATOM 194 C GLU A 14 -12.019 -2.973 3.038 1.00 0.00 C ATOM 195 O GLU A 14 -11.191 -2.067 3.126 1.00 0.00 O ATOM 196 CB GLU A 14 -11.187 -5.271 2.455 1.00 0.00 C ATOM 197 CG GLU A 14 -10.463 -6.514 2.990 1.00 0.00 C ATOM 198 CD GLU A 14 -9.132 -6.219 3.711 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.596 -5.093 3.596 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.616 -7.124 4.407 1.00 0.00 O ATOM 0 H GLU A 14 -13.168 -5.800 3.817 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.881 -4.240 4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.036 -5.581 1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.514 -4.712 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.126 -7.037 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.269 -7.192 2.159 1.00 0.00 H new ATOM 207 N THR A 15 -13.230 -2.788 2.511 1.00 0.00 N ATOM 208 CA THR A 15 -13.648 -1.529 1.914 1.00 0.00 C ATOM 209 C THR A 15 -14.052 -0.479 2.962 1.00 0.00 C ATOM 210 O THR A 15 -14.394 0.647 2.590 1.00 0.00 O ATOM 211 CB THR A 15 -14.726 -1.793 0.851 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.782 -2.593 1.340 1.00 0.00 O ATOM 213 CG2 THR A 15 -14.113 -2.488 -0.373 1.00 0.00 C ATOM 0 H THR A 15 -13.948 -3.513 2.488 1.00 0.00 H new ATOM 0 HA THR A 15 -12.793 -1.081 1.408 1.00 0.00 H new ATOM 0 HB THR A 15 -15.131 -0.820 0.575 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.540 -3.539 1.259 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.890 -2.668 -1.116 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.339 -1.852 -0.803 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.674 -3.439 -0.070 1.00 0.00 H new ATOM 221 N SER A 16 -13.970 -0.802 4.260 1.00 0.00 N ATOM 222 CA SER A 16 -14.489 0.027 5.347 1.00 0.00 C ATOM 223 C SER A 16 -13.367 0.608 6.213 1.00 0.00 C ATOM 224 O SER A 16 -13.541 0.785 7.420 1.00 0.00 O ATOM 225 CB SER A 16 -15.525 -0.763 6.161 1.00 0.00 C ATOM 226 OG SER A 16 -16.620 -1.150 5.357 1.00 0.00 O ATOM 0 H SER A 16 -13.532 -1.664 4.586 1.00 0.00 H new ATOM 0 HA SER A 16 -14.996 0.889 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.056 -1.648 6.591 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.879 -0.154 6.993 1.00 0.00 H new ATOM 0 HG SER A 16 -16.413 -1.996 4.908 1.00 0.00 H new ATOM 232 N GLU A 17 -12.212 0.909 5.607 1.00 0.00 N ATOM 233 CA GLU A 17 -11.040 1.400 6.341 1.00 0.00 C ATOM 234 C GLU A 17 -10.383 2.636 5.717 1.00 0.00 C ATOM 235 O GLU A 17 -9.423 3.162 6.287 1.00 0.00 O ATOM 236 CB GLU A 17 -9.999 0.275 6.486 1.00 0.00 C ATOM 237 CG GLU A 17 -10.511 -0.975 7.214 1.00 0.00 C ATOM 238 CD GLU A 17 -9.373 -1.976 7.483 1.00 0.00 C ATOM 239 OE1 GLU A 17 -8.591 -2.275 6.551 1.00 0.00 O ATOM 240 OE2 GLU A 17 -9.255 -2.472 8.627 1.00 0.00 O ATOM 0 H GLU A 17 -12.064 0.820 4.602 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.408 1.711 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.654 -0.014 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.134 0.664 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.972 -0.684 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.285 -1.455 6.615 1.00 0.00 H new ATOM 247 N GLY A 18 -10.857 3.118 4.567 1.00 0.00 N ATOM 248 CA GLY A 18 -10.178 4.185 3.849 1.00 0.00 C ATOM 249 C GLY A 18 -10.733 4.337 2.449 1.00 0.00 C ATOM 250 O GLY A 18 -11.837 3.868 2.167 1.00 0.00 O ATOM 0 H GLY A 18 -11.709 2.783 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.291 5.123 4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.110 3.972 3.799 1.00 0.00 H new ATOM 254 N VAL A 19 -9.979 5.007 1.581 1.00 0.00 N ATOM 255 CA VAL A 19 -10.254 5.015 0.152 1.00 0.00 C ATOM 256 C VAL A 19 -9.823 3.639 -0.356 1.00 0.00 C ATOM 257 O VAL A 19 -8.685 3.222 -0.111 1.00 0.00 O ATOM 258 CB VAL A 19 -9.462 6.144 -0.540 1.00 0.00 C ATOM 259 CG1 VAL A 19 -9.846 6.226 -2.021 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.722 7.524 0.079 1.00 0.00 C ATOM 0 H VAL A 19 -9.163 5.557 1.850 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.306 5.201 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.409 5.895 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.281 7.026 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.618 5.278 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.913 6.432 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.137 8.276 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.782 7.765 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.432 7.512 1.130 1.00 0.00 H new ATOM 270 N VAL A 20 -10.700 2.933 -1.064 1.00 0.00 N ATOM 271 CA VAL A 20 -10.443 1.581 -1.523 1.00 0.00 C ATOM 272 C VAL A 20 -10.934 1.472 -2.962 1.00 0.00 C ATOM 273 O VAL A 20 -12.127 1.599 -3.234 1.00 0.00 O ATOM 274 CB VAL A 20 -11.102 0.546 -0.584 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.669 -0.865 -0.999 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.733 0.780 0.893 1.00 0.00 C ATOM 0 H VAL A 20 -11.616 3.291 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.376 1.361 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.182 0.658 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.133 -1.597 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.982 -1.054 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.584 -0.948 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.220 0.028 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.652 0.706 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.065 1.772 1.198 1.00 0.00 H new ATOM 286 N LEU A 21 -10.007 1.251 -3.889 1.00 0.00 N ATOM 287 CA LEU A 21 -10.335 0.885 -5.257 1.00 0.00 C ATOM 288 C LEU A 21 -10.446 -0.636 -5.270 1.00 0.00 C ATOM 289 O LEU A 21 -9.736 -1.329 -4.539 1.00 0.00 O ATOM 290 CB LEU A 21 -9.261 1.439 -6.209 1.00 0.00 C ATOM 291 CG LEU A 21 -9.521 1.138 -7.701 1.00 0.00 C ATOM 292 CD1 LEU A 21 -9.081 2.318 -8.574 1.00 0.00 C ATOM 293 CD2 LEU A 21 -8.759 -0.107 -8.170 1.00 0.00 C ATOM 0 H LEU A 21 -9.005 1.322 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.276 1.311 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.194 2.519 -6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.294 1.022 -5.929 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.592 0.966 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.272 2.087 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.642 3.209 -8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.016 2.499 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.968 -0.286 -9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.689 0.048 -8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.078 -0.970 -7.586 1.00 0.00 H new ATOM 305 N ALA A 22 -11.326 -1.172 -6.102 1.00 0.00 N ATOM 306 CA ALA A 22 -11.517 -2.600 -6.262 1.00 0.00 C ATOM 307 C ALA A 22 -11.539 -2.909 -7.750 1.00 0.00 C ATOM 308 O ALA A 22 -11.920 -2.058 -8.554 1.00 0.00 O ATOM 309 CB ALA A 22 -12.821 -3.019 -5.583 1.00 0.00 C ATOM 0 H ALA A 22 -11.938 -0.612 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.707 -3.159 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.965 -4.093 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.773 -2.776 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.656 -2.488 -6.040 1.00 0.00 H new ATOM 315 N ASP A 23 -11.161 -4.131 -8.101 1.00 0.00 N ATOM 316 CA ASP A 23 -11.080 -4.613 -9.472 1.00 0.00 C ATOM 317 C ASP A 23 -11.762 -5.973 -9.506 1.00 0.00 C ATOM 318 O ASP A 23 -11.211 -6.983 -9.049 1.00 0.00 O ATOM 319 CB ASP A 23 -9.626 -4.684 -9.942 1.00 0.00 C ATOM 320 CG ASP A 23 -9.493 -5.393 -11.300 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.369 -5.212 -12.175 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.476 -6.097 -11.493 1.00 0.00 O ATOM 0 H ASP A 23 -10.893 -4.837 -7.415 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.581 -3.930 -10.158 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.220 -3.675 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.030 -5.212 -9.198 1.00 0.00 H new ATOM 327 N PHE A 24 -13.016 -5.945 -9.955 1.00 0.00 N ATOM 328 CA PHE A 24 -13.842 -7.103 -10.212 1.00 0.00 C ATOM 329 C PHE A 24 -13.336 -7.682 -11.530 1.00 0.00 C ATOM 330 O PHE A 24 -13.467 -7.033 -12.575 1.00 0.00 O ATOM 331 CB PHE A 24 -15.327 -6.704 -10.270 1.00 0.00 C ATOM 332 CG PHE A 24 -15.908 -6.276 -8.929 1.00 0.00 C ATOM 333 CD1 PHE A 24 -15.530 -5.053 -8.335 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.811 -7.119 -8.252 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.015 -4.705 -7.063 1.00 0.00 C ATOM 336 CE2 PHE A 24 -17.318 -6.750 -6.994 1.00 0.00 C ATOM 337 CZ PHE A 24 -16.911 -5.550 -6.393 1.00 0.00 C ATOM 0 H PHE A 24 -13.498 -5.069 -10.156 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.774 -7.849 -9.420 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.445 -5.888 -10.982 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.904 -7.546 -10.652 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -14.866 -4.382 -8.860 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -17.115 -8.053 -8.701 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -15.696 -3.783 -6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -18.023 -7.393 -6.488 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.286 -5.278 -5.418 1.00 0.00 H new ATOM 347 N TRP A 25 -12.735 -8.873 -11.475 1.00 0.00 N ATOM 348 CA TRP A 25 -11.993 -9.445 -12.595 1.00 0.00 C ATOM 349 C TRP A 25 -12.254 -10.945 -12.747 1.00 0.00 C ATOM 350 O TRP A 25 -12.934 -11.553 -11.916 1.00 0.00 O ATOM 351 CB TRP A 25 -10.493 -9.153 -12.414 1.00 0.00 C ATOM 352 CG TRP A 25 -9.755 -10.020 -11.436 1.00 0.00 C ATOM 353 CD1 TRP A 25 -9.919 -10.007 -10.097 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.733 -11.032 -11.697 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.114 -10.962 -9.513 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.340 -11.611 -10.451 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.086 -11.514 -12.857 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.360 -12.611 -10.362 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.094 -12.511 -12.776 1.00 0.00 C ATOM 360 CH2 TRP A 25 -6.735 -13.064 -11.534 1.00 0.00 C ATOM 0 H TRP A 25 -12.751 -9.469 -10.647 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.340 -8.977 -13.516 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -10.008 -9.246 -13.386 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.383 -8.115 -12.100 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.583 -9.345 -9.561 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.094 -11.163 -8.513 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.357 -11.111 -13.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.090 -13.027 -9.