USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 510 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 6 LYS NZ :NH3+ 143:sc= 1.28 (180deg=0.35) USER MOD Set 1.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 39 SER OG : rot 37:sc= 0.714 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0.609 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0.637) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.39) USER MOD Single : A 7 SER OG : rot 3:sc= 0.709 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -27:sc= 0.0124 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 44 SER OG : rot 41:sc= 1.2 USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 1.72 (180deg=1.67) USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= 0.602 (180deg=0.507) USER MOD Single : A 59 THR OG1 : rot 28:sc= 0.0638 USER MOD Single : A 62 TYR OH : rot -1:sc= 0.0574 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= 1.25 (180deg=0.391) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 73 LYS NZ :NH3+ -141:sc= 1.25 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 -7.156 12.400 -0.342 1.00 0.00 N ATOM 53 CA LYS A 4 -7.362 11.185 0.494 1.00 0.00 C ATOM 54 C LYS A 4 -5.977 10.794 1.126 1.00 0.00 C ATOM 55 O LYS A 4 -5.060 10.341 0.428 1.00 0.00 O ATOM 56 CB LYS A 4 -7.978 10.000 -0.298 1.00 0.00 C ATOM 57 CG LYS A 4 -8.922 9.084 0.517 1.00 0.00 C ATOM 58 CD LYS A 4 -8.285 8.423 1.751 1.00 0.00 C ATOM 59 CE LYS A 4 -9.220 7.420 2.438 1.00 0.00 C ATOM 60 NZ LYS A 4 -8.563 6.923 3.682 1.00 0.00 N ATOM 0 HA LYS A 4 -8.088 11.414 1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.530 10.400 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.168 9.393 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.781 9.671 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.300 8.301 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.369 7.913 1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.001 9.196 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.172 7.894 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.438 6.588 1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.189 6.241 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.665 6.458 3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.376 7.723 4.319 1.00 0.00 H new ATOM 74 N GLN A 5 -5.866 10.971 2.451 1.00 0.00 N ATOM 75 CA GLN A 5 -4.595 10.759 3.200 1.00 0.00 C ATOM 76 C GLN A 5 -4.168 9.257 3.333 1.00 0.00 C ATOM 77 O GLN A 5 -4.890 8.330 2.947 1.00 0.00 O ATOM 78 CB GLN A 5 -4.728 11.507 4.558 1.00 0.00 C ATOM 79 CG GLN A 5 -3.649 12.583 4.824 1.00 0.00 C ATOM 80 CD GLN A 5 -2.297 12.055 5.270 1.00 0.00 C ATOM 81 OE1 GLN A 5 -2.185 11.260 6.194 1.00 0.00 O ATOM 82 NE2 GLN A 5 -1.218 12.442 4.638 1.00 0.00 N ATOM 0 H GLN A 5 -6.645 11.264 3.041 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.764 11.178 2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.709 11.981 4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.694 10.774 5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.510 13.166 3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.022 13.267 5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.289 13.104 3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.306 12.082 4.918 1.00 0.00 H new ATOM 91 N LYS A 6 -2.929 9.037 3.785 1.00 0.00 N ATOM 92 CA LYS A 6 -2.182 7.779 3.528 1.00 0.00 C ATOM 93 C LYS A 6 -2.570 6.579 4.459 1.00 0.00 C ATOM 94 O LYS A 6 -3.222 6.728 5.494 1.00 0.00 O ATOM 95 CB LYS A 6 -0.656 8.057 3.603 1.00 0.00 C ATOM 96 CG LYS A 6 -0.046 9.208 2.797 1.00 0.00 C ATOM 97 CD LYS A 6 -0.104 9.241 1.271 1.00 0.00 C ATOM 98 CE LYS A 6 -1.454 9.625 0.657 1.00 0.00 C ATOM 99 NZ LYS A 6 -1.221 10.029 -0.753 1.00 0.00 N ATOM 0 H LYS A 6 -2.408 9.717 4.339 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.468 7.459 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.409 8.229 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.145 7.143 3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.517 10.125 3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.007 9.264 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.648 9.945 0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.176 8.257 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.146 8.784 0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.908 10.442 1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.012 9.702 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.151 11.065 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.336 9.603 -1.094 1.00 0.00 H new ATOM 113 N SER A 7 -2.204 5.361 4.042 1.00 0.00 N ATOM 114 CA SER A 7 -2.438 4.132 4.852 1.00 0.00 C ATOM 115 C SER A 7 -1.394 3.057 4.448 1.00 0.00 C ATOM 116 O SER A 7 -1.445 2.559 3.323 1.00 0.00 O ATOM 117 CB SER A 7 -3.884 3.611 4.651 1.00 0.00 C ATOM 118 OG SER A 7 -4.844 4.571 5.102 1.00 0.00 O ATOM 0 H SER A 7 -1.743 5.187 3.149 1.00 0.00 H new ATOM 0 HA SER A 7 -2.321 4.364 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.052 3.392 3.596 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.016 2.676 5.196 1.00 0.00 H new ATOM 0 HG SER A 7 -4.380 5.378 5.410 1.00 0.00 H new ATOM 124 N GLU A 8 -0.454 2.739 5.351 1.00 0.00 N ATOM 125 CA GLU A 8 0.594 1.711 5.095 1.00 0.00 C ATOM 126 C GLU A 8 0.369 0.511 6.058 1.00 0.00 C ATOM 127 O GLU A 8 0.522 0.644 7.276 1.00 0.00 O ATOM 128 CB GLU A 8 2.026 2.274 5.244 1.00 0.00 C ATOM 129 CG GLU A 8 2.357 3.410 4.261 1.00 0.00 C ATOM 130 CD GLU A 8 3.825 3.757 4.219 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.274 4.615 5.010 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.535 3.216 3.342 1.00 0.00 O ATOM 0 H GLU A 8 -0.389 3.175 6.271 1.00 0.00 H new ATOM 0 HA GLU A 8 0.503 1.382 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.158 2.639 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.741 1.464 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.030 3.122 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.789 4.298 4.539 1.00 0.00 H new ATOM 139 N ILE A 9 -0.047 -0.638 5.509 1.00 0.00 N ATOM 140 CA ILE A 9 -0.532 -1.793 6.320 1.00 0.00 C ATOM 141 C ILE A 9 0.396 -3.034 6.061 1.00 0.00 C ATOM 142 O ILE A 9 0.893 -3.287 4.956 1.00 0.00 O ATOM 143 CB ILE A 9 -2.042 -2.056 6.011 1.00 0.00 C ATOM 144 CG1 ILE A 9 -2.990 -0.856 6.311 1.00 0.00 C ATOM 145 CG2 ILE A 9 -2.609 -3.342 6.646 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.013 -0.325 7.741 1.00 0.00 C ATOM 0 H ILE A 9 -0.062 -0.805 4.503 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.473 -1.576 7.387 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.028 -2.197 4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.714 -0.034 5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.005 -1.152 6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.661 -3.446 6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.055 -4.205 6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.512 -3.286 7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.713 0.507 7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.326 -1.119 8.419 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.016 0.017 8.018 1.00 0.00 H new ATOM 158 N THR A 10 0.594 -3.804 7.135 1.00 0.00 N ATOM 159 CA THR A 10 1.526 -4.956 7.176 1.00 0.00 C ATOM 160 C THR A 10 0.980 -6.240 6.480 1.00 0.00 C ATOM 161 O THR A 10 -0.224 -6.415 6.264 1.00 0.00 O ATOM 162 CB THR A 10 1.850 -5.150 8.689 1.00 0.00 C ATOM 163 OG1 THR A 10 2.412 -3.956 9.234 1.00 0.00 O ATOM 164 CG2 THR A 10 2.855 -6.229 9.051 1.00 0.00 C ATOM 0 H THR A 10 0.108 -3.650 8.019 1.00 0.00 H new ATOM 0 HA THR A 10 2.427 -4.756 6.596 1.00 0.00 H new ATOM 0 HB THR A 10 0.878 -5.437 9.090 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.609 -4.091 10.184 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.986 -6.256 10.133 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.490 -7.196 8.706 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.811 -6.010 8.575 1.00 0.00 H new ATOM 172 N ALA A 11 1.910 -7.140 6.132 1.00 0.00 N ATOM 173 CA ALA A 11 1.609 -8.388 5.408 1.00 0.00 C ATOM 174 C ALA A 11 0.717 -9.432 6.146 1.00 0.00 C ATOM 175 O ALA A 11 0.749 -9.586 7.369 1.00 0.00 O ATOM 176 CB ALA A 11 2.965 -8.981 4.991 1.00 0.00 C ATOM 0 H ALA A 11 2.901 -7.024 6.346 1.00 0.00 H new ATOM 0 HA ALA A 11 0.978 -8.132 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.803 -9.912 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.490 -8.273 4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.564 -9.179 5.880 1.00 0.00 H new ATOM 382 N SER A 24 1.850 -15.008 1.993 1.00 0.00 N ATOM 383 CA SER A 24 1.957 -13.943 0.974 1.00 0.00 C ATOM 384 C SER A 24 2.566 -12.633 1.518 1.00 0.00 C ATOM 385 O SER A 24 2.107 -12.088 2.529 1.00 0.00 O ATOM 386 CB SER A 24 0.561 -13.696 0.342 1.00 0.00 C ATOM 387 OG SER A 24 -0.451 -13.310 1.271 1.00 0.00 O ATOM 0 HA SER A 24 2.652 -14.289 0.209 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.653 -12.920 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.241 -14.605 -0.167 1.00 0.00 H new ATOM 0 HG SER A 24 -0.235 -13.668 2.157 1.00 0.00 H new ATOM 393 N LYS A 25 3.571 -12.100 0.803 1.00 0.00 N ATOM 394 CA LYS A 25 4.149 -10.766 1.106 1.00 0.00 C ATOM 395 C LYS A 25 3.169 -9.647 0.611 1.00 0.00 C ATOM 396 O LYS A 25 3.233 -9.177 -0.529 1.00 0.00 O ATOM 397 CB LYS A 25 5.558 -10.608 0.482 1.00 0.00 C ATOM 398 CG LYS A 25 6.722 -11.293 1.227 1.00 0.00 C ATOM 399 CD LYS A 25 6.820 -12.817 1.062 1.00 0.00 C ATOM 400 CE LYS A 25 6.684 -13.641 2.357 1.00 0.00 C ATOM 401 NZ LYS A 25 7.910 -13.556 3.205 1.00 0.00 N ATOM 0 H LYS A 25 4.005 -12.569 0.008 1.00 0.00 H new ATOM 0 HA LYS A 25 4.271 -10.670 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.527 -10.999 -0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.780 -9.544 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.657 -10.849 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.631 -11.067 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.046 -13.139 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.780 -13.053 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.825 -13.284 2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.489 -14.683 2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.777 -14.124 4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.726 -13.920 2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.082 -12.565 3.468 1.00 0.00 H new ATOM 415 N ALA A 26 2.244 -9.277 1.505 1.00 0.00 N ATOM 416 CA ALA A 26 1.182 -8.302 1.215 1.00 0.00 C ATOM 417 C ALA A 26 1.594 -6.888 1.674 1.00 0.00 C ATOM 418 O ALA A 26 1.968 -6.656 2.827 1.00 0.00 O ATOM 419 CB ALA A 26 -0.111 -8.803 1.865 1.00 0.00 C ATOM 0 H ALA A 26 2.210 -9.647 2.455 1.00 0.00 H new ATOM 0 HA ALA A 26 1.013 -8.216 0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.916 -8.096 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.372 -9.777 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.034 -8.892 2.942 1.00 0.00 H new ATOM 425 N LYS A 27 1.560 -5.945 0.739 1.00 0.00 N ATOM 426 CA LYS A 27 1.903 -4.533 1.021 1.00 0.00 C ATOM 427 C LYS A 27 0.757 -3.630 0.486 1.00 0.00 C ATOM 428 O LYS A 27 0.333 -3.734 -0.673 1.00 0.00 O ATOM 429 CB LYS A 27 3.294 -4.208 0.434 1.00 0.00 C ATOM 430 CG LYS A 27 4.448 -4.386 1.448 1.00 0.00 C ATOM 431 CD LYS A 27 5.113 -5.770 1.448 1.00 0.00 C ATOM 432 CE LYS A 27 5.428 -6.328 2.849 1.00 0.00 C ATOM 433 NZ LYS A 27 6.469 -5.516 3.548 1.00 0.00 N ATOM 0 H LYS A 27 1.298 -6.123 -0.231 1.00 0.00 H new ATOM 0 HA LYS A 27 1.983 -4.343 2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.475 -4.851 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.295 -3.180 0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.210 -3.635 1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.065 -4.185 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.461 -6.472 0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.039 -5.714 0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.517 -6.344 3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.770 -7.359 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.654 -5.923 4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.346 -5.521 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.133 -4.538 3.654 1.00 0.00 H new ATOM 447 N ARG A 28 0.222 -2.785 1.373 1.00 0.00 N ATOM 448 CA ARG A 28 -0.933 -1.911 1.064 1.00 0.00 C ATOM 449 C ARG A 28 -0.500 -0.471 1.454 1.00 0.00 C ATOM 450 O ARG A 28 -0.482 -0.154 2.645 1.00 0.00 O ATOM 451 CB ARG A 28 -2.171 -2.363 1.880 1.00 0.00 C ATOM 452 CG ARG A 28 -2.680 -3.778 1.573 1.00 0.00 C ATOM 453 CD ARG A 28 -3.897 -4.186 2.418 1.00 0.00 C ATOM 454 NE ARG A 28 -4.411 -5.470 1.864 1.00 0.00 N ATOM 455 CZ ARG A 28 -5.295 -6.275 2.446 1.00 0.00 C ATOM 456 NH1 ARG A 28 -5.849 -6.028 3.606 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.635 -7.369 1.826 1.00 0.00 N ATOM 0 H ARG A 28 0.571 -2.682 2.326 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.211 -1.959 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.927 -2.305 2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.981 -1.657 1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.943 -3.840 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.873 -4.491 1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.616 -4.304 3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.667 -3.415 2.380 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.052 -5.758 0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.608 -5.178 4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.521 -6.686 4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.225 -7.589 0.918 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.311 -8.006 2.248 1.00 0.00 H new ATOM 471 N GLU A 29 -0.109 0.348 0.468 1.00 0.00 N ATOM 472 CA GLU A 29 0.510 1.670 0.724 1.00 0.00 C ATOM 473 C GLU A 29 -0.106 2.757 -0.211 1.00 0.00 C ATOM 474 O GLU A 29 -0.329 2.521 -1.408 1.00 0.00 O ATOM 475 CB GLU A 29 2.043 1.693 0.455 1.00 0.00 C ATOM 476 CG GLU A 29 2.922 0.923 1.446 1.00 0.00 C ATOM 477 CD GLU A 29 3.261 -0.501 1.088 1.00 0.00 C ATOM 478 OE1 GLU A 29 3.571 -0.772 -0.096 1.00 0.00 O ATOM 479 OE2 GLU A 29 3.253 -1.359 1.992 1.00 0.00 O ATOM 0 H GLU A 29 -0.208 0.123 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 29 0.318 1.872 1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.221 1.291 -0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.372 2.732 0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.855 1.473 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.421 0.920 2.414 1.00 0.00 H new ATOM 486 N ALA A 30 -0.263 3.976 0.323 1.00 0.00 N ATOM 487 CA ALA A 30 -0.433 5.176 -0.513 1.00 0.00 C ATOM 488 C ALA A 30 0.908 5.912 -0.841 1.00 0.00 C ATOM 489 O ALA A 30 1.533 6.442 0.081 1.00 0.00 O ATOM 490 CB ALA A 30 -1.389 6.112 0.229 1.00 0.00 C ATOM 0 H ALA A 30 -0.276 4.159 1.326 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.832 4.870 -1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.542 7.017 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.345 5.611 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.962 6.376 1.196 1.00 0.00 H new ATOM 496 N PRO A 31 1.316 6.060 -2.124 1.00 0.00 N ATOM 497 CA PRO A 31 2.356 7.063 -2.527 1.00 0.00 C ATOM 498 C PRO A 31 1.680 8.407 -2.925 1.00 0.00 C ATOM 499 O PRO A 31 1.082 9.067 -2.064 1.00 0.00 O ATOM 500 CB PRO A 31 3.113 6.234 -3.594 1.00 