USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 702 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 88 HIS : no HD1:sc= -1.37 K(o=-1.7,f=-0.8) USER MOD Set 1.2: A 92 SER OG : rot -119:sc= -0.319 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0676 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.46 X(o=-2.5,f=-2.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 39:sc= 1.08 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 122:sc= 0.643 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.52 X(o=-0.52,f=-0.075) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 65 SER OG : rot 88:sc= 0.00258 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -140:sc= -0.77 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.824 K(o=-0.82,f=-6.1!) USER MOD Single : A 78 TYR OH : rot -14:sc= 0.867 USER MOD Single : A 81 SER OG : rot -5:sc= -1.01! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.58 K(o=-1.6,f=-7.2!) USER MOD Single : A 94 TYR OH : rot 0:sc= -5.07! USER MOD Single : A 102 SER OG : rot 33:sc= 0.0404 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.987 11.362 0.449 1.00 0.00 N ATOM 2 CA GLY A 1 -21.698 12.462 1.075 1.00 0.00 C ATOM 3 C GLY A 1 -21.015 13.797 0.849 1.00 0.00 C ATOM 4 O GLY A 1 -19.843 13.848 0.478 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.569 10.962 -0.314 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.090 11.709 0.054 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.792 10.627 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.713 12.505 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.779 12.276 2.146 1.00 0.00 H new ATOM 8 N SER A 2 -21.752 14.881 1.071 1.00 0.00 N ATOM 9 CA SER A 2 -21.213 16.223 0.884 1.00 0.00 C ATOM 10 C SER A 2 -20.387 16.651 2.093 1.00 0.00 C ATOM 11 O SER A 2 -19.290 17.191 1.950 1.00 0.00 O ATOM 12 CB SER A 2 -22.347 17.223 0.647 1.00 0.00 C ATOM 13 OG SER A 2 -23.041 16.932 -0.553 1.00 0.00 O ATOM 0 H SER A 2 -22.724 14.856 1.380 1.00 0.00 H new ATOM 0 HA SER A 2 -20.563 16.207 0.009 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.041 17.197 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.941 18.234 0.600 1.00 0.00 H new ATOM 0 HG SER A 2 -23.761 17.584 -0.681 1.00 0.00 H new ATOM 19 N SER A 3 -20.922 16.403 3.285 1.00 0.00 N ATOM 20 CA SER A 3 -20.237 16.766 4.520 1.00 0.00 C ATOM 21 C SER A 3 -18.906 16.030 4.639 1.00 0.00 C ATOM 22 O SER A 3 -18.780 14.880 4.221 1.00 0.00 O ATOM 23 CB SER A 3 -21.119 16.446 5.729 1.00 0.00 C ATOM 24 OG SER A 3 -21.168 15.050 5.970 1.00 0.00 O ATOM 0 H SER A 3 -21.827 15.953 3.421 1.00 0.00 H new ATOM 0 HA SER A 3 -20.039 17.838 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.732 16.957 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.127 16.824 5.558 1.00 0.00 H new ATOM 0 HG SER A 3 -21.736 14.872 6.748 1.00 0.00 H new ATOM 30 N GLY A 4 -17.913 16.704 5.212 1.00 0.00 N ATOM 31 CA GLY A 4 -16.604 16.101 5.375 1.00 0.00 C ATOM 32 C GLY A 4 -15.480 17.108 5.237 1.00 0.00 C ATOM 33 O GLY A 4 -15.713 18.264 4.883 1.00 0.00 O ATOM 0 H GLY A 4 -17.993 17.657 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.545 15.628 6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.475 15.314 4.632 1.00 0.00 H new ATOM 37 N SER A 5 -14.257 16.669 5.517 1.00 0.00 N ATOM 38 CA SER A 5 -13.093 17.543 5.427 1.00 0.00 C ATOM 39 C SER A 5 -12.313 17.279 4.142 1.00 0.00 C ATOM 40 O SER A 5 -11.595 16.284 4.033 1.00 0.00 O ATOM 41 CB SER A 5 -12.183 17.342 6.640 1.00 0.00 C ATOM 42 OG SER A 5 -12.715 17.979 7.788 1.00 0.00 O ATOM 0 H SER A 5 -14.047 15.714 5.808 1.00 0.00 H new ATOM 0 HA SER A 5 -13.444 18.575 5.