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.605 -12.854 -13.676 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.981 -13.835 -11.482 1.00 0.00 H new ATOM 371 N ALA A 26 -11.702 -11.534 -13.813 1.00 0.00 N ATOM 372 CA ALA A 26 -11.625 -12.972 -14.034 1.00 0.00 C ATOM 373 C ALA A 26 -10.411 -13.237 -14.941 1.00 0.00 C ATOM 374 O ALA A 26 -10.118 -12.404 -15.804 1.00 0.00 O ATOM 375 CB ALA A 26 -12.911 -13.476 -14.697 1.00 0.00 C ATOM 0 H ALA A 26 -11.282 -10.997 -14.572 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.513 -13.500 -13.087 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.840 -14.552 -14.857 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.762 -13.260 -14.051 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.047 -12.975 -15.656 1.00 0.00 H new ATOM 381 N PRO A 27 -9.709 -14.375 -14.800 1.00 0.00 N ATOM 382 CA PRO A 27 -8.432 -14.606 -15.472 1.00 0.00 C ATOM 383 C PRO A 27 -8.582 -14.933 -16.960 1.00 0.00 C ATOM 384 O PRO A 27 -7.627 -14.770 -17.722 1.00 0.00 O ATOM 385 CB PRO A 27 -7.789 -15.770 -14.711 1.00 0.00 C ATOM 386 CG PRO A 27 -8.988 -16.564 -14.196 1.00 0.00 C ATOM 387 CD PRO A 27 -10.025 -15.478 -13.908 1.00 0.00 C ATOM 0 HA PRO A 27 -7.821 -13.704 -15.455 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.157 -16.374 -15.361 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.160 -15.417 -13.894 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.347 -17.278 -14.937 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.740 -17.133 -13.300 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.035 -15.846 -14.086 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -9.980 -15.162 -12.866 1.00 0.00 H new ATOM 395 N TRP A 28 -9.761 -15.383 -17.401 1.00 0.00 N ATOM 396 CA TRP A 28 -10.017 -15.687 -18.803 1.00 0.00 C ATOM 397 C TRP A 28 -10.284 -14.418 -19.627 1.00 0.00 C ATOM 398 O TRP A 28 -10.364 -14.497 -20.854 1.00 0.00 O ATOM 399 CB TRP A 28 -11.162 -16.711 -18.896 1.00 0.00 C ATOM 400 CG TRP A 28 -12.386 -16.490 -18.049 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.011 -15.310 -17.830 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.160 -17.482 -17.302 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.123 -15.506 -17.040 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.255 -16.823 -16.664 1.00 0.00 C ATOM 405 CE3 TRP A 28 -13.045 -18.874 -17.092 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.182 -17.508 -15.862 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -13.969 -19.572 -16.289 1.00 0.00 C ATOM 408 CH2 TRP A 28 -15.035 -18.892 -15.673 1.00 0.00 C ATOM 0 H TRP A 28 -10.562 -15.545 -16.791 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.124 -16.131 -19.243 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.482 -16.759 -19.937 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -10.754 -17.690 -18.643 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.686 -14.356 -18.217 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -14.769 -14.765 -16.767 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.233 -19.414 -17.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -15.999 -16.977 -15.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -13.858 -20.637 -16.146 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.738 -19.432 -15.057 1.00 0.00 H new ATOM 419 N CYS A 29 -10.421 -13.251 -18.983 1.00 0.00 N ATOM 420 CA CYS A 29 -10.680 -11.991 -19.659 1.00 0.00 C ATOM 421 C CYS A 29 -9.331 -11.319 -19.926 1.00 0.00 C ATOM 422 O CYS A 29 -8.608 -10.988 -18.984 1.00 0.00 O ATOM 423 CB CYS A 29 -11.602 -11.134 -18.782 1.00 0.00 C ATOM 424 SG CYS A 29 -12.020 -9.589 -19.638 1.00 0.00 S ATOM 0 H CYS A 29 -10.353 -13.164 -17.969 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.187 -12.135 -20.613 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.512 -11.687 -18.549 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.112 -10.912 -17.834 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.130 -9.113 -19.157 1.00 0.00 H new ATOM 430 N GLY A 30 -8.990 -11.117 -21.201 1.00 0.00 N ATOM 431 CA GLY A 30 -7.760 -10.448 -21.618 1.00 0.00 C ATOM 432 C GLY A 30 -7.603 -9.071 -20.968 1.00 0.00 C ATOM 433 O GLY A 30 -6.627 -8.865 -20.247 1.00 0.00 O ATOM 0 H GLY A 30 -9.571 -11.419 -21.983 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.904 -11.070 -21.358 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.757 -10.339 -22.702 1.00 0.00 H new ATOM 437 N PRO A 31 -8.552 -8.134 -21.147 1.00 0.00 N ATOM 438 CA PRO A 31 -8.495 -6.806 -20.545 1.00 0.00 C ATOM 439 C PRO A 31 -8.241 -6.774 -19.030 1.00 0.00 C ATOM 440 O PRO A 31 -7.545 -5.871 -18.568 1.00 0.00 O ATOM 441 CB PRO A 31 -9.811 -6.129 -20.930 1.00 0.00 C ATOM 442 CG PRO A 31 -10.127 -6.751 -22.287 1.00 0.00 C ATOM 443 CD PRO A 31 -9.625 -8.186 -22.134 1.00 0.00 C ATOM 0 HA PRO A 31 -7.623 -6.276 -20.927 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.597 -6.328 -20.201 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.705 -5.046 -20.996 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.194 -6.718 -22.507 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.618 -6.230 -23.098 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.427 -8.847 -21.804 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.262 -8.576 -23.085 1.00 0.00 H new ATOM 451 N CYS A 32 -8.727 -7.754 -18.253 1.00 0.00 N ATOM 452 CA CYS A 32 -8.415 -7.842 -16.821 1.00 0.00 C ATOM 453 C CYS A 32 -6.909 -7.990 -16.578 1.00 0.00 C ATOM 454 O CYS A 32 -6.371 -7.425 -15.625 1.00 0.00 O ATOM 455 CB CYS A 32 -9.127 -9.038 -16.173 1.00 0.00 C ATOM 456 SG CYS A 32 -10.922 -8.797 -16.117 1.00 0.00 S ATOM 0 H CYS A 32 -9.338 -8.496 -18.594 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.764 -6.913 -16.371 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.899 -9.945 -16.733 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.747 -9.184 -15.162 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.421 -8.978 -17.303 1.00 0.00 H new ATOM 462 N LYS A 33 -6.214 -8.743 -17.431 1.00 0.00 N ATOM 463 CA LYS A 33 -4.767 -8.909 -17.339 1.00 0.00 C ATOM 464 C LYS A 33 -4.064 -7.684 -17.916 1.00 0.00 C ATOM 465 O LYS A 33 -3.032 -7.286 -17.383 1.00 0.00 O ATOM 466 CB LYS A 33 -4.350 -10.208 -18.046 1.00 0.00 C ATOM 467 CG LYS A 33 -4.903 -11.432 -17.287 1.00 0.00 C ATOM 468 CD LYS A 33 -4.745 -12.757 -18.040 1.00 0.00 C ATOM 469 CE LYS A 33 -5.607 -12.778 -19.311 1.00 0.00 C ATOM 470 NZ LYS A 33 -5.813 -14.159 -19.812 1.00 0.00 N ATOM 0 H LYS A 33 -6.640 -9.254 -18.204 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.466 -8.992 -16.295 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.722 -10.208 -19.070 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.263 -10.267 -18.102 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.396 -11.510 -16.325 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.960 -11.269 -17.077 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.698 -12.906 -18.305 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.030 -13.584 -17.390 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.573 -12.319 -19.103 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.129 -12.178 -20.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.172 -14.124 -20.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.909 -14.673 -19.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.503 -14.649 -19.207 1.00 0.00 H new ATOM 484 N MET A 34 -4.623 -7.037 -18.944 1.00 0.00 N ATOM 485 CA MET A 34 -4.035 -5.827 -19.521 1.00 0.00 C ATOM 486 C MET A 34 -4.046 -4.669 -18.522 1.00 0.00 C ATOM 487 O MET A 34 -3.078 -3.913 -18.468 1.00 0.00 O ATOM 488 CB MET A 34 -4.759 -5.407 -20.809 1.00 0.00 C ATOM 489 CG MET A 34 -4.685 -6.476 -21.903 1.00 0.00 C ATOM 490 SD MET A 34 -3.017 -6.824 -22.529 1.00 0.00 S ATOM 491 CE MET A 34 -3.412 -8.152 -23.697 1.00 0.00 C ATOM 0 H MET A 34 -5.488 -7.335 -19.395 1.00 0.00 H new ATOM 0 HA MET A 34 -3.000 -6.067 -19.766 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.804 -5.197 -20.582 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.322 -4.481 -21.181 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.111 -7.401 -21.514 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.312 -6.163 -22.738 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.498 -8.494 -24.182 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.872 -8.983 -23.162 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.105 -7.779 -24.451 1.00 0.00 H new ATOM 501 N ILE A 35 -5.110 -4.515 -17.721 1.00 0.00 N ATOM 502 CA ILE A 35 -5.183 -3.442 -16.727 1.00 0.00 C ATOM 503 C ILE A 35 -4.350 -3.778 -15.476 1.00 0.00 C ATOM 504 O ILE A 35 -4.052 -2.880 -14.691 1.00 0.00 O ATOM 505 CB ILE A 35 -6.660 -3.072 -16.438 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.760 -1.657 -15.823 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.389 -4.126 -15.590 1.00 0.00 C ATOM 508 CD1 ILE A 35 -8.197 -1.156 -15.636 1.00 0.00 C ATOM 0 H ILE A 35 -5.930 -5.121 -17.744 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.724 -2.540 -17.132 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.180 -3.060 -17.396 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.258 -1.657 -14.856 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.222 -0.956 -16.462 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.418 -3.809 -15.422 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.384 -5.082 -16.114 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.882 -4.236 -14.631 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.180 -0.157 -15.200 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.699 -1.121 -16.603 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.735 -1.833 -14.972 1.00 0.00 H new ATOM 520 N ALA A 36 -3.933 -5.037 -15.280 1.00 0.00 N ATOM 521 CA ALA A 36 -3.177 -5.444 -14.095 1.00 0.00 C ATOM 522 C ALA A 36 -1.899 -4.614 -13.865 1.00 0.00 C ATOM 523 O ALA A 36 -1.756 -4.086 -12.761 1.00 0.00 O ATOM 524 CB ALA A 36 -2.893 -6.951 -14.112 1.00 0.00 C ATOM 0 H ALA A 36 -4.111 -5.796 -15.937 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.814 -5.232 -13.236 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.330 -7.225 -13.220 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.835 -7.499 -14.129 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.312 -7.202 -14.999 1.00 0.00 H new ATOM 530 N PRO A 37 -0.999 -4.400 -14.849 1.00 0.00 N ATOM 531 CA PRO A 37 0.162 -3.541 -14.638 1.00 0.00 C ATOM 532 C PRO A 37 -0.231 -2.082 -14.370 1.00 0.00 C ATOM 533 O PRO A 37 0.488 -1.389 -13.656 1.00 0.00 O ATOM 534 CB PRO A 37 1.037 -3.685 -15.888 1.00 0.00 C ATOM 535 CG PRO A 37 0.068 -4.180 -16.958 1.00 0.00 C ATOM 536 CD PRO A 37 -0.913 -5.031 -16.157 1.00 0.00 C ATOM 0 HA PRO A 37 0.708 -3.846 -13.745 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.492 -2.735 -16.169 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.850 -4.393 -15.727 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.432 -3.354 -17.464 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.576 -4.763 -17.726 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.889 -5.065 -16.641 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.563 -6.060 -16.074 1.00 0.00 H new ATOM 544 N VAL A 38 -1.367 -1.606 -14.888 1.00 0.00 N ATOM 545 CA VAL A 38 -1.849 -0.256 -14.621 1.00 0.00 C ATOM 546 C VAL A 38 -2.271 -0.145 -13.146 1.00 0.00 C ATOM 547 O VAL A 38 -1.984 0.854 -12.488 1.00 0.00 O ATOM 548 CB VAL A 38 -2.996 0.118 -15.588 1.00 0.00 C ATOM 549 CG1 VAL A 38 -3.188 1.637 -15.594 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.733 -0.318 -17.043 1.00 0.00 C ATOM 0 H VAL A 38 -1.974 -2.148 -15.503 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.046 0.460 -14.797 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.880 -0.407 -15.226 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.997 1.899 -16.276 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.437 1.976 -14.589 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.267 2.119 -15.922 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.576 -0.025 -17.669 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.826 0.163 -17.409 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.611 -1.400 -17.082 1.00 0.00 H new ATOM 560 N LEU A 39 -2.906 -1.184 -12.597 1.00 0.00 N ATOM 561 CA LEU A 39 -3.251 -1.240 -11.183 1.00 0.00 C ATOM 562 C LEU A 39 -1.991 -1.345 -10.325 1.00 0.00 C ATOM 563 O LEU A 39 -1.953 -0.751 -9.253 1.00 0.00 O ATOM 564 CB LEU A 39 -4.215 -2.406 -10.910 1.00 0.00 C ATOM 565 CG LEU A 39 -5.623 -2.153 -11.488 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.394 -3.469 -11.578 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.421 -1.163 -10.630 1.00 0.00 C ATOM 0 H LEU A 39 -3.193 -2.008 -13.125 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.760 -0.315 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.807 -3.320 -11.342 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.290 -2.567 -9.835 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.496 -1.722 -12.481 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.387 -3.282 -11.987 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.858 -4.161 -12.228 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.488 -3.905 -10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.406 -1.012 -11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.532 -1.562 -9.622 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.893 -0.211 -10.587 1.00 0.00 H new ATOM 579 N GLU A 40 -0.946 -2.040 -10.782 1.00 0.00 N ATOM 580 CA GLU A 40 0.335 -2.071 -10.081 1.00 0.00 C ATOM 581 C GLU A 40 1.033 -0.706 -10.128 1.00 0.00 C ATOM 582 O GLU A 40 1.700 -0.321 -9.166 1.00 0.00 O ATOM 583 CB GLU A 40 1.249 -3.174 -10.636 1.00 0.00 C ATOM 584 CG GLU A 40 0.752 -4.576 -10.254 1.00 0.00 C ATOM 585 CD GLU A 40 1.714 -5.669 -10.754 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.665 -6.029 -10.023 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.521 -6.197 -11.873 1.00 0.00 O ATOM 0 H GLU A 40 -0.965 -2.591 -11.640 1.00 0.00 H new ATOM 0 HA GLU A 40 0.128 -2.302 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.301 -3.090 -11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.261 -3.032 -10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.652 -4.645 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.239 -4.740 -10.677 1.00 0.00 H new ATOM 594 N GLU A 41 0.887 0.059 -11.211 1.00 0.00 N ATOM 595 CA GLU A 41 1.352 1.439 -11.262 1.00 0.00 C ATOM 596 C GLU A 41 0.607 2.269 -10.219 1.00 0.00 C ATOM 597 O GLU A 41 1.246 2.986 -9.455 1.00 0.00 O ATOM 598 CB GLU A 41 1.215 2.035 -12.672 1.00 0.00 C ATOM 599 CG GLU A 41 2.334 1.581 -13.621 1.00 0.00 C ATOM 600 CD GLU A 41 3.712 2.100 -13.183 1.00 0.00 C ATOM 601 OE1 GLU A 41 3.926 3.334 -13.214 1.00 0.00 O ATOM 602 OE2 GLU A 41 4.574 1.273 -12.804 1.00 0.00 O ATOM 0 H GLU A 41 0.445 -0.262 -12.072 1.00 0.00 H new ATOM 0 HA GLU A 41 2.416 1.458 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.251 1.748 -13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.222 3.123 -12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.354 0.492 -13.662 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.118 1.934 -14.629 1.00 0.00 H new ATOM 609 N LEU A 42 -0.716 2.133 -10.114 1.00 0.00 N ATOM 610 CA LEU A 42 -1.479 2.831 -9.086 1.00 0.00 C ATOM 611 C LEU A 42 -1.083 2.375 -7.682 1.00 0.00 C ATOM 612 O LEU A 42 -1.053 3.196 -6.771 1.00 0.00 O ATOM 613 CB LEU A 42 -2.989 2.655 -9.304 1.00 0.00 C ATOM 614 CG LEU A 42 -3.683 3.856 -9.973 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.690 5.090 -9.062 1.00 0.00 C ATOM 616 CD2 LEU A 42 -3.073 4.211 -11.337 1.00 0.00 C ATOM 0 H LEU A 42 -1.278 1.545 -10.730 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.240 3.891 -9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.154 1.769 -9.917 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.463 2.468 -8.340 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.713 3.544 -10.144 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.188 5.915 -9.571 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.222 4.858 -8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.664 5.375 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.602 5.064 -11.761 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.020 4.463 -11.210 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.163 3.358 -12.009 1.00 0.00 H new ATOM 628 N ASP A 43 -0.754 1.100 -7.485 1.00 0.00 N ATOM 629 CA ASP A 43 -0.305 0.595 -6.190 1.00 0.00 C ATOM 630 C ASP A 43 1.049 1.200 -5.803 1.00 0.00 C ATOM 631 O ASP A 43 1.282 1.510 -4.634 1.00 0.00 O ATOM 632 CB ASP A 43 -0.207 -0.933 -6.180 1.00 0.00 C ATOM 633 CG ASP A 43 0.418 -1.411 -4.864 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.199 -1.234 -3.790 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.562 -1.912 -4.887 1.00 0.00 O ATOM 0 H ASP A 43 -0.791 0.390 -8.216 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.053 0.896 -5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.198 -1.370 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.396 -1.272 -7.022 1.00 0.00 H new ATOM 640 N GLN A 44 1.941 1.407 -6.773 1.00 0.00 N ATOM 641 CA GLN A 44 3.217 2.065 -6.538 1.00 0.00 C ATOM 642 C GLN A 44 3.017 3.555 -6.237 1.00 0.00 C ATOM 643 O GLN A 44 3.630 4.097 -5.318 1.00 0.00 O ATOM 644 CB GLN A 44 4.104 1.893 -7.777 1.00 0.00 C ATOM 645 CG GLN A 44 4.694 0.482 -7.919 1.00 0.00 C ATOM 646 CD GLN A 44 5.256 0.310 -9.329 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.441 0.512 -9.584 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.395 -0.010 -10.278 1.00 0.00 N ATOM 0 H GLN A 44 1.795 1.122 -7.741 1.00 0.00 H new ATOM 0 HA GLN A 44 3.697 1.609 -5.672 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.519 2.125 -8.667 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.919 2.616 -7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.481 0.328 -7.180 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.926 -0.267 -7.727 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.416 -0.173 -10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.709 -0.094 -11.245 1.00 0.00 H new ATOM 657 N GLU A 45 2.167 4.219 -7.022 1.00 0.00 N ATOM 658 CA GLU A 45 2.021 5.672 -7.022 1.00 0.00 C ATOM 659 C GLU A 45 1.124 6.162 -5.879 1.00 0.00 C ATOM 660 O GLU A 45 1.355 7.247 -5.342 1.00 0.00 O ATOM 661 CB GLU A 45 1.423 6.110 -8.371 1.00 0.00 C ATOM 662 CG GLU A 45 2.366 5.911 -9.572 1.00 0.00 C ATOM 663 CD GLU A 45 3.390 7.038 -9.785 1.00 0.00 C ATOM 664 OE1 GLU A 45 3.936 7.602 -8.810 1.00 0.00 O ATOM 665 OE2 GLU A 45 3.680 7.342 -10.966 1.00 0.00 O ATOM 0 H GLU A 45 1.551 3.752 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 45 3.007 6.113 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.504 5.550 -8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.148 7.163 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.903 4.972 -9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.764 5.811 -10.475 1.00 0.00 H new ATOM 672 N MET A 46 0.106 5.379 -5.503 1.00 0.00 N ATOM 673 CA MET A 46 -0.965 5.790 -4.597 1.00 0.00 C ATOM 674 C MET A 46 -1.379 4.682 -3.622 1.00 0.00 C ATOM 675 O MET A 46 -2.220 4.955 -2.767 1.00 0.00 O ATOM 676 CB MET A 46 -2.205 6.241 -5.400 1.00 0.00 C ATOM 677 CG MET A 46 -1.917 7.408 -6.345 1.00 0.00 C ATOM 678 SD MET A 46 -3.371 8.131 -7.146 1.00 0.00 S ATOM 679 CE MET A 46 -2.568 9.524 -7.978 1.00 0.00 C ATOM 0 H MET A 46 0.005 4.418 -5.830 1.00 0.00 H new ATOM 0 HA MET A 46 -0.569 6.619 -4.011 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.582 5.398 -5.979 1.00 0.00 H new ATOM 0 HB3 MET A 46 -2.994 6.530 -4.706 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.405 8.190 -5.785 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.229 7.067 -7.118 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.313 10.096 -8.531 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.095 10.167 -7.236 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.812 9.149 -8.668 1.00 0.00 H new ATOM 689 N GLY A 47 -0.815 3.469 -3.698 1.00 0.00 N ATOM 690 CA GLY A 47 -1.213 2.289 -2.919 1.00 0.00 C ATOM 691 C GLY A 47 -0.758 2.339 -1.461 1.00 0.00 C ATOM 692 O GLY A 47 -0.157 1.393 -0.957 1.00 0.00 O ATOM 0 H GLY A 47 -0.038 3.275 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.298 2.193 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.800 1.397 -3.390 1.00 0.00 H new ATOM 696 N ASP A 48 -0.994 3.473 -0.815 1.00 0.00 N ATOM 697 CA ASP A 48 -0.869 3.760 0.603 1.00 0.00 C ATOM 698 C ASP A 48 -1.893 4.850 0.936 1.00 0.00 C ATOM 699 O ASP A 48 -2.601 4.760 1.939 1.00 0.00 O ATOM 700 CB ASP A 48 0.542 4.259 0.929 1.00 0.00 C ATOM 701 CG ASP A 48 0.628 4.719 2.394 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.633 3.861 3.303 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.703 5.943 2.641 1.00 0.00 O ATOM 0 H ASP A 48 -1.310 4.297 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.048 2.859 1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.266 3.464 0.749 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.804 5.084 0.267 1.00 0.00 H new ATOM 708 N LYS A 49 -2.032 5.841 0.040 1.00 0.00 N ATOM 709 CA LYS A 49 -3.107 6.828 0.060 1.00 0.00 C ATOM 710 C LYS A 49 -4.464 6.149 -0.147 1.00 0.00 C ATOM 711 O LYS A 49 -5.459 6.596 0.425 1.00 0.00 O ATOM 712 CB LYS A 49 -2.884 7.893 -1.031 1.00 0.00 C ATOM 713 CG LYS A 49 -1.559 8.659 -0.875 1.00 0.00 C ATOM 714 CD LYS A 49 -1.422 9.739 -1.961 1.00 0.00 C ATOM 715 CE LYS A 49 -0.058 10.449 -1.920 1.00 0.00 C ATOM 716 NZ LYS A 49 0.133 11.279 -0.703 1.00 0.00 N ATOM 0 H LYS A 49 -1.381 5.975 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.102 7.315 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.904 7.411 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.711 8.603 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.515 9.121 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.722 7.964 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.561 9.283 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.215 10.476 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.735 9.703 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.042 11.081 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.069 11.731 -0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.604 12.012 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.067 10.676 0.142 1.00 0.00 H new ATOM 730 N LEU A 50 -4.502 5.065 -0.928 1.00 0.00 N ATOM 731 CA LEU A 50 -5.652 4.203 -1.125 1.00 0.00 C ATOM 732 C LEU A 50 -5.228 2.734 -1.062 1.00 0.00 C ATOM 733 O LEU A 50 -4.053 2.412 -1.239 1.00 0.00 O ATOM 734 CB LEU A 50 -6.398 4.577 -2.425 1.00 0.00 C ATOM 735 CG LEU A 50 -6.203 3.697 -3.681 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.299 