0.00 C ATOM 501 CG PRO A 31 2.003 5.440 -4.318 1.00 0.00 C ATOM 502 CD PRO A 31 1.016 5.078 -3.195 1.00 0.00 C ATOM 0 HA PRO A 31 3.059 7.437 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.657 6.877 -4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.844 5.568 -3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.524 6.038 -5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.401 4.549 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.018 5.157 -3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.161 4.054 -2.850 1.00 0.00 H new ATOM 510 N ILE A 32 1.743 8.817 -4.201 1.00 0.00 N ATOM 511 CA ILE A 32 1.351 10.176 -4.647 1.00 0.00 C ATOM 512 C ILE A 32 0.139 10.169 -5.621 1.00 0.00 C ATOM 513 O ILE A 32 0.106 9.422 -6.602 1.00 0.00 O ATOM 514 CB ILE A 32 2.563 10.985 -5.257 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.343 10.309 -6.397 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.517 11.392 -4.114 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.333 11.231 -7.110 1.00 0.00 C ATOM 0 H ILE A 32 2.068 8.218 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 32 1.031 10.695 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 32 2.112 11.851 -5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.885 9.454 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.633 9.921 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.358 11.951 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.981 12.015 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.886 10.498 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.842 10.678 -7.900 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.796 12.074 -7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.068 11.599 -6.394 1.00 0.00 H new ATOM 529 N LYS A 33 -0.814 11.087 -5.377 1.00 0.00 N ATOM 530 CA LYS A 33 -1.925 11.364 -6.334 1.00 0.00 C ATOM 531 C LYS A 33 -1.542 12.075 -7.675 1.00 0.00 C ATOM 532 O LYS A 33 -2.249 11.907 -8.668 1.00 0.00 O ATOM 533 CB LYS A 33 -3.004 12.168 -5.562 1.00 0.00 C ATOM 534 CG LYS A 33 -4.413 12.150 -6.186 1.00 0.00 C ATOM 535 CD LYS A 33 -5.095 10.783 -6.286 1.00 0.00 C ATOM 536 CE LYS A 33 -5.126 9.875 -5.048 1.00 0.00 C ATOM 537 NZ LYS A 33 -5.912 10.409 -3.905 1.00 0.00 N ATOM 0 H LYS A 33 -0.846 11.654 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.286 10.396 -6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.069 11.775 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.674 13.204 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.054 12.810 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.348 12.574 -7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.126 10.951 -6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.607 10.229 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.538 8.907 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.102 9.700 -4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.879 9.733 -3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.508 11.318 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.900 10.550 -4.199 1.00 0.00 H new ATOM 551 N TYR A 34 -0.440 12.837 -7.690 1.00 0.00 N ATOM 552 CA TYR A 34 0.149 13.399 -8.935 1.00 0.00 C ATOM 553 C TYR A 34 0.655 12.353 -9.992 1.00 0.00 C ATOM 554 O TYR A 34 0.515 12.608 -11.188 1.00 0.00 O ATOM 555 CB TYR A 34 1.262 14.364 -8.457 1.00 0.00 C ATOM 556 CG TYR A 34 1.750 15.382 -9.495 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.956 16.489 -9.834 1.00 0.00 C ATOM 558 CD2 TYR A 34 3.019 15.260 -10.082 1.00 0.00 C ATOM 559 CE1 TYR A 34 1.417 17.445 -10.741 1.00 0.00 C ATOM 560 CE2 TYR A 34 3.486 16.228 -10.973 1.00 0.00 C ATOM 561 CZ TYR A 34 2.683 17.316 -11.303 1.00 0.00 C ATOM 562 OH TYR A 34 3.172 18.303 -12.105 1.00 0.00 O ATOM 0 H TYR A 34 0.075 13.087 -6.846 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.629 13.906 -9.505 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.897 14.908 -7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.115 13.771 -8.128 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.021 16.602 -9.389 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.640 14.409 -9.842 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.791 18.284 -11.006 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.471 16.133 -11.406 1.00 0.00 H new ATOM 0 HH TYR A 34 4.069 18.058 -12.415 1.00 0.00 H new ATOM 572 N TRP A 35 1.213 11.207 -9.559 1.00 0.00 N ATOM 573 CA TRP A 35 1.577 10.084 -10.471 1.00 0.00 C ATOM 574 C TRP A 35 0.449 9.010 -10.616 1.00 0.00 C ATOM 575 O TRP A 35 0.117 8.663 -11.750 1.00 0.00 O ATOM 576 CB TRP A 35 2.912 9.476 -9.980 1.00 0.00 C ATOM 577 CG TRP A 35 3.884 8.998 -11.097 1.00 0.00 C ATOM 578 CD1 TRP A 35 5.058 9.681 -11.507 1.00 0.00 C ATOM 579 CD2 TRP A 35 3.884 7.815 -11.845 1.00 0.00 C ATOM 580 NE1 TRP A 35 5.778 8.970 -12.481 1.00 0.00 N ATOM 581 CE2 TRP A 35 5.038 7.822 -12.677 1.00 0.00 C ATOM 582 CE3 TRP A 35 2.983 6.711 -11.883 1.00 0.00 C ATOM 583 CZ2 TRP A 35 5.291 6.725 -13.551 1.00 0.00 C ATOM 584 CZ3 TRP A 35 3.252 5.654 -12.749 1.00 0.00 C ATOM 585 CH2 TRP A 35 4.394 5.660 -13.573 1.00 0.00 C ATOM 0 H TRP A 35 1.426 11.025 -8.578 1.00 0.00 H new ATOM 0 HA TRP A 35 1.700 10.478 -11.480 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.426 10.218 -9.369 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.688 8.629 -9.331 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.364 10.640 -11.114 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.649 9.240 -12.939 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.107 6.695 -11.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.164 6.720 -14.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.573 4.815 -12.789 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.577 4.825 -14.233 1.00 0.00 H new ATOM 596 N LEU A 36 -0.104 8.459 -9.514 1.00 0.00 N ATOM 597 CA LEU A 36 -1.137 7.392 -9.582 1.00 0.00 C ATOM 598 C LEU A 36 -2.552 7.952 -9.204 1.00 0.00 C ATOM 599 O LEU A 36 -2.668 8.552 -8.129 1.00 0.00 O ATOM 600 CB LEU A 36 -0.780 6.233 -8.607 1.00 0.00 C ATOM 601 CG LEU A 36 0.514 5.446 -8.908 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.781 4.453 -7.765 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.456 4.660 -10.222 1.00 0.00 C ATOM 0 H LEU A 36 0.145 8.733 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.162 7.022 -10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.700 6.647 -7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.612 5.529 -8.597 1.00 0.00 H new ATOM 0 HG LEU A 36 1.312 6.183 -9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.694 3.895 -7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.895 4.999 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.056 3.760 -7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.397 4.131 -10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.362 3.941 -10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.292 5.349 -11.051 1.00 0.00 H new ATOM 615 N PRO A 37 -3.655 7.741 -9.976 1.00 0.00 N ATOM 616 CA PRO A 37 -5.012 8.275 -9.599 1.00 0.00 C ATOM 617 C PRO A 37 -5.689 7.723 -8.307 1.00 0.00 C ATOM 618 O PRO A 37 -6.523 8.412 -7.719 1.00 0.00 O ATOM 619 CB PRO A 37 -5.836 8.017 -10.883 1.00 0.00 C ATOM 620 CG PRO A 37 -5.168 6.786 -11.535 1.00 0.00 C ATOM 621 CD PRO A 37 -3.668 6.995 -11.254 1.00 0.00 C ATOM 0 HA PRO A 37 -4.934 9.320 -9.299 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.883 7.823 -10.650 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.813 8.880 -11.549 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.531 5.855 -11.099 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.373 6.739 -12.605 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.140 6.045 -11.169 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.185 7.559 -12.052 1.00 0.00 H new ATOM 629 N HIS A 38 -5.307 6.522 -7.853 1.00 0.00 N ATOM 630 CA HIS A 38 -5.665 5.992 -6.520 1.00 0.00 C ATOM 631 C HIS A 38 -4.358 5.837 -5.677 1.00 0.00 C ATOM 632 O HIS A 38 -3.538 4.961 -5.963 1.00 0.00 O ATOM 633 CB HIS A 38 -6.388 4.647 -6.776 1.00 0.00 C ATOM 634 CG HIS A 38 -7.135 4.059 -5.566 1.00 0.00 C ATOM 635 ND1 HIS A 38 -8.476 3.708 -5.602 1.00 0.00 N ATOM 636 CD2 HIS A 38 -6.602 3.737 -4.293 1.00 0.00 C ATOM 637 CE1 HIS A 38 -8.646 3.190 -4.344 1.00 0.00 C ATOM 638 NE2 HIS A 38 -7.577 3.185 -3.486 1.00 0.00 N ATOM 0 H HIS A 38 -4.735 5.881 -8.402 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.324 6.649 -5.952 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.101 4.786 -7.589 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.653 3.918 -7.117 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.577 3.900 -3.996 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.602 2.794 -4.035 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.518 2.863 -2.520 1.00 0.00 H new ATOM 647 N SER A 39 -4.197 6.633 -4.604 1.00 0.00 N ATOM 648 CA SER A 39 -3.106 6.423 -3.619 1.00 0.00 C ATOM 649 C SER A 39 -3.587 5.485 -2.477 1.00 0.00 C ATOM 650 O SER A 39 -4.324 5.912 -1.579 1.00 0.00 O ATOM 651 CB SER A 39 -2.595 7.776 -3.056 1.00 0.00 C ATOM 652 OG SER A 39 -3.573 8.497 -2.298 1.00 0.00 O ATOM 0 H SER A 39 -4.803 7.426 -4.392 1.00 0.00 H new ATOM 0 HA SER A 39 -2.269 5.944 -4.127 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.726 7.590 -2.425 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.260 8.400 -3.885 1.00 0.00 H new ATOM 0 HG SER A 39 -4.122 7.866 -1.788 1.00 0.00 H new ATOM 658 N GLY A 40 -3.182 4.220 -2.572 1.00 0.00 N ATOM 659 CA GLY A 40 -3.594 3.151 -1.644 1.00 0.00 C ATOM 660 C GLY A 40 -3.733 1.820 -2.394 1.00 0.00 C ATOM 661 O GLY A 40 -4.850 1.423 -2.732 1.00 0.00 O ATOM 0 H GLY A 40 -2.549 3.897 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.860 3.051 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.542 3.413 -1.175 1.00 0.00 H new ATOM 665 N ALA A 41 -2.595 1.184 -2.700 1.00 0.00 N ATOM 666 CA ALA A 41 -2.538 0.054 -3.656 1.00 0.00 C ATOM 667 C ALA A 41 -2.189 -1.281 -2.948 1.00 0.00 C ATOM 668 O ALA A 41 -1.106 -1.408 -2.365 1.00 0.00 O ATOM 669 CB ALA A 41 -1.478 0.428 -4.710 1.00 0.00 C ATOM 0 H ALA A 41 -1.690 1.431 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.511 -0.107 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.395 -0.374 -5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.774 1.349 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.515 0.574 -4.221 1.00 0.00 H new ATOM 675 N THR A 42 -3.097 -2.265 -3.020 1.00 0.00 N ATOM 676 CA THR A 42 -2.883 -3.617 -2.430 1.00 0.00 C ATOM 677 C THR A 42 -2.160 -4.582 -3.411 1.00 0.00 C ATOM 678 O THR A 42 -2.683 -4.893 -4.482 1.00 0.00 O ATOM 679 CB THR A 42 -4.217 -4.190 -1.863 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.987 -5.449 -1.227 1.00 0.00 O ATOM 681 CG2 THR A 42 -5.375 -4.420 -2.824 1.00 0.00 C ATOM 0 H THR A 42 -3.999 -2.159 -3.484 1.00 0.00 H new ATOM 0 HA THR A 42 -2.202 -3.513 -1.585 1.00 0.00 H new ATOM 0 HB THR A 42 -4.527 -3.385 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.833 -5.797 -0.874 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.228 -4.821 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.654 -3.475 -3.290 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.073 -5.129 -3.595 1.00 0.00 H new ATOM 689 N TRP A 43 -0.976 -5.080 -3.019 1.00 0.00 N ATOM 690 CA TRP A 43 -0.264 -6.145 -3.780 1.00 0.00 C ATOM 691 C TRP A 43 0.019 -7.341 -2.828 1.00 0.00 C ATOM 692 O TRP A 43 0.872 -7.242 -1.945 1.00 0.00 O ATOM 693 CB TRP A 43 1.028 -5.545 -4.375 1.00 0.00 C ATOM 694 CG TRP A 43 1.687 -6.371 -5.535 1.00 0.00 C ATOM 695 CD1 TRP A 43 1.790 -7.789 -5.682 1.00 0.00 C ATOM 696 CD2 TRP A 43 2.366 -5.862 -6.650 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.477 -8.157 -6.847 1.00 0.00 N ATOM 698 CE2 TRP A 43 2.841 -6.959 -7.420 1.00 0.00 C ATOM 699 CE3 TRP A 43 2.659 -4.521 -7.068 1.00 0.00 C ATOM 700 CZ2 TRP A 43 3.634 -6.726 -8.580 1.00 0.00 C ATOM 701 CZ3 TRP A 43 3.440 -4.325 -8.202 1.00 0.00 C ATOM 702 CH2 TRP A 43 3.927 -5.415 -8.945 1.00 0.00 C ATOM 0 H TRP A 43 -0.484 -4.769 -2.182 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.870 -6.519 -4.606 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.805 -4.545 -4.746 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.758 -5.432 -3.573 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.384 -8.497 -4.975 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.665 -9.098 -7.192 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.279 -3.677 -6.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.002 -7.554 -9.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.676 -3.319 -8.517 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.540 -5.232 -9.815 1.00 0.00 H new ATOM 713 N SER A 44 -0.670 -8.469 -3.050 1.00 0.00 N ATOM 714 CA SER A 44 -0.387 -9.743 -2.343 1.00 0.00 C ATOM 715 C SER A 44 0.524 -10.680 -3.199 1.00 0.00 C ATOM 716 O SER A 44 0.024 -11.323 -4.131 1.00 0.00 O ATOM 717 CB SER A 44 -1.752 -10.428 -2.047 1.00 0.00 C ATOM 718 OG SER A 44 -2.364 -10.903 -3.254 1.00 0.00 O ATOM 0 H SER A 44 -1.437 -8.533 -3.720 1.00 0.00 H new ATOM 0 HA SER A 44 0.151 -9.541 -1.417 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.603 -11.260 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.418 -9.721 -1.552 1.00 0.00 H new ATOM 0 HG SER A 44 -1.682 -11.309 -3.829 1.00 0.00 H new ATOM 724 N GLY A 45 1.827 -10.750 -2.897 1.00 0.00 N ATOM 725 CA GLY A 45 2.751 -11.648 -3.635 1.00 0.00 C ATOM 726 C GLY A 45 4.192 -11.139 -3.710 1.00 0.00 C ATOM 727 O GLY A 45 5.042 -11.567 -2.926 1.00 0.00 O ATOM 0 H GLY A 45 2.270 -10.206 -2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.748 -12.627 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.373 -11.787 -4.648 1.00 0.00 H new ATOM 731 N ARG A 46 4.463 -10.243 -4.667 1.00 0.00 N ATOM 732 CA ARG A 46 5.795 -9.590 -4.801 1.00 0.00 C ATOM 733 C ARG A 46 5.977 -8.472 -3.744 1.00 0.00 C ATOM 734 O ARG A 46 5.081 -7.650 -3.514 1.00 0.00 O ATOM 735 CB ARG A 46 5.909 -9.086 -6.259 1.00 0.00 C ATOM 736 CG ARG A 46 7.241 -8.439 -6.686 1.00 0.00 C ATOM 737 CD ARG A 46 7.245 -6.903 -6.588 1.00 0.00 C ATOM 738 NE ARG A 46 8.539 -6.397 -7.110 1.00 0.00 N ATOM 739 CZ ARG A 46 8.764 -5.170 -7.570 1.00 0.00 C ATOM 740 NH1 ARG A 46 7.862 -4.221 -7.595 1.00 0.00 N ATOM 741 NH2 ARG A 46 9.950 -4.896 -8.029 1.00 0.00 N ATOM 0 H ARG A 46 3.784 -9.945 -5.367 1.00 0.00 H new ATOM 0 HA ARG A 46 6.605 -10.292 -4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.717 -9.929 -6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.113 -8.360 -6.427 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.043 -8.836 -6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.462 -8.729 -7.713 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.417 -6.486 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.106 -6.590 -5.553 1.00 0.00 H new ATOM 0 HE ARG A 46 9.325 -7.048 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.920 -4.403 -7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.101 -3.300 -7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.675 -5.613 -8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.155 -3.964 -8.389 1.00 0.00 H new ATOM 755 N GLY A 47 7.170 -8.429 -3.132 1.00 0.00 N ATOM 756 CA GLY A 47 7.482 -7.450 -2.068 1.00 0.00 C ATOM 757 C GLY A 47 7.739 -6.012 -2.540 1.00 0.00 C ATOM 758 O GLY A 47 8.884 -5.564 -2.575 1.00 0.00 O ATOM 0 H GLY A 47 7.940 -9.061 -3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.655 -7.437 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.362 -7.798 -1.527 1.00 0.00 H new ATOM 762 N LYS A 48 6.654 -5.299 -2.859 1.00 0.00 N ATOM 763 CA LYS A 48 6.712 -3.863 -3.229 1.00 0.00 C ATOM 764 C LYS A 48 6.678 -2.945 -1.979 1.00 0.00 C ATOM 765 O LYS A 48 5.741 -3.020 -1.183 1.00 0.00 O ATOM 766 CB LYS A 48 5.590 -3.552 -4.257 1.00 0.00 C ATOM 767 CG LYS A 48 4.132 -3.567 -3.769 1.00 0.00 C ATOM 768 CD LYS A 48 3.572 -2.170 -3.441 1.00 0.00 C ATOM 769 CE LYS A 48 2.105 -2.258 -3.005 1.00 0.00 C ATOM 770 NZ LYS A 48 1.642 -0.975 -2.422 1.00 0.00 N ATOM 0 H LYS A 48 5.712 -5.689 -2.871 1.00 0.00 H new ATOM 0 HA LYS A 48 7.667 -3.649 -3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.789 -2.567 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.676 -4.272 -5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.507 -4.028 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.063 -4.194 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.164 -1.713 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.658 -1.525 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.483 -2.517 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.988 -3.057 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.633 -1.047 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.188 -0.767 -1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.780 -0.210 -3.113 1.00 0.00 H new ATOM 784 N ILE A 49 7.675 -2.070 -1.818 1.00 0.00 N ATOM 785 CA ILE A 49 7.649 -1.020 -0.762 1.00 0.00 C ATOM 786 C ILE A 49 7.969 0.333 -1.503 1.00 0.00 C ATOM 787 O ILE A 49 9.125 0.503 -1.910 1.00 0.00 O ATOM 788 CB ILE A 49 8.649 -1.276 0.425 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.498 -2.655 1.132 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.432 -0.191 1.526 1.00 0.00 C ATOM 791 CD1 ILE A 49 9.284 -3.800 0.492 1.00 0.00 C ATOM 0 H ILE A 49 8.514 -2.057 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 49 6.673 -1.010 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 49 9.637 -1.244 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.817 -2.551 2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.442 -2.924 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.124 -0.366 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.613 0.797 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.408 -0.246 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.114 -4.717 1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.951 -3.939 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.347 -3.561 0.500 1.00 0.00 H new ATOM 803 N PRO A 50 7.051 1.323 -1.675 1.00 0.00 N ATOM 804 CA PRO A 50 7.369 2.596 -2.420 1.00 0.00 C ATOM 805 C PRO A 50 8.147 3.720 -1.676 1.00 0.00 C ATOM 806 O PRO A 50 8.018 4.898 -2.009 1.00 0.00 O ATOM 807 CB PRO A 50 5.948 3.035 -2.871 1.00 0.00 C ATOM 808 CG PRO A 50 5.031 2.568 -1.716 1.00 0.00 C ATOM 809 CD PRO A 50 5.630 1.214 -1.298 1.00 0.00 C ATOM 0 HA PRO A 50 8.095 2.409 -3.211 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.890 4.114 -3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.668 2.571 -3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.034 3.279 -0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.996 2.464 -2.043 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.513 1.038 -0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.143 0.386 -1.812 1.00 0.00 H new ATOM 817 N LYS A 51 9.036 3.326 -0.767 1.00 0.00 N ATOM 818 CA LYS A 51 9.974 4.232 -0.067 1.00 0.00 C ATOM 819 C LYS A 51 11.129 4.811 -0.931 1.00 0.00 C ATOM 820 O LYS A 51 11.244 6.036 -0.890 1.00 0.00 O ATOM 821 CB LYS A 51 10.430 3.560 1.254 1.00 0.00 C ATOM 822 CG LYS A 51 9.737 4.120 2.521 1.00 0.00 C ATOM 823 CD LYS A 51 8.200 4.014 2.524 1.00 0.00 C ATOM 824 CE LYS A 51 7.540 4.813 3.666 1.00 0.00 C ATOM 825 NZ LYS A 51 6.327 5.519 3.171 1.00 0.00 N ATOM 0 H LYS A 51 9.135 2.351 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 51 9.427 5.144 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.236 2.489 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.508 3.683 1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.124 3.591 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.014 5.168 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.815 4.372 1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.914 2.966 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.270 4.141 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.249 5.535 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.613 5.553 3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.580 6.488 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.939 5.010 2.351 1.00 0.00 H new ATOM 839 N PRO A 52 11.953 4.100 -1.753 1.00 0.00 N ATOM 840 CA PRO A 52 12.857 4.783 -2.749 1.00 0.00 C ATOM 841 C PRO A 52 12.176 5.658 -3.843 1.00 0.00 C ATOM 842 O PRO A 52 12.767 6.655 -4.264 1.00 0.00 O ATOM 843 CB PRO A 52 13.689 3.605 -3.303 1.00 0.00 C ATOM 844 CG PRO A 52 12.776 2.370 -3.156 1.00 0.00 C ATOM 845 CD PRO A 52 11.991 2.629 -1.858 1.00 0.00 C ATOM 0 HA PRO A 52 13.451 5.562 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.964 3.771 -4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.617 3.479 -2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.108 2.266 -4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.358 1.451 -3.092 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.988 2.206 -1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.485 2.180 -0.996 1.00 0.00 H new ATOM 853 N PHE A 53 10.926 5.341 -4.237 1.00 0.00 N ATOM 854 CA PHE A 53 10.071 6.267 -5.024 1.00 0.00 C ATOM 855 C PHE A 53 9.642 7.525 -4.216 1.00 0.00 C ATOM 856 O PHE A 53 10.052 8.619 -4.599 1.00 0.00 O ATOM 857 CB PHE A 53 8.903 5.435 -5.604 1.00 0.00 C ATOM 858 CG PHE A 53 7.867 6.229 -6.417 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.163 6.720 -7.700 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.600 6.490 -5.874 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.199 7.411 -8.438 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.640 7.189 -6.607 1.00 0.00 C ATOM 863 CZ PHE A 53 5.936 7.640 -7.891 1.00 0.00 C ATOM 0 H PHE A 53 10.480 4.448 -4.024 1.00 0.00 H new ATOM 0 HA PHE A 53 10.631 6.700 -5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.317 4.653 -6.240 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.390 4.938 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.145 6.562 -8.120 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.365 6.146 -4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.431 7.768 -9.431 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.667 7.380 -6.178 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.187 8.167 -8.464 1.00 0.00 H new ATOM 873 N GLU A 54 8.872 7.385 -3.121 1.00 0.00 N ATOM 874 CA GLU A 54 8.446 8.538 -2.269 1.00 0.00 C ATOM 875 C GLU A 54 9.580 9.424 -1.650 1.00 0.00 C ATOM 876 O GLU A 54 9.367 10.626 -1.474 1.00 0.00 O ATOM 877 CB GLU A 54 7.462 7.983 -1.206 1.00 0.00 C ATOM 878 CG GLU A 54 6.647 9.065 -0.472 1.00 0.00 C ATOM 879 CD GLU A 54 5.484 8.549 0.359 1.00 0.00 C ATOM 880 OE1 GLU A 54 5.650 7.555 1.100 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.400 9.175 0.305 1.00 0.00 O ATOM 0 H GLU A 54 8.524 6.483 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 54 7.964 9.262 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.773 7.292 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.025 7.408 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.319 9.623 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.261 9.769 -1.209 1.00 0.00 H new ATOM 888 N ALA A 55 10.762 8.846 -1.381 