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.062 16.276 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.192 17.741 6.425 1.00 0.00 H new ATOM 0 HG SER A 5 -12.116 17.834 8.550 1.00 0.00 H new ATOM 48 N SER A 6 -12.461 18.174 3.173 1.00 0.00 N ATOM 49 CA SER A 6 -11.774 18.037 1.893 1.00 0.00 C ATOM 50 C SER A 6 -11.562 19.399 1.241 1.00 0.00 C ATOM 51 O SER A 6 -12.092 20.410 1.702 1.00 0.00 O ATOM 52 CB SER A 6 -12.574 17.129 0.956 1.00 0.00 C ATOM 53 OG SER A 6 -13.707 17.804 0.437 1.00 0.00 O ATOM 0 H SER A 6 -13.051 19.003 3.248 1.00 0.00 H new ATOM 0 HA SER A 6 -10.799 17.587 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.938 16.796 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.893 16.237 1.494 1.00 0.00 H new ATOM 0 HG SER A 6 -14.201 17.204 -0.160 1.00 0.00 H new ATOM 59 N GLY A 7 -10.781 19.418 0.165 1.00 0.00 N ATOM 60 CA GLY A 7 -10.512 20.662 -0.534 1.00 0.00 C ATOM 61 C GLY A 7 -9.112 21.182 -0.272 1.00 0.00 C ATOM 62 O GLY A 7 -8.283 21.234 -1.181 1.00 0.00 O ATOM 0 H GLY A 7 -10.330 18.595 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.645 20.510 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.239 21.413 -0.226 1.00 0.00 H new ATOM 66 N GLU A 8 -8.850 21.571 0.972 1.00 0.00 N ATOM 67 CA GLU A 8 -7.542 22.092 1.348 1.00 0.00 C ATOM 68 C GLU A 8 -6.426 21.321 0.647 1.00 0.00 C ATOM 69 O GLU A 8 -5.573 21.910 -0.017 1.00 0.00 O ATOM 70 CB GLU A 8 -7.354 22.014 2.865 1.00 0.00 C ATOM 71 CG GLU A 8 -8.340 22.867 3.645 1.00 0.00 C ATOM 72 CD GLU A 8 -7.859 23.181 5.048 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.872 23.934 5.182 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.469 22.674 6.012 1.00 0.00 O ATOM 0 H GLU A 8 -9.526 21.535 1.735 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.492 23.135 1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.454 20.976 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.340 22.327 3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.513 23.799 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.298 22.349 3.701 1.00 0.00 H new ATOM 81 N GLY A 9 -6.439 20.001 0.801 1.00 0.00 N ATOM 82 CA GLY A 9 -5.425 19.171 0.178 1.00 0.00 C ATOM 83 C GLY A 9 -4.454 18.588 1.186 1.00 0.00 C ATOM 84 O GLY A 9 -4.045 19.265 2.128 1.00 0.00 O ATOM 0 H GLY A 9 -7.134 19.491 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.908 18.360 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.874 19.763 -0.553 1.00 0.00 H new ATOM 88 N GLY A 10 -4.084 17.327 0.987 1.00 0.00 N ATOM 89 CA GLY A 10 -3.159 16.673 1.894 1.00 0.00 C ATOM 90 C GLY A 10 -3.138 15.168 1.716 1.00 0.00 C ATOM 91 O GLY A 10 -2.865 14.670 0.624 1.00 0.00 O ATOM 0 H GLY A 10 -4.408 16.746 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.156 17.069 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.434 16.910 2.922 1.00 0.00 H new ATOM 95 N ALA A 11 -3.425 14.441 2.791 1.00 0.00 N ATOM 96 CA ALA A 11 -3.438 12.985 2.749 1.00 0.00 C ATOM 97 C ALA A 11 -4.643 12.469 1.970 1.00 0.00 C ATOM 98 O ALA A 11 -4.495 11.784 0.958 1.00 0.00 O ATOM 99 CB ALA A 11 -3.436 12.416 4.160 1.00 0.00 C ATOM 0 H ALA A 11 -3.652 14.838 3.703 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.536 