4.042 -4.690 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.840 3.888 -4.341 1.00 0.00 C ATOM 0 H LEU A 50 -3.689 4.758 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.367 4.354 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.464 4.596 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.110 5.595 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.260 2.656 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.177 3.430 -5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.276 3.847 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.227 5.096 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.766 3.243 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.726 4.928 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.053 3.630 -3.632 1.00 0.00 H new ATOM 749 N LYS A 51 -6.194 1.847 -0.834 1.00 0.00 N ATOM 750 CA LYS A 51 -6.032 0.394 -0.903 1.00 0.00 C ATOM 751 C LYS A 51 -6.548 -0.073 -2.270 1.00 0.00 C ATOM 752 O LYS A 51 -7.471 0.545 -2.800 1.00 0.00 O ATOM 753 CB LYS A 51 -6.845 -0.200 0.261 1.00 0.00 C ATOM 754 CG LYS A 51 -6.731 -1.721 0.433 1.00 0.00 C ATOM 755 CD LYS A 51 -7.740 -2.266 1.457 1.00 0.00 C ATOM 756 CE LYS A 51 -7.566 -1.693 2.874 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.486 -2.362 3.818 1.00 0.00 N ATOM 0 H LYS A 51 -7.143 2.128 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.995 0.072 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.526 0.279 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.895 0.055 0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.894 -2.207 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.720 -1.974 0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.749 -2.047 1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.647 -3.351 1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.536 -1.828 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.760 -0.620 2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.221 -2.117 4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.460 -2.048 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.424 -3.392 3.691 1.00 0.00 H new ATOM 771 N ILE A 52 -6.021 -1.169 -2.822 1.00 0.00 N ATOM 772 CA ILE A 52 -6.520 -1.775 -4.059 1.00 0.00 C ATOM 773 C ILE A 52 -6.885 -3.211 -3.701 1.00 0.00 C ATOM 774 O ILE A 52 -6.084 -3.878 -3.046 1.00 0.00 O ATOM 775 CB ILE A 52 -5.471 -1.687 -5.197 1.00 0.00 C ATOM 776 CG1 ILE A 52 -5.067 -0.210 -5.428 1.00 0.00 C ATOM 777 CG2 ILE A 52 -5.994 -2.356 -6.491 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.228 0.057 -6.680 1.00 0.00 C ATOM 0 H ILE A 52 -5.227 -1.666 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.391 -1.247 -4.446 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.578 -2.237 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.974 0.392 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.509 0.136 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.237 -2.279 -7.272 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.209 -3.407 -6.296 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.905 -1.854 -6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.001 1.121 -6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.299 -0.510 -6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.786 -0.250 -7.564 1.00 0.00 H new ATOM 790 N VAL A 53 -8.057 -3.697 -4.123 1.00 0.00 N ATOM 791 CA VAL A 53 -8.543 -5.034 -3.784 1.00 0.00 C ATOM 792 C VAL A 53 -8.953 -5.770 -5.063 1.00 0.00 C ATOM 793 O VAL A 53 -9.882 -5.360 -5.762 1.00 0.00 O ATOM 794 CB VAL A 53 -9.724 -4.954 -2.785 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.025 -6.330 -2.177 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.490 -3.972 -1.628 1.00 0.00 C ATOM 0 H VAL A 53 -8.698 -3.168 -4.714 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.741 -5.591 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.565 -4.592 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.858 -6.245 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.286 -7.029 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.144 -6.694 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.359 -3.971 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.609 -4.278 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.335 -2.970 -2.027 1.00 0.00 H new ATOM 806 N LYS A 54 -8.264 -6.863 -5.386 1.00 0.00 N ATOM 807 CA LYS A 54 -8.694 -7.785 -6.433 1.00 0.00 C ATOM 808 C LYS A 54 -9.853 -8.607 -5.894 1.00 0.00 C ATOM 809 O LYS A 54 -9.803 -9.043 -4.739 1.00 0.00 O ATOM 810 CB LYS A 54 -7.536 -8.727 -6.794 1.00 0.00 C ATOM 811 CG LYS A 54 -6.392 -8.046 -7.539 1.00 0.00 C ATOM 812 CD LYS A 54 -6.839 -7.618 -8.936 1.00 0.00 C ATOM 813 CE LYS A 54 -5.639 -7.093 -9.716 1.00 0.00 C ATOM 814 NZ LYS A 54 -5.932 -7.050 -11.169 1.00 0.00 N ATOM 0 H LYS A 54 -7.393 -7.133 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.997 -7.230 -7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.146 -9.173 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.921 -9.542 -7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.052 -7.176 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.544 -8.727 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.286 -8.462 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.605 -6.846 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.379 -6.095 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.774 -7.731 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.174 -6.536 -11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.990 -8.020 -11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.838 -6.564 -11.326 1.00 0.00 H new ATOM 828 N ILE A 55 -10.860 -8.866 -6.725 1.00 0.00 N ATOM 829 CA ILE A 55 -12.009 -9.659 -6.318 1.00 0.00 C ATOM 830 C ILE A 55 -12.572 -10.374 -7.562 1.00 0.00 C ATOM 831 O ILE A 55 -12.796 -9.753 -8.601 1.00 0.00 O ATOM 832 CB ILE A 55 -12.961 -8.733 -5.514 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.217 -9.490 -5.076 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.347 -7.422 -6.231 1.00 0.00 C ATOM 835 CD1 ILE A 55 -14.900 -8.896 -3.839 1.00 0.00 C ATOM 0 H ILE A 55 -10.900 -8.534 -7.689 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.782 -10.476 -5.633 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.386 -8.429 -4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.929 -9.502 -5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.951 -10.527 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.013 -6.841 -5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.447 -6.843 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.853 -7.655 -7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -15.782 -9.487 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.206 -8.909 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.199 -7.869 -4.047 1.00 0.00 H new ATOM 847 N ASP A 56 -12.719 -11.703 -7.507 1.00 0.00 N ATOM 848 CA ASP A 56 -13.016 -12.527 -8.690 1.00 0.00 C ATOM 849 C ASP A 56 -14.514 -12.803 -8.783 1.00 0.00 C ATOM 850 O ASP A 56 -15.106 -13.298 -7.818 1.00 0.00 O ATOM 851 CB ASP A 56 -12.243 -13.847 -8.623 1.00 0.00 C ATOM 852 CG ASP A 56 -12.413 -14.670 -9.913 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.552 -15.067 -10.246 1.00 0.00 O ATOM 854 OD2 ASP A 56 -11.389 -14.938 -10.580 1.00 0.00 O ATOM 0 H ASP A 56 -12.636 -12.239 -6.643 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.705 -11.980 -9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.185 -13.642 -8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.591 -14.430 -7.770 1.00 0.00 H new ATOM 859 N VAL A 57 -15.150 -12.456 -9.906 1.00 0.00 N ATOM 860 CA VAL A 57 -16.610 -12.509 -10.055 1.00 0.00 C ATOM 861 C VAL A 57 -17.216 -13.908 -9.903 1.00 0.00 C ATOM 862 O VAL A 57 -18.391 -14.001 -9.553 1.00 0.00 O ATOM 863 CB VAL A 57 -17.073 -11.816 -11.352 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.797 -10.307 -11.266 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.442 -12.405 -12.621 1.00 0.00 C ATOM 0 H VAL A 57 -14.666 -12.129 -10.742 1.00 0.00 H new ATOM 0 HA VAL A 57 -17.004 -11.945 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.145 -11.995 -11.437 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.127 -9.824 -12.186 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.340 -9.885 -10.420 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.728 -10.140 -11.131 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.813 -11.869 -13.494 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.358 -12.306 -12.568 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.706 -13.459 -12.703 1.00 0.00 H new ATOM 875 N ASP A 58 -16.460 -14.991 -10.109 1.00 0.00 N ATOM 876 CA ASP A 58 -16.984 -16.339 -9.876 1.00 0.00 C ATOM 877 C ASP A 58 -17.105 -16.623 -8.376 1.00 0.00 C ATOM 878 O ASP A 58 -17.977 -17.380 -7.950 1.00 0.00 O ATOM 879 CB ASP A 58 -16.081 -17.392 -10.526 1.00 0.00 C ATOM 880 CG ASP A 58 -16.633 -18.811 -10.303 1.00 0.00 C ATOM 881 OD1 ASP A 58 -17.678 -19.158 -10.898 1.00 0.00 O ATOM 882 OD2 ASP A 58 -15.999 -19.606 -9.572 1.00 0.00 O ATOM 0 H ASP A 58 -15.493 -14.961 -10.433 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.974 -16.393 -10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.999 -17.195 -11.595 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.076 -17.320 -10.110 1.00 0.00 H new ATOM 887 N GLU A 59 -16.250 -15.990 -7.568 1.00 0.00 N ATOM 888 CA GLU A 59 -16.100 -16.269 -6.143 1.00 0.00 C ATOM 889 C GLU A 59 -16.993 -15.353 -5.304 1.00 0.00 C ATOM 890 O GLU A 59 -17.538 -15.782 -4.288 1.00 0.00 O ATOM 891 CB GLU A 59 -14.634 -16.074 -5.724 1.00 0.00 C ATOM 892 CG GLU A 59 -13.706 -17.106 -6.387 1.00 0.00 C ATOM 893 CD GLU A 59 -12.306 -17.128 -5.742 1.00 0.00 C ATOM 894 OE1 GLU A 59 -12.141 -17.741 -4.663 1.00 0.00 O ATOM 895 OE2 GLU A 59 -11.348 -16.576 -6.326 1.00 0.00 O ATOM 0 H GLU A 59 -15.629 -15.251 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.401 -17.302 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.310 -15.069 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.552 -16.156 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.154 -18.097 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.612 -16.878 -7.449 1.00 0.00 H new ATOM 902 N ASN A 60 -17.187 -14.113 -5.759 1.00 0.00 N ATOM 903 CA ASN A 60 -17.959 -13.075 -5.070 1.00 0.00 C ATOM 904 C ASN A 60 -19.229 -12.755 -5.865 1.00 0.00 C ATOM 905 O ASN A 60 -19.685 -11.622 -5.918 1.00 0.00 O ATOM 906 CB ASN A 60 -17.078 -11.844 -4.762 1.00 0.00 C ATOM 907 CG ASN A 60 -17.077 -10.782 -5.858 1.00 0.00 C ATOM 908 OD1 ASN A 60 -17.573 -9.679 -5.688 1.00 0.00 O ATOM 909 ND2 ASN A 60 -16.484 -11.070 -6.998 1.00 0.00 N ATOM 0 H ASN A 60 -16.799 -13.793 -6.646 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.289 -13.441 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -17.421 -11.390 -3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -16.054 -12.178 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -16.439 -10.372 -7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -16.070 -11.991 -7.139 1.00 0.00 H new ATOM 916 N GLN A 61 -19.804 -13.757 -6.524 1.00 0.00 N ATOM 917 CA GLN A 61 -20.954 -13.612 -7.412 1.00 0.00 C ATOM 918 C GLN A 61 -22.103 -12.840 -6.741 1.00 0.00 C ATOM 919 O GLN A 61 -22.708 -11.963 -7.358 1.00 0.00 O ATOM 920 CB GLN A 61 -21.355 -14.991 -7.975 1.00 0.00 C ATOM 921 CG GLN A 61 -21.930 -16.014 -6.976 1.00 0.00 C ATOM 922 CD GLN A 61 -21.052 -16.249 -5.743 1.00 0.00 C ATOM 923 OE1 GLN A 61 -21.378 -15.801 -4.649 1.00 0.00 O ATOM 924 NE2 GLN A 61 -19.875 -16.837 -5.884 1.00 0.00 N ATOM 0 H GLN A 61 -19.474 -14.719 -6.453 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.678 -12.994 -8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.093 -14.834 -8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.477 -15.433 -8.445 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.912 -15.673 -6.649 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.077 -16.964 -7.490 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -19.598 -17.212 -6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.245 -16.915 -5.086 1.00 0.00 H new ATOM 933 N GLU A 62 -22.341 -13.106 -5.454 1.00 0.00 N ATOM 934 CA GLU A 62 -23.301 -12.386 -4.632 1.00 0.00 C ATOM 935 C GLU A 62 -22.890 -10.918 -4.434 1.00 0.00 C ATOM 936 O GLU A 62 -23.705 -10.018 -4.633 1.00 0.00 O ATOM 937 CB GLU A 62 -23.422 -13.105 -3.277 1.00 0.00 C ATOM 938 CG GLU A 62 -24.354 -14.323 -3.365 1.00 0.00 C ATOM 939 CD GLU A 62 -24.539 -14.999 -1.993 1.00 0.00 C ATOM 940 OE1 GLU A 62 -25.437 -14.586 -1.224 1.00 0.00 O ATOM 941 OE2 GLU A 62 -23.813 -15.968 -1.675 1.00 0.00 O ATOM 0 H GLU A 62 -21.856 -13.847 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 62 -24.267 -12.378 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.434 -13.425 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.801 -12.410 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.325 -14.011 -3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.945 -15.043 -4.074 1.00 0.00 H new ATOM 948 N THR A 63 -21.637 -10.658 -4.058 1.00 0.00 N ATOM 949 CA THR A 63 -21.140 -9.321 -3.752 1.00 0.00 C ATOM 950 C THR A 63 -21.083 -8.461 -5.013 1.00 0.00 C ATOM 951 O THR A 63 -21.481 -7.305 -4.974 1.00 0.00 O ATOM 952 CB THR A 63 -19.753 -9.392 -3.094 1.00 0.00 C ATOM 953 OG1 THR A 63 -19.524 -10.669 -2.543 1.00 0.00 O ATOM 954 CG2 THR A 63 -19.547 -8.342 -2.001 1.00 0.00 C ATOM 0 H THR A 63 -20.929 -11.385 -3.957 1.00 0.00 H new ATOM 0 HA THR A 63 -21.833 -8.859 -3.049 1.00 0.00 H new ATOM 0 HB THR A 63 -19.039 -9.188 -3.892 1.00 0.00 H new ATOM 0 HG1 THR A 63 -20.209 -10.862 -1.869 1.00 0.00 H new ATOM 0 HG21 THR A 63 -18.548 -8.448 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 63 -19.656 -7.345 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 63 -20.290 -8.483 -1.216 1.00 0.00 H new ATOM 962 N ALA A 64 -20.662 -9.009 -6.150 1.00 0.00 N ATOM 963 CA ALA A 64 -20.681 -8.299 -7.416 1.00 0.00 C ATOM 964 C ALA A 64 -22.130 -7.941 -7.774 1.00 0.00 C ATOM 965 O ALA A 64 -22.421 -6.792 -8.116 1.00 0.00 O ATOM 966 CB ALA A 64 -20.004 -9.175 -8.475 1.00 0.00 C ATOM 0 H ALA A 64 -20.298 -9.960 -6.214 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.127 -7.362 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.009 -8.656 -9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.975 -9.376 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.545 -10.116 -8.569 1.00 0.00 H new ATOM 972 N GLY A 65 -23.061 -8.881 -7.578 1.00 0.00 N ATOM 973 CA GLY A 65 -24.494 -8.649 -7.714 1.00 0.00 C ATOM 974 C GLY A 65 -25.011 -7.523 -6.809 1.00 0.00 C ATOM 975 O GLY A 65 -25.962 -6.836 -7.183 1.00 0.00 O ATOM 0 H GLY A 65 -22.831 -9.839 -7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.719 -8.405 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -25.029 -9.570 -7.480 1.00 0.00 H new ATOM 979 N LYS A 66 -24.359 -7.263 -5.667 1.00 0.00 N ATOM 980 CA LYS A 66 -24.702 -6.175 -4.740 1.00 0.00 C ATOM 981 C LYS A 66 -24.586 -4.802 -5.418 1.00 0.00 C ATOM 982 O LYS A 66 -25.233 -3.854 -4.974 1.00 0.00 O ATOM 983 CB LYS A 66 -23.792 -6.252 -3.496 1.00 0.00 C ATOM 984 CG LYS A 66 -24.421 -5.706 -2.206 1.00 0.00 C ATOM 985 CD LYS A 66 -23.426 -5.706 -1.028 1.00 0.00 C ATOM 986 CE LYS A 66 -22.819 -7.076 -0.657 1.00 0.00 C ATOM 987 NZ LYS A 66 -23.823 -8.038 -0.131 1.00 0.00 N ATOM 0 H LYS A 66 -23.561 -7.816 -5.355 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.741 -6.295 -4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -23.508 -7.292 -3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.875 -5.699 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.777 -4.690 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -25.291 -6.308 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.611 -5.022 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.933 -5.305 -0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -22.341 -7.505 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -22.039 -6.930 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -23.354 -8.937 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -24.263 -7.647 0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -24.555 -8.204 -0.851 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.810 -4.704 -6.503 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.591 -3.482 -7.275 1.00 0.00 C ATOM 1003 C TYR A 67 -24.050 -3.672 -8.734 1.00 0.00 C ATOM 1004 O TYR A 67 -23.768 -2.825 -9.583 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.106 -3.076 -7.192 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.451 -3.297 -5.840 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.746 -2.457 -4.749 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.590 -4.396 -5.665 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.198 -2.729 -3.481 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -20.046 -4.680 -4.404 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.355 -3.852 -3.300 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.859 -4.159 -2.068 1.00 0.00 O ATOM 0 H TYR A 67 -23.300 -5.504 -6.879 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.189 -2.675 -6.852 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -21.550 -3.637 -7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.019 -2.021 -7.452 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.393 -1.603 -4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.346 -5.026 -6.508 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.421 -2.081 -2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.392 -5.530 -4.276 1.00 0.00 H new ATOM 0 HH TYR A 67 -19.029 -4.671 -2.168 1.00 0.00 H new ATOM 1022 N GLY A 68 -24.739 -4.779 -9.041 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.191 -5.123 -10.386 1.00 0.00 C ATOM 1024 C GLY A 68 -24.045 -5.478 -11.339 1.00 0.00 C ATOM 1025 O GLY A 68 -24.203 -5.356 -12.555 1.00 0.00 O ATOM 0 H GLY A 68 -25.001 -5.473 -8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -25.879 -5.967 -10.326 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -25.751 -4.284 -10.799 1.00 0.00 H new ATOM 1029 N VAL A 69 -22.890 -5.891 -10.812 1.00 0.00 N ATOM 1030 CA VAL A 69 -21.710 -6.244 -11.592 1.00 0.00 C ATOM 1031 C VAL A 69 -21.775 -7.747 -11.879 1.00 0.00 C ATOM 1032 O VAL A 69 -21.879 -8.553 -10.956 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.440 -5.833 -10.810 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.144 -6.274 -11.511 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.388 -4.305 -10.646 1.00 0.00 C ATOM 0 H VAL A 69 -22.750 -5.990 -9.807 1.00 0.00 H new ATOM 0 HA VAL A 69 -21.675 -5.715 -12.545 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.503 -6.332 -9.843 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.285 -5.960 -10.919 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.137 -7.359 -11.613 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.091 -5.816 -12.499 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.490 -4.029 -10.094 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.369 -3.834 -11.629 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.268 -3.968 -10.099 1.00 0.00 H new ATOM 1045 N MET A 70 -21.692 -8.116 -13.159 1.00 0.00 N ATOM 1046 CA MET A 70 -21.522 -9.490 -13.645 1.00 0.00 C ATOM 1047 C MET A 70 -20.718 -9.473 -14.963 1.00 0.00 C ATOM 1048 O MET A 70 -20.839 -10.371 -15.799 1.00 0.00 O ATOM 1049 CB MET A 70 -22.896 -10.194 -13.761 1.00 0.00 C ATOM 1050 CG MET A 70 -23.236 -11.071 -12.546 1.00 0.00 C ATOM 1051 SD MET A 70 -22.152 -12.516 -12.298 1.00 0.00 S ATOM 1052 CE MET A 70 -21.182 -12.006 -10.849 1.00 0.00 C ATOM 0 H MET A 70 -21.743 -7.438 -13.919 1.00 0.00 H new ATOM 0 HA MET A 70 -20.945 -10.079 -12.931 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.673 -9.440 -13.884 1.00 0.00 H new ATOM 0 HB3 MET A 70 -22.905 -10.811 -14.659 1.00 0.00 H new ATOM 0 HG2 MET A 70 -23.198 -10.452 -11.650 1.00 0.00 H new ATOM 0 HG3 MET A 70 -24.263 -11.422 -12.648 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.541 -12.829 -10.532 1.00 0.00 H new ATOM 0 HE2 MET A 70 -20.566 -11.145 -11.108 1.00 0.00 H new ATOM 0 HE3 MET A 70 -21.856 -11.738 -10.036 1.00 0.00 H new ATOM 1062 N SER A 71 -19.879 -8.446 -15.146 1.00 0.00 N ATOM 1063 CA SER A 71 -19.039 -8.218 -16.309 1.00 0.00 C ATOM 1064 C SER A 71 -17.702 -7.677 -15.801 1.00 0.00 C ATOM 1065 O SER A 71 -17.652 -7.072 -14.725 1.00 0.00 O ATOM 1066 CB SER A 71 -19.712 -7.215 -17.260 1.00 0.00 C ATOM 1067 OG SER A 71 -21.022 -7.633 -17.622 1.00 0.00 O ATOM 0 H SER A 71 -19.768 -7.716 -14.442 1.00 0.00 H new ATOM 0 HA SER A 71 -18.885 -9.141 -16.868 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.761 -6.237 -16.782 1.00 0.00 H new ATOM 0 HB3 SER A 71 -19.105 -7.101 -18.158 1.00 0.00 H new ATOM 0 HG SER A 71 -21.421 -6.972 -18.225 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.620 -7.904 -16.549 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.256 -7.618 -16.115 1.00 0.00 C ATOM 1075 C ILE A 72 -14.405 -7.144 -17.308 1.00 0.00 C ATOM 1076 O ILE A 72 -14.730 -7.507 -18.443 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.621 -8.856 -15.430 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.293 -10.070 -16.330 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.405 -9.295 -14.185 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.466 -10.881 -16.894 1.00 0.00 C ATOM 0 H ILE A 72 -16.671 -8.298 -17.488 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.288 -6.815 -15.378 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.642 -8.479 -15.136 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.698 -9.712 -17.171 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.661 -10.749 -15.758 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -14.923 -10.165 -13.739 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.424 -8.480 -13.461 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.425 -9.552 -14.469 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.083 -11.699 -17.505 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.056 -11.287 -16.072 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.094 -10.234 -17.507 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.300 -6.402 -17.090 