1.00 0.00 N ATOM 889 CA ALA A 55 11.988 9.597 -1.044 1.00 0.00 C ATOM 890 C ALA A 55 12.545 10.488 -2.186 1.00 0.00 C ATOM 891 O ALA A 55 12.695 11.688 -1.969 1.00 0.00 O ATOM 892 CB ALA A 55 13.042 8.586 -0.572 1.00 0.00 C ATOM 0 H ALA A 55 10.897 7.835 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 55 11.730 10.307 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.961 9.112 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.670 8.056 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.244 7.871 -1.370 1.00 0.00 H new ATOM 898 N TRP A 56 12.813 9.948 -3.390 1.00 0.00 N ATOM 899 CA TRP A 56 13.208 10.785 -4.563 1.00 0.00 C ATOM 900 C TRP A 56 12.080 11.703 -5.143 1.00 0.00 C ATOM 901 O TRP A 56 12.368 12.834 -5.538 1.00 0.00 O ATOM 902 CB TRP A 56 13.832 9.847 -5.612 1.00 0.00 C ATOM 903 CG TRP A 56 14.792 10.587 -6.592 1.00 0.00 C ATOM 904 CD1 TRP A 56 16.098 11.047 -6.281 1.00 0.00 C ATOM 905 CD2 TRP A 56 14.601 10.929 -7.935 1.00 0.00 C ATOM 906 NE1 TRP A 56 16.719 11.660 -7.379 1.00 0.00 N ATOM 907 CE2 TRP A 56 15.786 11.571 -8.393 1.00 0.00 C ATOM 908 CE3 TRP A 56 13.505 10.726 -8.831 1.00 0.00 C ATOM 909 CZ2 TRP A 56 15.886 11.995 -9.747 1.00 0.00 C ATOM 910 CZ3 TRP A 56 13.630 11.155 -10.149 1.00 0.00 C ATOM 911 CH2 TRP A 56 14.807 11.781 -10.603 1.00 0.00 C ATOM 0 H TRP A 56 12.767 8.948 -3.586 1.00 0.00 H new ATOM 0 HA TRP A 56 13.939 11.520 -4.227 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.381 9.055 -5.103 1.00 0.00 H new ATOM 0 HB3 TRP A 56 13.037 9.368 -6.183 1.00 0.00 H new ATOM 0 HD1 TRP A 56 16.560 10.938 -5.311 1.00 0.00 H new ATOM 0 HE1 TRP A 56 17.649 12.077 -7.419 1.00 0.00 H new ATOM 0 HE3 TRP A 56 12.598 10.249 -8.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 16.784 12.475 -10.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 12.810 11.005 -10.836 1.00 0.00 H new ATOM 0 HH2 TRP A 56 14.875 12.101 -11.632 1.00 0.00 H new ATOM 922 N ILE A 57 10.806 11.283 -5.075 1.00 0.00 N ATOM 923 CA ILE A 57 9.627 12.213 -5.145 1.00 0.00 C ATOM 924 C ILE A 57 9.482 13.248 -3.955 1.00 0.00 C ATOM 925 O ILE A 57 8.573 14.083 -3.997 1.00 0.00 O ATOM 926 CB ILE A 57 8.384 11.305 -5.418 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.378 10.635 -6.829 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.993 11.865 -5.133 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.258 11.561 -8.033 1.00 0.00 C ATOM 0 H ILE A 57 10.547 10.302 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 57 9.761 12.926 -5.959 1.00 0.00 H new ATOM 0 HB ILE A 57 8.556 10.561 -4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.297 10.059 -6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.552 9.925 -6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.242 11.113 -5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.916 12.129 -4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.826 12.753 -5.743 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.266 10.970 -8.949 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.325 12.120 -7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.097 12.256 -8.042 1.00 0.00 H new ATOM 941 N GLY A 58 10.365 13.256 -2.947 1.00 0.00 N ATOM 942 CA GLY A 58 10.430 14.298 -1.900 1.00 0.00 C ATOM 943 C GLY A 58 11.760 15.047 -1.685 1.00 0.00 C ATOM 944 O GLY A 58 11.688 16.156 -1.159 1.00 0.00 O ATOM 0 H GLY A 58 11.069 12.527 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.665 15.041 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.155 13.833 -0.953 1.00 0.00 H new ATOM 948 N THR A 59 12.924 14.502 -2.083 1.00 0.00 N ATOM 949 CA THR A 59 14.266 15.135 -1.859 1.00 0.00 C ATOM 950 C THR A 59 14.392 16.647 -2.272 1.00 0.00 C ATOM 951 O THR A 59 14.910 17.457 -1.504 1.00 0.00 O ATOM 952 CB THR A 59 15.371 14.282 -2.581 1.00 0.00 C ATOM 953 OG1 THR A 59 15.264 12.898 -2.271 1.00 0.00 O ATOM 954 CG2 THR A 59 16.799 14.655 -2.192 1.00 0.00 C ATOM 0 H THR A 59 12.976 13.608 -2.572 1.00 0.00 H new ATOM 0 HA THR A 59 14.404 15.139 -0.778 1.00 0.00 H new ATOM 0 HB THR A 59 15.193 14.492 -3.636 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.332 12.681 -2.061 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.501 14.021 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.984 15.699 -2.445 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.933 14.512 -1.120 1.00 0.00 H new ATOM 962 N ALA A 60 13.878 16.973 -3.466 1.00 0.00 N ATOM 963 CA ALA A 60 13.596 18.373 -3.873 1.00 0.00 C ATOM 964 C ALA A 60 12.112 18.659 -4.277 1.00 0.00 C ATOM 965 O ALA A 60 11.617 19.756 -4.008 1.00 0.00 O ATOM 966 CB ALA A 60 14.569 18.743 -5.002 1.00 0.00 C ATOM 0 H ALA A 60 13.644 16.283 -4.180 1.00 0.00 H new ATOM 0 HA ALA A 60 13.748 19.005 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.383 19.769 -5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.594 18.655 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.421 18.069 -5.845 1.00 0.00 H new ATOM 972 N ALA A 61 11.404 17.692 -4.885 1.00 0.00 N ATOM 973 CA ALA A 61 9.996 17.842 -5.307 1.00 0.00 C ATOM 974 C ALA A 61 8.916 18.182 -4.241 1.00 0.00 C ATOM 975 O ALA A 61 7.924 18.813 -4.604 1.00 0.00 O ATOM 976 CB ALA A 61 9.626 16.544 -6.038 1.00 0.00 C ATOM 0 H ALA A 61 11.794 16.775 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 61 9.974 18.743 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.591 16.598 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.281 16.412 -6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.743 15.699 -5.360 1.00 0.00 H new ATOM 982 N TYR A 62 9.123 17.814 -2.965 1.00 0.00 N ATOM 983 CA TYR A 62 8.241 18.220 -1.833 1.00 0.00 C ATOM 984 C TYR A 62 7.818 19.718 -1.761 1.00 0.00 C ATOM 985 O TYR A 62 6.637 19.966 -1.528 1.00 0.00 O ATOM 986 CB TYR A 62 8.893 17.739 -0.516 1.00 0.00 C ATOM 987 CG TYR A 62 8.012 17.788 0.751 1.00 0.00 C ATOM 988 CD1 TYR A 62 6.819 17.043 0.866 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.418 18.563 1.842 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.060 17.094 2.040 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.666 18.603 3.019 1.00 0.00 C ATOM 992 CZ TYR A 62 6.485 17.869 3.116 1.00 0.00 C ATOM 993 OH TYR A 62 5.750 17.944 4.262 1.00 0.00 O ATOM 0 H TYR A 62 9.905 17.226 -2.678 1.00 0.00 H new ATOM 0 HA TYR A 62 7.283 17.732 -2.012 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.229 16.712 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.782 18.343 -0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.489 16.429 0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.328 19.140 1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.141 16.530 2.112 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.000 19.202 3.853 1.00 0.00 H new ATOM 0 HH TYR A 62 4.937 17.406 4.165 1.00 0.00 H new ATOM 1003 N THR A 63 8.715 20.687 -2.011 1.00 0.00 N ATOM 1004 CA THR A 63 8.310 22.124 -2.111 1.00 0.00 C ATOM 1005 C THR A 63 7.300 22.485 -3.250 1.00 0.00 C ATOM 1006 O THR A 63 6.395 23.289 -3.016 1.00 0.00 O ATOM 1007 CB THR A 63 9.550 23.046 -2.046 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.137 24.372 -1.726 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.421 23.149 -3.288 1.00 0.00 C ATOM 0 H THR A 63 9.712 20.519 -2.147 1.00 0.00 H new ATOM 0 HA THR A 63 7.701 22.314 -1.227 1.00 0.00 H new ATOM 0 HB THR A 63 10.169 22.566 -1.288 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.922 24.958 -1.683 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.251 23.829 -3.095 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.811 22.163 -3.542 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.826 23.529 -4.119 1.00 0.00 H new ATOM 1017 N ALA A 64 7.428 21.873 -4.442 1.00 0.00 N ATOM 1018 CA ALA A 64 