12.653 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.446 11.327 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.541 12.749 4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.320 12.764 4.694 1.00 0.00 H new ATOM 105 N HIS A 12 -5.838 12.802 2.450 1.00 0.00 N ATOM 106 CA HIS A 12 -7.070 12.371 1.799 1.00 0.00 C ATOM 107 C HIS A 12 -6.905 12.351 0.282 1.00 0.00 C ATOM 108 O HIS A 12 -7.452 11.487 -0.402 1.00 0.00 O ATOM 109 CB HIS A 12 -8.226 13.295 2.185 1.00 0.00 C ATOM 110 CG HIS A 12 -8.039 14.711 1.732 1.00 0.00 C ATOM 111 ND1 HIS A 12 -7.389 15.663 2.488 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.420 15.332 0.592 1.00 0.00 C ATOM 113 CE1 HIS A 12 -7.379 16.810 1.832 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.999 16.636 0.679 1.00 0.00 N ATOM 0 H HIS A 12 -5.979 13.368 3.287 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.295 11.359 2.136 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.150 12.905 1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.345 13.282 3.268 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.955 14.885 -0.233 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.939 17.733 2.180 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.142 17.354 -0.031 1.00 0.00 H new ATOM 122 N LYS A 13 -6.147 13.311 -0.238 1.00 0.00 N ATOM 123 CA LYS A 13 -5.908 13.405 -1.674 1.00 0.00 C ATOM 124 C LYS A 13 -5.160 12.177 -2.182 1.00 0.00 C ATOM 125 O LYS A 13 -5.665 11.435 -3.023 1.00 0.00 O ATOM 126 CB LYS A 13 -5.112 14.671 -1.997 1.00 0.00 C ATOM 127 CG LYS A 13 -5.922 15.950 -1.868 1.00 0.00 C ATOM 128 CD LYS A 13 -6.626 16.298 -3.169 1.00 0.00 C ATOM 129 CE LYS A 13 -7.958 15.574 -3.294 1.00 0.00 C ATOM 130 NZ LYS A 13 -8.910 16.311 -4.170 1.00 0.00 N ATOM 0 H LYS A 13 -5.687 14.035 0.314 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.874 13.453 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.251 14.728 -1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.725 14.597 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.659 15.836 -1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.265 16.770 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.790 17.374 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.987 16.034 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.792 14.575 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.398 15.449 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.805 15.785 -4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.089 17.255 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.502 16.408 -5.122 1.00 0.00 H new ATOM 144 N VAL A 14 -3.954 11.969 -1.664 1.00 0.00 N ATOM 145 CA VAL A 14 -3.137 10.829 -2.064 1.00 0.00 C ATOM 146 C VAL A 14 -4.001 9.605 -2.346 1.00 0.00 C ATOM 147 O VAL A 14 -5.036 9.403 -1.709 1.00 0.00 O ATOM 148 CB VAL A 14 -2.100 10.474 -0.981 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.185 9.359 -1.463 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.295 11.704 -0.590 1.00 0.00 C ATOM 0 H VAL A 14 -3.521 12.575 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.615 11.119 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.631 10.120 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.459 9.122 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.779 8.473 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.660 9.682 