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.906 -5.796 -15.823 1.00 0.00 C ATOM 1094 C PRO A 73 -13.889 -4.686 -15.457 1.00 0.00 C ATOM 1095 O PRO A 73 -14.279 -3.888 -16.315 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.496 -5.237 -16.033 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.403 -5.012 -17.539 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.354 -6.050 -18.134 1.00 0.00 C ATOM 0 HA PRO A 73 -12.914 -6.517 -15.006 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.350 -4.308 -15.482 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.735 -5.936 -15.687 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.700 -3.999 -17.809 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.384 -5.152 -17.900 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.872 -5.646 -19.004 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.805 -6.929 -18.470 1.00 0.00 H new ATOM 1106 N THR A 74 -14.246 -4.615 -14.179 1.00 0.00 N ATOM 1107 CA THR A 74 -15.078 -3.558 -13.640 1.00 0.00 C ATOM 1108 C THR A 74 -14.352 -3.040 -12.407 1.00 0.00 C ATOM 1109 O THR A 74 -14.087 -3.785 -11.464 1.00 0.00 O ATOM 1110 CB THR A 74 -16.497 -4.076 -13.359 1.00 0.00 C ATOM 1111 OG1 THR A 74 -17.121 -4.433 -14.575 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.357 -3.013 -12.669 1.00 0.00 C ATOM 0 H THR A 74 -13.959 -5.303 -13.483 1.00 0.00 H new ATOM 0 HA THR A 74 -15.222 -2.737 -14.342 1.00 0.00 H new ATOM 0 HB THR A 74 -16.408 -4.940 -12.701 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.176 -5.409 -14.640 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.354 -3.414 -12.486 1.00 0.00 H new ATOM 0 HG22 THR A 74 -16.898 -2.733 -11.721 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.432 -2.134 -13.309 1.00 0.00 H new ATOM 1120 N LEU A 75 -13.978 -1.765 -12.445 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.374 -1.103 -11.308 1.00 0.00 C ATOM 1122 C LEU A 75 -14.501 -0.494 -10.493 1.00 0.00 C ATOM 1123 O LEU A 75 -15.464 0.035 -11.049 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.381 -0.014 -11.740 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.173 -0.519 -12.552 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.214 0.652 -12.786 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.419 -1.664 -11.871 1.00 0.00 C ATOM 0 H LEU A 75 -14.087 -1.168 -13.265 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.806 -1.826 -10.722 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.914 0.728 -12.334 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.013 0.495 -10.849 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.557 -0.914 -13.492 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.354 0.308 -13.360 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.728 1.439 -13.338 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.877 1.044 -11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.581 -1.971 -12.497 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.046 -1.329 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.093 -2.509 -11.727 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.343 -0.509 -9.177 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.198 0.204 -8.241 1.00 0.00 C ATOM 1141 C LEU A 76 -14.283 1.084 -7.408 1.00 0.00 C ATOM 1142 O LEU A 76 -13.110 0.762 -7.212 1.00 0.00 O ATOM 1143 CB LEU A 76 -15.962 -0.771 -7.319 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.471 -0.861 -7.606 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -17.760 -1.653 -8.885 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -18.202 -1.520 -6.430 1.00 0.00 C ATOM 0 H LEU A 76 -13.596 -1.032 -8.719 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.945 0.786 -8.780 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.525 -1.765 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -15.819 -0.462 -6.284 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.833 0.158 -7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -18.836 -1.694 -9.052 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.279 -1.164 -9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.370 -2.666 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.268 -1.576 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -17.810 -2.525 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -18.048 -0.928 -5.528 1.00 0.00 H new ATOM 1158 N VAL A 77 -14.841 2.152 -6.856 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.189 2.957 -5.846 1.00 0.00 C ATOM 1160 C VAL A 77 -15.193 3.008 -4.710 1.00 0.00 C ATOM 1161 O VAL A 77 -16.372 3.315 -4.924 1.00 0.00 O ATOM 1162 CB VAL A 77 -13.828 4.355 -6.373 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -13.213 5.193 -5.247 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -12.848 4.316 -7.562 1.00 0.00 C ATOM 0 H VAL A 77 -15.773 2.484 -7.104 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.235 2.537 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.756 4.804 -6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.959 6.183 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.930 5.290 -4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.311 4.703 -4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.632 5.333 -7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.922 3.829 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.296 3.758 -8.384 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.708 2.715 -3.511 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.431 2.766 -2.262 1.00 0.00 C ATOM 1176 C LEU A 78 -14.605 3.628 -1.311 1.00 0.00 C ATOM 1177 O LEU A 78 -13.392 3.775 -1.485 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.663 1.355 -1.678 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.372 0.362 -2.630 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.376 -0.498 -3.423 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.321 -0.565 -1.861 1.00 0.00 C ATOM 0 H LEU A 78 -13.740 2.418 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.422 3.193 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.700 0.934 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.255 1.448 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.941 0.972 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.922 -1.178 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.736 0.148 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.762 -1.074 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.804 -1.251 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.755 -1.135 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -18.080 0.031 -1.354 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.247 4.217 -0.307 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.591 5.110 0.635 1.00 0.00 C ATOM 1195 C LYS A 79 -15.279 4.934 1.979 1.00 0.00 C ATOM 1196 O LYS A 79 -16.488 5.142 2.067 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.658 6.548 0.082 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.753 7.533 0.841 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.565 8.837 0.040 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.572 9.777 0.746 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.133 10.879 -0.141 1.00 0.00 N ATOM 0 H LYS A 79 -16.242 4.086 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.534 4.884 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.372 6.539 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.688 6.901 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.190 7.759 1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.783 7.072 1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.203 8.604 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.526 9.338 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.038 10.193 1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.703 9.207 1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.181 11.190 0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.114 10.545 -1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.796 11.676 -0.058 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.524 4.519 3.003 1.00 0.00 N ATOM 1216 CA ASP A 80 -15.004 4.295 4.368 1.00 0.00 C ATOM 1217 C ASP A 80 -16.308 3.471 4.437 1.00 0.00 C ATOM 1218 O ASP A 80 -17.179 3.720 5.273 1.00 0.00 O ATOM 1219 CB ASP A 80 -15.066 5.635 5.122 1.00 0.00 C ATOM 1220 CG ASP A 80 -15.327 5.460 6.630 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.669 4.613 7.273 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -16.146 6.220 7.197 1.00 0.00 O ATOM 0 H ASP A 80 -13.528 4.324 2.898 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.283 3.660 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.127 6.170 4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.854 6.253 4.691 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.462 2.493 3.535 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.503 1.473 3.615 1.00 0.00 C ATOM 1229 C GLY A 81 -18.627 1.583 2.588 1.00 0.00 C ATOM 1230 O GLY A 81 -19.490 0.705 2.575 1.00 0.00 O ATOM 0 H GLY A 81 -15.857 2.391 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.034 0.495 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.943 1.509 4.612 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.643 2.603 1.722 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.688 2.778 0.718 1.00 0.00 C ATOM 1236 C GLU A 82 -19.065 3.010 -0.657 1.00 0.00 C ATOM 1237 O GLU A 82 -18.009 3.636 -0.756 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.624 3.914 1.162 1.00 0.00 C ATOM 1239 CG GLU A 82 -20.058 5.336 1.022 1.00 0.00 C ATOM 1240 CD GLU A 82 -21.038 6.383 1.580 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -21.921 6.862 0.832 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -20.932 6.754 2.772 1.00 0.00 O ATOM 0 H GLU A 82 -17.928 3.330 1.701 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.291 1.875 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.544 3.850 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.894 3.751 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -19.108 5.406 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.855 5.548 -0.028 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.699 2.492 -1.712 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.315 2.745 -3.095 1.00 0.00 C ATOM 1251 C VAL A 83 -19.568 4.219 -3.414 1.00 0.00 C ATOM 1252 O VAL A 83 -20.591 4.794 -3.034 1.00 0.00 O ATOM 1253 CB VAL A 83 -20.007 1.726 -4.033 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -21.544 1.749 -3.977 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -19.543 1.870 -5.488 1.00 0.00 C ATOM 0 H VAL A 83 -20.507 1.875 -1.623 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.249 2.584 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.691 0.757 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -21.944 1.004 -4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -21.875 1.522 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -21.904 2.737 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.056 1.134 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.776 2.873 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.467 1.705 -5.545 