6.381 21.955 -5.497 1.00 0.00 C ATOM 1019 C ALA A 64 5.110 21.077 -5.244 1.00 0.00 C ATOM 1020 O ALA A 64 3.991 21.531 -5.485 1.00 0.00 O ATOM 1021 CB ALA A 64 7.061 21.586 -6.825 1.00 0.00 C ATOM 0 H ALA A 64 8.241 21.316 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 64 5.985 22.970 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.331 21.632 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.870 22.288 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.465 20.576 -6.758 1.00 0.00 H new ATOM 1027 N TRP A 65 5.294 19.848 -4.739 1.00 0.00 N ATOM 1028 CA TRP A 65 4.204 18.979 -4.237 1.00 0.00 C ATOM 1029 C TRP A 65 3.279 19.587 -3.128 1.00 0.00 C ATOM 1030 O TRP A 65 2.058 19.461 -3.224 1.00 0.00 O ATOM 1031 CB TRP A 65 4.873 17.653 -3.771 1.00 0.00 C ATOM 1032 CG TRP A 65 4.052 16.406 -4.183 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.290 15.618 -5.332 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.881 15.894 -3.623 1.00 0.00 C ATOM 1035 NE1 TRP A 65 3.295 14.652 -5.518 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.416 14.859 -4.476 1.00 0.00 C ATOM 1037 CE3 TRP A 65 2.125 16.262 -2.466 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 1.173 14.227 -4.211 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.928 15.600 -2.214 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.447 14.609 -3.090 1.00 0.00 C ATOM 0 H TRP A 65 6.216 19.418 -4.664 1.00 0.00 H new ATOM 0 HA TRP A 65 3.500 18.829 -5.055 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.874 17.584 -4.197 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.988 17.668 -2.687 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.138 15.746 -5.988 1.00 0.00 H new ATOM 0 HE1 TRP A 65 3.234 13.952 -6.258 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.476 17.038 -1.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.797 13.460 -4.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.358 15.851 -1.331 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.503 14.137 -2.887 1.00 0.00 H new ATOM 1051 N LYS A 66 3.862 20.261 -2.132 1.00 0.00 N ATOM 1052 CA LYS A 66 3.129 21.047 -1.105 1.00 0.00 C ATOM 1053 C LYS A 66 2.275 22.255 -1.620 1.00 0.00 C ATOM 1054 O LYS A 66 1.210 22.511 -1.059 1.00 0.00 O ATOM 1055 CB LYS A 66 4.166 21.519 -0.046 1.00 0.00 C ATOM 1056 CG LYS A 66 4.667 20.407 0.898 1.00 0.00 C ATOM 1057 CD LYS A 66 3.680 20.023 2.008 1.00 0.00 C ATOM 1058 CE LYS A 66 3.606 21.044 3.152 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.513 20.641 4.066 1.00 0.00 N ATOM 0 H LYS A 66 4.874 20.283 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 66 2.376 20.378 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.022 21.953 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.719 22.313 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.892 19.520 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.602 20.730 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.687 19.905 1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.966 19.054 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.554 21.083 3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.422 22.043 2.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.207 21.463 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.710 20.282 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.853 19.895 4.706 1.00 0.00 H new ATOM 1073 N ALA A 67 2.706 22.955 -2.685 1.00 0.00 N ATOM 1074 CA ALA A 67 1.806 23.847 -3.461 1.00 0.00 C ATOM 1075 C ALA A 67 0.643 23.140 -4.235 1.00 0.00 C ATOM 1076 O ALA A 67 -0.463 23.675 -4.261 1.00 0.00 O ATOM 1077 CB ALA A 67 2.691 24.670 -4.405 1.00 0.00 C ATOM 0 H ALA A 67 3.665 22.925 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 67 1.271 24.473 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.067 25.341 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.401 25.255 -3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.235 24.000 -5.071 1.00 0.00 H new ATOM 1083 N LYS A 68 0.875 21.958 -4.834 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.200 21.172 -5.500 1.00 0.00 C ATOM 1085 C LYS A 68 -1.217 20.466 -4.541 1.00 0.00 C ATOM 1086 O LYS A 68 -2.407 20.448 -4.865 1.00 0.00 O ATOM 1087 CB LYS A 68 0.490 20.149 -6.445 1.00 0.00 C ATOM 1088 CG LYS A 68 1.198 20.806 -7.656 1.00 0.00 C ATOM 1089 CD LYS A 68 2.411 19.984 -8.125 1.00 0.00 C ATOM 1090 CE LYS A 68 3.150 20.682 -9.279 1.00 0.00 C ATOM 1091 NZ LYS A 68 4.225 19.806 -9.823 1.00 0.00 N ATOM 0 H LYS A 68 1.795 21.519 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.826 21.876 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.220 19.575 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.256 19.443 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.490 20.910 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.523 21.811 -7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.096 19.834 -7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.081 18.996 -8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.444 20.933 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.581 21.619 -8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.998 20.395 -10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.589 19.193 -9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.839 19.218 -10.589 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.783 19.869 -3.421 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.688 19.220 -2.428 1.00 0.00 C ATOM 1107 C HIS A 69 -1.241 19.527 -0.947 1.00 0.00 C ATOM 1108 O HIS A 69 -0.046 19.742 -0.722 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.731 17.704 -2.716 1.00 0.00 C ATOM 1110 CG HIS A 69 -3.037 17.189 -3.336 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.830 16.241 -2.706 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.571 17.473 -4.621 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.779 16.024 -3.664 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -4.710 16.721 -4.834 1.00 0.00 N ATOM 0 H HIS A 69 0.203 19.816 -3.167 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.693 19.631 -2.529 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.908 17.455 -3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.556 17.169 -1.783 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.149 18.173 -5.327 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.573 15.311 -3.497 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.329 16.694 -5.644 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.132 19.544 0.088 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.849 20.253 1.388 1.00 0.00 C ATOM 1125 C PRO A 70 -0.752 19.634 2.272 1.00 0.00 C ATOM 1126 O PRO A 70 0.336 20.210 2.368 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.260 20.401 2.008 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.062 19.209 1.434 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.537 19.090 -0.007 1.00 0.00 C ATOM 0 HA PRO A 70 -1.368 21.221 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.221 20.366 3.097 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.715 21.353 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.887 18.296 2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.135 19.398 1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.602 18.065 -0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.112 19.711 -0.694 1.00 0.00 H new ATOM 1137 N ASP A 71 -0.955 18.459 2.875 1.00 0.00 N ATOM 1138 CA ASP A 71 0.150 17.482 3.052 1.00 0.00 C ATOM 1139 C ASP A 71 -0.389 16.041 2.821 1.00 0.00 C ATOM 1140 O ASP A 71 -0.495 15.221 3.741 1.00 0.00 O ATOM 1141 CB ASP A 71 0.824 17.682 4.421 1.00 0.00 C ATOM 1142 CG ASP A 71 2.324 17.384 4.447 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.883 16.808 3.488 1.00 0.00 O ATOM 1144 OD2 ASP A 71 2.980 17.830 5.410 1.00 0.00 O ATOM 0 H ASP A 71 -1.855 18.154 3.247 1.00 0.00 H new ATOM 0 HA ASP A 71 0.930 17.648 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.667 18.712 4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.328 17.043 5.151 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.729 15.731 1.559 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.193 14.369 1.194 1.00 0.00 C ATOM 1151 C GLU A 72 -0.073 13.275 1.199 1.00 0.00 C ATOM 1152 O GLU A 72 -0.332 12.171 1.651 1.00 0.00 O ATOM 1153 CB GLU A 72 -1.950 14.393 -0.162 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.285 13.619 -0.135 1.00 0.00 C ATOM 1155 CD GLU A 72 -4.386 14.404 0.565 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -4.364 15.648 0.519 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -5.297 13.780 1.129 1.00 0.00 O ATOM 0 H GLU A 72 -0.695 16.389 0.780 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.880 14.071 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.145 15.428 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.309 13.969 -0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.594 13.393 -1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.141 12.665 0.373 1.00 0.00 H new ATOM 1164 N LYS A 73 1.125 13.572 0.681 1.00 0.00 N ATOM 1165 CA LYS A 73 2.271 12.619 0.606 1.00 0.00 C ATOM 1166 C LYS A 73 3.044 12.475 1.946 1.00 0.00 C ATOM 1167 O LYS A 73 3.208 13.453 2.679 1.00 0.00 O ATOM 1168 CB LYS A 73 3.099 13.198 -0.566 1.00 0.00 C ATOM 1169 CG LYS A 73 4.351 12.452 -1.026 1.00 0.00 C ATOM 1170 CD LYS A 73 5.614 12.774 -0.228 1.00 0.00 C ATOM 1171 CE LYS A 73 6.908 12.891 -1.039 1.00 0.00 C ATOM 1172 NZ LYS A 73 6.886 14.131 -1.862 1.00 0.00 N ATOM 0 H LYS A 73 1.342 14.490 0.293 1.00 0.00 H new ATOM 0 HA LYS A 73 1.974 11.585 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.435 13.288 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.401 14.208 -0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.162 11.380 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.531 12.685 -2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.455 13.713 0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.750 12.000 0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.767 12.906 -0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.022 12.019 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.308 13.938 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.903 14.447 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.431 14.876 -1.382 1.00 0.00 H new ATOM 1186 N PHE A 74 3.548 11.263 2.260 1.00 0.00 N ATOM 1187 CA PHE A 74 4.328 11.037 3.517 1.00 0.00 C ATOM 1188 C PHE A 74 5.762 11.674 3.435 1.00 0.00 C ATOM 1189 O PHE A 74 6.505 11.282 2.528 1.00 0.00 O ATOM 1190 CB PHE A 74 4.420 9.510 3.775 1.00 0.00 C ATOM 1191 CG PHE A 74 4.884 9.150 5.197 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.953 9.029 6.240 1.00 0.00 C ATOM 1193 CD2 PHE A 74 6.248 8.972 5.485 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.375 8.743 7.539 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.669 8.691 6.785 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.732 8.576 7.810 1.00 0.00 C ATOM 0 H PHE A 74 3.437 10.433 1.678 1.00 0.00 H new ATOM 0 HA PHE A 74 3.814 11.525 4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.443 9.061 3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.110 9.070 3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.900 9.158 6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.977 9.054 4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.650 8.651 8.334 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.720 8.563 6.997 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.058 8.357 8.816 1.00 0.00 H new ATOM 1206 N PRO A 75 6.213 12.603 4.319 1.00 0.00 N ATOM 1207 CA PRO A 75 7.505 13.347 4.119 1.00 0.00 C ATOM 1208 C PRO A 75 8.784 12.495 4.313 1.00 0.00 C ATOM 1209 O PRO A 75 9.386 12.431 5.389 1.00 0.00 O ATOM 1210 CB PRO A 75 7.351 14.540 5.094 1.00 0.00 C ATOM 1211 CG PRO A 75 6.407 14.031 6.204 1.00 0.00 C ATOM 1212 CD PRO A 75 5.429 13.104 5.466 1.00 0.00 C ATOM 0 HA PRO A 75 7.659 13.665 3.088 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.315 14.842 5.504 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.933 15.411 4.589 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.955 13.496 6.980 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.885 14.854 6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.091 12.289 6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.539 13.641 5.138 1.00 0.00 H new ATOM 1220 N ALA A 76 9.172 11.841 3.213 1.00 0.00 N ATOM 1221 CA ALA A 76 10.266 10.855 3.194 1.00 0.00 C ATOM 1222 C ALA A 76 11.572 11.438 2.586 1.00 0.00 C ATOM 1223 O ALA A 76 11.571 12.062 1.518 1.00 0.00 O ATOM 1224 CB ALA A 76 9.748 9.665 2.362 1.00 0.00 C ATOM 0 H ALA A 76 8.734 11.980 2.302 1.00 0.00 H new ATOM 0 HA ALA A 76 10.529 10.554 4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.518 8.895 2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.855 9.254 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.505 10.004 1.355 1.00 0.00 H new ATOM 1230 N PHE A 77 12.684 11.194 3.279 1.00 0.00 N ATOM 1231 CA PHE A 77 14.050 11.537 2.799 1.00 0.00 C ATOM 1232 C PHE A 77 14.800 10.300 2.187 1.00 0.00 C ATOM 1233 O PHE A 77 14.445 9.163 2.527 1.00 0.00 O ATOM 1234 CB PHE A 77 14.819 12.200 3.980 1.00 0.00 C ATOM 1235 CG PHE A 77 15.285 11.281 5.124 1.00 0.00 C ATOM 1236 CD1 PHE A 77 14.424 10.951 6.184 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.575 10.723 5.106 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.841 10.082 7.194 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.989 9.853 6.115 1.00 0.00 C ATOM 1240 CZ PHE A 77 16.122 9.534 7.157 1.00 0.00 C ATOM 0 H PHE A 77 12.677 10.750 4.197 1.00 0.00 H new ATOM 0 HA PHE A 77 13.986 12.245 1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.696 12.702 3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.180 12.973 4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.431 11.373 6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 77 17.253 10.970 4.302 1.00 0.00 H new ATOM 0 HE1 PHE A 77 14.171 9.834 8.004 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.981 9.427 6.088 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.443 8.861 7.938 1.00 0.00 H new ATOM 1250 N PRO A 78 15.862 10.437 1.347 1.00 0.00 N ATOM 1251 CA PRO A 78 16.662 9.258 0.878 1.00 0.00 C ATOM 1252 C PRO A 78 17.651 8.739 1.958 1.00 0.00 C ATOM 1253 O PRO A 78 18.678 9.366 2.236 1.00 0.00 O ATOM 1254 CB PRO A 78 17.346 9.833 -0.390 1.00 0.00 C ATOM 1255 CG PRO A 78 17.537 11.337 -0.084 1.00 0.00 C ATOM 1256 CD PRO A 78 16.296 11.715 0.744 1.00 0.00 C ATOM 0 HA PRO A 78 16.072 8.365 0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.301 9.343 -0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.728 9.684 -1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.457 11.516 0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.599 11.925 -1.000 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.536 12.455 1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.515 12.146 0.118 1.00 0.00 H new ATOM 1264 N GLY A 79 17.309 7.594 2.569 1.00 0.00 N ATOM 1265 CA GLY A 79 18.090 7.024 3.685 1.00 0.00 C ATOM 1266 C GLY A 79 18.203 5.507 3.588 1.00 0.00 C ATOM 1267 O GLY A 79 17.888 4.755 4.508 1.00 0.00 O ATOM 0 H GLY A 79 16.493 7.040 2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 79 19.088 7.462 3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.620 7.293 4.631 1.00 0.00 H new