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.614 4.813 -4.127 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.626 6.203 -4.556 1.00 0.00 C ATOM 1267 C VAL A 84 -18.349 6.311 -6.059 1.00 0.00 C ATOM 1268 O VAL A 84 -18.695 7.340 -6.640 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.652 7.055 -3.707 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -18.058 7.081 -2.225 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -16.188 6.596 -3.805 1.00 0.00 C ATOM 0 H VAL A 84 -17.778 4.315 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.623 6.611 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.723 8.057 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.349 7.690 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -19.057 7.507 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -18.057 6.065 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.563 7.238 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.106 5.566 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.856 6.658 -4.841 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.797 5.275 -6.715 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.661 5.284 -8.179 1.00 0.00 C ATOM 1283 C GLU A 85 -17.620 3.861 -8.750 1.00 0.00 C ATOM 1284 O GLU A 85 -17.392 2.892 -8.021 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.415 6.097 -8.612 1.00 0.00 C ATOM 1286 CG GLU A 85 -16.731 7.345 -9.456 1.00 0.00 C ATOM 1287 CD GLU A 85 -17.308 7.036 -10.851 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -18.385 6.407 -10.941 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -16.710 7.462 -11.864 1.00 0.00 O ATOM 0 H GLU A 85 -17.443 4.433 -6.261 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.544 5.773 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.870 6.405 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.752 5.446 -9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.441 7.968 -8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.819 7.930 -9.574 1.00 0.00 H new ATOM 1296 N THR A 86 -17.849 3.722 -10.057 1.00 0.00 N ATOM 1297 CA THR A 86 -17.788 2.474 -10.814 1.00 0.00 C ATOM 1298 C THR A 86 -17.394 2.799 -12.266 1.00 0.00 C ATOM 1299 O THR A 86 -17.856 3.801 -12.823 1.00 0.00 O ATOM 1300 CB THR A 86 -19.166 1.788 -10.729 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.462 1.462 -9.385 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.281 0.510 -11.570 1.00 0.00 C ATOM 0 H THR A 86 -18.094 4.519 -10.645 1.00 0.00 H new ATOM 0 HA THR A 86 -17.041 1.792 -10.407 1.00 0.00 H new ATOM 0 HB THR A 86 -19.877 2.509 -11.133 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.340 1.028 -9.339 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.280 0.088 -11.456 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.105 0.748 -12.619 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.540 -0.215 -11.233 1.00 0.00 H new ATOM 1310 N SER A 87 -16.573 1.950 -12.890 1.00 0.00 N ATOM 1311 CA SER A 87 -16.071 2.100 -14.255 1.00 0.00 C ATOM 1312 C SER A 87 -15.859 0.706 -14.862 1.00 0.00 C ATOM 1313 O SER A 87 -15.659 -0.255 -14.120 1.00 0.00 O ATOM 1314 CB SER A 87 -14.739 2.872 -14.233 1.00 0.00 C ATOM 1315 OG SER A 87 -14.822 4.084 -13.499 1.00 0.00 O ATOM 0 H SER A 87 -16.226 1.104 -12.437 1.00 0.00 H new ATOM 0 HA SER A 87 -16.790 2.655 -14.857 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.965 2.240 -13.798 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.434 3.091 -15.256 1.00 0.00 H new ATOM 0 HG SER A 87 -14.008 4.611 -13.644 1.00 0.00 H new ATOM 1321 N VAL A 88 -15.879 0.568 -16.189 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.805 -0.733 -16.863 1.00 0.00 C ATOM 1323 C VAL A 88 -14.769 -0.639 -17.988 1.00 0.00 C ATOM 1324 O VAL A 88 -14.595 0.424 -18.593 1.00 0.00 O ATOM 1325 CB VAL A 88 -17.212 -1.146 -17.371 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -17.227 -2.564 -17.966 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.275 -1.109 -16.258 1.00 0.00 C ATOM 0 H VAL A 88 -15.947 1.358 -16.831 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.483 -1.514 -16.174 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.452 -0.413 -18.141 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.234 -2.805 -18.307 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.537 -2.612 -18.809 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.920 -3.281 -17.205 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.241 -1.406 -16.667 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -17.991 -1.796 -15.461 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.347 -0.098 -15.857 1.00 0.00 H new ATOM 1337 N GLY A 89 -14.085 -1.750 -18.269 1.00 0.00 N ATOM 1338 CA GLY A 89 -13.108 -1.866 -19.343 1.00 0.00 C ATOM 1339 C GLY A 89 -11.712 -1.429 -18.898 1.00 0.00 C ATOM 1340 O GLY A 89 -11.516 -0.958 -17.776 1.00 0.00 O ATOM 0 H GLY A 89 -14.201 -2.614 -17.740 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.071 -2.899 -19.689 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.426 -1.257 -20.189 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.736 -1.593 -19.796 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.361 -1.130 -19.612 1.00 0.00 C ATOM 1346 C PHE A 90 -9.326 0.393 -19.418 1.00 0.00 C ATOM 1347 O PHE A 90 -10.221 1.102 -19.892 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.534 -1.557 -20.839 1.00 0.00 C ATOM 1349 CG PHE A 90 -7.101 -1.054 -20.854 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.101 -1.745 -20.143 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -6.771 0.121 -21.559 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -4.783 -1.255 -20.130 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -5.452 0.609 -21.543 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.458 -0.078 -20.826 1.00 0.00 C ATOM 0 H PHE A 90 -10.885 -2.062 -20.690 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.933 -1.578 -18.715 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.522 -2.646 -20.889 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.037 -1.202 -21.739 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.346 -2.651 -19.608 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.533 0.648 -22.113 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.017 -1.785 -19.583 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.203 1.511 -22.082 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.446 0.298 -20.810 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.286 0.910 -18.751 1.00 0.00 N ATOM 1365 CA LYS A 91 -7.974 2.338 -18.699 1.00 0.00 C ATOM 1366 C LYS A 91 -6.459 2.495 -18.765 1.00 0.00 C ATOM 1367 O LYS A 91 -5.753 1.665 -18.187 1.00 0.00 O ATOM 1368 CB LYS A 91 -8.468 3.036 -17.414 1.00 0.00 C ATOM 1369 CG LYS A 91 -9.938 3.457 -17.494 1.00 0.00 C ATOM 1370 CD LYS A 91 -10.863 2.380 -16.903 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.332 2.504 -17.328 1.00 0.00 C ATOM 1372 NZ LYS A 91 -12.529 2.341 -18.790 1.00 0.00 N ATOM 0 H LYS A 91 -7.629 0.335 -18.224 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.487 2.807 -19.539 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.333 2.364 -16.566 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.853 3.916 -17.225 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.079 4.395 -16.957 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.209 3.641 -18.534 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.493 1.398 -17.199 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.807 2.427 -15.815 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.921 1.753 -16.802 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.712 3.479 -17.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.728 3.267 -19.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.668 1.941 -19.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.330 1.700 -18.963 1.00 0.00 H new ATOM 1386 N PRO A 92 -5.960 3.562 -19.408 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.556 3.928 -19.345 1.00 0.00 C ATOM 1388 C PRO A 92 -4.226 4.489 -17.955 1.00 0.00 C ATOM 1389 O PRO A 92 -5.116 4.954 -17.234 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.387 4.971 -20.450 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.739 5.674 -20.501 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.716 4.547 -20.175 1.00 0.00 C ATOM 0 HA PRO A 92 -3.878 3.087 -19.492 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.582 5.669 -20.220 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.143 4.505 -21.405 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.801 6.486 -19.776 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.933 6.107 -21.482 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.564 4.921 -19.600 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.119 4.105 -21.086 1.00 0.00 H new ATOM 1400 N LYS A 93 -2.935 4.494 -17.597 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.475 4.969 -16.290 1.00 0.00 C ATOM 1402 C LYS A 93 -2.950 6.387 -16.025 1.00 0.00 C ATOM 1403 O LYS A 93 -3.452 6.647 -14.937 1.00 0.00 O ATOM 1404 CB LYS A 93 -0.938 4.873 -16.191 1.00 0.00 C ATOM 1405 CG LYS A 93 -0.411 5.369 -14.834 1.00 0.00 C ATOM 1406 CD LYS A 93 1.120 5.346 -14.786 1.00 0.00 C ATOM 1407 CE LYS A 93 1.578 6.047 -13.502 1.00 0.00 C ATOM 1408 NZ LYS A 93 3.048 5.988 -13.323 1.00 0.00 N ATOM 0 H LYS A 93 -2.183 4.169 -18.205 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.908 4.327 -15.523 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.630 3.838 -16.342 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.487 5.460 -16.991 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.767 6.383 -14.653 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.811 4.743 -14.036 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.484 4.319 -14.807 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.534 5.849 -15.660 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.259 7.089 -13.526 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.091 5.584 -12.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.315 6.518 -12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.346 4.997 -13.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.516 6.408 -14.152 1.00 0.00 H new ATOM 1422 N GLU A 94 -2.792 7.302 -16.983 1.00 0.00 N ATOM 1423 CA GLU A 94 -3.020 8.715 -16.741 1.00 0.00 C ATOM 1424 C GLU A 94 -4.483 8.972 -16.384 1.00 0.00 C ATOM 1425 O GLU A 94 -4.763 9.682 -15.416 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.563 9.505 -17.976 1.00 0.00 C ATOM 1427 CG GLU A 94 -2.556 11.009 -17.699 1.00 0.00 C ATOM 1428 CD GLU A 94 -2.038 11.809 -18.907 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -2.846 12.190 -19.785 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -0.818 12.083 -18.987 1.00 0.00 O ATOM 0 H GLU A 94 -2.505 7.081 -17.937 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.436 9.053 -15.885 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.564 9.182 -18.268 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.226 9.290 -18.814 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.565 11.338 -17.451 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.931 11.216 -16.831 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.407 8.340 -17.111 1.00 0.00 N ATOM 1438 CA ALA A 95 -6.830 8.443 -16.837 1.00 0.00 C ATOM 1439 C ALA A 95 -7.165 7.828 -15.483 1.00 0.00 C ATOM 1440 O ALA A 95 -7.938 8.403 -14.721 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.616 7.715 -17.924 1.00 0.00 C ATOM 0 H ALA A 95 -5.182 7.743 -17.907 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.102 9.499 -16.823 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.683 7.794 -17.716 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.401 8.166 -18.893 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.326 6.664 -17.941 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.593 6.662 -15.177 1.00 0.00 N ATOM 1448 CA LEU A 96 -6.883 5.952 -13.944 1.00 0.00 C ATOM 1449 C LEU A 96 -6.373 6.744 -12.743 1.00 0.00 C ATOM 1450 O LEU A 96 -7.091 6.866 -11.755 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.287 4.536 -13.995 1.00 0.00 C ATOM 1452 CG LEU A 96 -6.619 3.688 -12.750 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -8.127 3.551 -12.505 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -6.010 2.291 -12.907 1.00 0.00 C ATOM 0 H LEU A 96 -5.919 6.190 -15.779 1.00 0.00 H new ATOM 0 HA LEU A 96 -7.962 5.850 -13.832 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.658 4.025 -14.883 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.204 4.609 -14.098 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.194 4.206 -11.890 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.297 2.944 -11.616 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.563 4.539 -12.359 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.593 3.072 -13.366 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.244 1.691 -12.028 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.424 1.811 -13.794 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.928 2.375 -13.011 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.171 7.326 -12.816 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.655 8.103 -11.695 1.00 0.00 C ATOM 1468 C GLN A 97 -5.398 9.431 -11.578 1.00 0.00 C ATOM 1469 O GLN A 97 -5.566 9.930 -10.468 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.121 8.238 -11.712 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.518 9.079 -12.844 1.00 0.00 C ATOM 1472 CD GLN A 97 -2.601 10.591 -12.633 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.054 11.140 -11.681 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.272 11.291 -13.530 1.00 0.00 N ATOM 0 H GLN A 97 -4.551 7.273 -13.624 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.858 7.549 -10.778 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.807 8.670 -10.762 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.692 7.238 -11.765 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.471 8.800 -12.967 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.026 8.828 -13.775 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.720 10.818 -14.315 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.342 12.304 -13.438 1.00 0.00 H new ATOM 1483 N GLU A 98 -5.901 9.989 -12.686 1.00 0.00 N ATOM 1484 CA GLU A 98 -6.722 11.187 -12.635 1.00 0.00 C ATOM 1485 C GLU A 98 -8.024 10.836 -11.910 1.00 0.00 C ATOM 1486 O GLU A 98 -8.386 11.492 -10.936 1.00 0.00 O ATOM 1487 CB GLU A 98 -6.964 11.726 -14.055 1.00 0.00 C ATOM 1488 CG GLU A 98 -7.772 13.029 -14.078 1.00 0.00 C ATOM 1489 CD GLU A 98 -6.993 14.226 -13.499 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -6.107 14.771 -14.197 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -7.278 14.641 -12.355 1.00 0.00 O ATOM 0 H GLU A 98 -5.749 9.623 -13.626 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.220 11.984 -12.086 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.003 11.894 -14.542 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.489 10.970 -14.639 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.062 13.253 -15.104 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.692 12.891 -13.509 1.00 0.00 H new ATOM 1498 N LEU A 99 -8.670 9.741 -12.319 1.00 0.00 N ATOM 1499 CA LEU A 99 -9.903 9.259 -11.703 1.00 0.00 C ATOM 1500 C LEU A 99 -9.703 9.047 -10.202 1.00 0.00 C ATOM 1501 O LEU A 99 -10.547 9.466 -9.409 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.361 7.962 -12.397 1.00 0.00 C ATOM 1503 CG LEU A 99 -11.580 7.279 -11.742 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -12.827 8.172 -11.756 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -11.883 5.970 -12.479 1.00 0.00 C ATOM 0 H LEU A 99 -8.347 9.161 -13.094 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.684 10.009 -11.829 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.602 8.187 -13.436 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.529 7.258 -12.408 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.328 7.085 -10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.657 7.646 -11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.622 9.092 -11.208 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.090 8.414 -12.786 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.744 5.484 -12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.103 6.184 -13.525 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.018 5.309 -12.418 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.584 8.433 -9.810 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.313 8.158 -8.410 1.00 0.00 C ATOM 1519 C VAL A 100 -8.061 9.461 -7.646 1.00 0.00 C ATOM 1520 O VAL A 100 -8.672 9.679 -6.600 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.167 7.134 -8.268 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.664 7.036 -6.823 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.639 5.734 -8.698 1.00 0.00 C ATOM 0 H VAL A 100 -7.854 8.119 -10.449 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.191 7.699 -7.955 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.357 7.482 -8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.858 6.304 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.294 8.009 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.482 6.725 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.818 5.025 -8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.472 5.422 -8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.961 5.762 -9.739 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.192 10.351 -8.143 1.00 0.00 N ATOM 1534 CA ASN A 101 -6.814 11.553 -7.390 1.00 0.00 C ATOM 1535 C ASN A 101 -8.010 12.469 -7.136 1.00 0.00 C ATOM 1536 O ASN A 101 -8.039 13.170 -6.125 1.00 0.00 O ATOM 1537 CB ASN A 101 -5.627 12.302 -8.021 1.00 0.00 C ATOM 1538 CG ASN A 101 -6.000 13.551 -8.815 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -5.752 14.677 -8.395 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -6.581 13.362 -9.981 1.00 0.00 N ATOM 0 H ASN A 101 -6.742 10.263 -9.054 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.468 11.209 -6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.934 12.587 -7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.094 11.617 -8.680 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.836 14.162 -10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.776 12.415 -10.306 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.019 12.422 -8.011 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.264 13.160 -7.831 1.00 0.00 C ATOM 1549 C LYS A 102 -11.075 12.690 -6.616 1.00 0.00 C ATOM 1550 O LYS A 102 -11.895 13.474 -6.137 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.107 13.099 -9.117 1.00 0.00 C ATOM 1552 CG LYS A 102 -10.541 14.025 -10.204 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.315 13.879 -11.520 1.00 0.00 C ATOM 1554 CE LYS A 102 -10.783 14.885 -12.549 1.00 0.00 C ATOM 1555 NZ LYS A 102 -11.507 14.803 -13.844 1.00 0.00 N ATOM 0 H LYS A 102 -8.991 11.867 -8.867 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.993 14.196 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.134 12.074 -9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.135 13.384 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.589 15.060 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.489 13.793 -10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.211 12.864 -11.903 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.378 14.048 -11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.874 15.894 -12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.721 14.703 -12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.113 15.501 -14.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.400 13.848 -14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.516 15.003 -13.691 1.00 0.00 H new ATOM 1569 N HIS A 103 -10.866 11.473 -6.092 1.00 0.00 N ATOM 1570 CA HIS A 103 -11.615 10.956 -4.943 1.00 0.00 C ATOM 1571 C HIS A 103 -10.739 10.687 -3.712 1.00 0.00 C ATOM 1572 O HIS A 103 -11.258 10.181 -2.713 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.413 9.713 -5.360 1.00 0.00 C ATOM 1574 CG HIS A 103 -11.569 8.489 -5.612 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -10.796 7.828 -4.687 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -11.493 7.778 -6.778 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -10.254 6.756 -5.283 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -10.670 6.664 -6.553 1.00 0.00 N ATOM 0 H HIS A 103 -10.171 10.821 -6.456 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.309 11.737 -4.630 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -13.140 9.484 -4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.976 9.944 -6.264 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.981 8.030 -7.708 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.577 6.063 -4.806 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.435 5.931 -7.222 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.434 10.973 -3.751 1.00 0.00 N ATOM 1587 CA LEU A 104 -8.593 10.938 -2.557 1.00 0.00 C ATOM 1588 C LEU A 104 -9.120 11.979 -1.574 1.00 0.00 C ATOM 1589 O LEU A 104 -9.461 11.608 -0.432 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.110 11.189 -2.886 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.409 10.067 -3.677 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -4.962 10.474 -3.972 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.411 8.724 -2.938 1.00 0.00 C ATOM 1594 OXT LEU A 104 -9.213 13.167 -1.953 1.00 0.00 O ATOM 0 H LEU A 104 -8.937 11.232 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.641 9.943 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.034 12.115 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.569 11.344 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.971 9.932 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.467 9.680 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.955 11.391 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.433 10.641 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.904 7.974 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.892 8.832 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.439 8.410 -2.757 1.00 0.00 H new TER 1606 LEU A 104