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.568 11.434 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.774 12.091 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.966 12.469 -0.200 1.00 0.00 H new ATOM 160 N ARG A 15 -3.570 8.791 -3.303 1.00 0.00 N ATOM 161 CA ARG A 15 -4.305 7.586 -3.670 1.00 0.00 C ATOM 162 C ARG A 15 -3.350 6.426 -3.933 1.00 0.00 C ATOM 163 O ARG A 15 -2.284 6.606 -4.521 1.00 0.00 O ATOM 164 CB ARG A 15 -5.163 7.845 -4.910 1.00 0.00 C ATOM 165 CG ARG A 15 -6.486 8.526 -4.603 1.00 0.00 C ATOM 166 CD ARG A 15 -7.477 8.359 -5.745 1.00 0.00 C ATOM 167 NE ARG A 15 -8.148 7.062 -5.701 1.00 0.00 N ATOM 168 CZ ARG A 15 -9.244 6.779 -6.396 1.00 0.00 C ATOM 169 NH1 ARG A 15 -9.790 7.695 -7.185 1.00 0.00 N ATOM 170 NH2 ARG A 15 -9.796 5.575 -6.305 1.00 0.00 N ATOM 0 H ARG A 15 -2.716 8.943 -3.839 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.954 7.318 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.599 8.463 -5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.360 6.897 -5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.908 8.108 -3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.316 9.587 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.221 9.154 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.956 8.466 -6.696 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.754 6.335 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.368 8.621 -7.260 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.632 7.474 -7.717 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.378 4.867 -5.701 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.638 5.358 -6.839 1.00 0.00 H new ATOM 184 N ALA A 16 -3.740 5.234 -3.491 1.00 0.00 N ATOM 185 CA ALA A 16 -2.919 4.044 -3.679 1.00 0.00 C ATOM 186 C ALA A 16 -3.752 2.883 -4.214 1.00 0.00 C ATOM 187 O ALA A 16 -4.695 2.433 -3.567 1.00 0.00 O ATOM 188 CB ALA A 16 -2.246 3.655 -2.371 1.00 0.00 C ATOM 0 H ALA A 16 -4.619 5.067 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.149 4.275 -4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.636 2.765 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.613 4.474 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.006 3.447 -1.618 1.00 0.00 H new ATOM 194 N GLY A 17 -3.394 2.403 -5.401 1.00 0.00 N ATOM 195 CA GLY A 17 -4.119 1.299 -6.004 1.00 0.00 C ATOM 196 C GLY A 17 -3.270 0.513 -6.983 1.00 0.00 C ATOM 197 O GLY A 17 -2.486 1.089 -7.736 1.00 0.00 O ATOM 0 H GLY A 17 -2.615 2.758 -5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.476 0.631 -5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.999 1.685 -6.519 1.00 0.00 H new ATOM 201 N GLY A 18 -3.425 -0.807 -6.972 1.00 0.00 N ATOM 202 CA GLY A 18 -2.658 -1.651 -7.869 1.00 0.00 C ATOM 203 C GLY A 18 -2.979 -3.122 -7.698 1.00 0.00 C ATOM 204 O GLY A 18 -3.729 -3.515 -6.803 1.00 0.00 O ATOM 0 H GLY A 18 -4.068 -1.307 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.857 -1.356 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.594 -1.492 -7.692 1.00 0.00 H new ATOM 208 N PRO A 19 -2.404 -3.964 -8.570 1.00 0.00 N ATOM 209 CA PRO A 19 -2.620 -5.413 -8.531 1.00 0.00 C ATOM 210 C PRO A 19 -1.963 -6.065 -7.319 1.00 0.00 C ATOM 211 O PRO A 19 -2.137 -7.257 -7.072 1.00 0.00 O ATOM 212 CB PRO A 19 -1.963 -5.904 -9.823 1.00 0.00 C ATOM 213 CG PRO A 19 -0.935 -4.873 -10.142 1.00 0.00 C ATOM 214 CD PRO A 19 -1.499 -3.565 -9.661 1.00 0.00 C ATOM 0 HA PRO A 19 -3.677 -5.665 -8.451 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.510 -6.886 -9.688 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.693 -5.997 -10.627 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.009 -5.097 -9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.733 -4.841 -11.213 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.715 -2.895 -9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.032 -3.041 -10.454 1.00 0.00 H new ATOM 222 N GLY A 20 -1.205 -5.274 -6.565 1.00 0.00 N ATOM 223 CA GLY A 20 -0.534 -5.792 -5.387 1.00 0.00 C ATOM 224 C GLY A 20 -1.297 -5.503 -4.110 1.00 0.00 C ATOM 225 O GLY A 20 -1.202 -6.252 -3.138 1.00 0.00 O ATOM 0 H GLY A 20 -1.044 -4.284 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.402 -6.869 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.462 -5.354 -5.318 1.00 0.00 H new ATOM 229 N LEU A 21 -2.056 -4.412 -4.111 1.00 0.00 N ATOM 230 CA LEU A 21 -2.837 -4.023 -2.942 1.00 0.00 C ATOM 231 C LEU A 21 -4.092 -4.882 -2.816 1.00 0.00 C ATOM 232 O LEU A 21 -4.520 -5.213 -1.711 1.00 0.00 O ATOM 233 CB LEU A 21 -3.225 -2.546 -3.031 1.00 0.00 C ATOM 234 CG LEU A 21 -2.155 -1.545 -2.592 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.672 -0.120 -2.725 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.717 -1.824 -1.161 1.00 0.00 C ATOM 0 H LEU A 21 -2.147 -3.782 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.221 -4.178 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.501 -2.325 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.115 -2.387 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.289 -1.659 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.898 0.579 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.935 0.076 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.554 0.007 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.956 -1.102 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.575 -1.739 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.306 -2.831 -1.096 1.00 0.00 H new ATOM 248 N GLU A 22 -4.674 -5.242 -3.956 1.00 0.00 N ATOM 249 CA GLU A 22 -5.878 -6.064 -3.972 1.00 0.00 C ATOM 250 C GLU A 22 -5.644 -7.386 -3.245 1.00 0.00 C ATOM 251 O GLU A 22 -6.365 -7.726 -2.307 1.00 0.00 O ATOM 252 CB GLU A 22 -6.320 -6.333 -5.412 1.00 0.00 C ATOM 253 CG GLU A 22 -6.815 -5.094 -6.137 1.00 0.00 C ATOM 254 CD GLU A 22 -8.285 -4.819 -5.885 1.00 0.00 C ATOM 255 OE1 GLU A 22 -9.124 -5.646 -6.299 1.00 0.00 O ATOM 256 OE2 GLU A 22 -8.596 -3.776 -5.272 1.00 0.00 O ATOM 0 H GLU A 22 -4.331 -4.977 -4.880 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.666 -5.518 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.484 -6.759 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.112 -7.081 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.228 -4.232 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.650 -5.214 -7.208 1.00 0.00 H new ATOM 263 N ARG A 23 -4.632 -8.126 -3.685 1.00 0.00 N ATOM 264 CA ARG A 23 -4.304 -9.410 -3.079 1.00 0.00 C ATOM 265 C ARG A 23 -2.827 -9.740 -3.272 1.00 0.00 C ATOM 266 O ARG A 23 -2.203 -9.303 -4.237 1.00 0.00 O ATOM 267 CB ARG A 23 -5.169 -10.518 -3.681 1.00 0.00 C ATOM 268 CG ARG A 23 -5.394 -11.694 -2.743 1.00 0.00 C ATOM 269 CD ARG A 23 -5.698 -12.969 -3.512 1.00 0.00 C ATOM 270 NE ARG A 23 -6.313 -13.987 -2.664 1.00 0.00 N ATOM 271 CZ ARG A 23 -7.514 -13.855 -2.112 1.00 0.00 C ATOM 272 NH1 ARG A 23 -8.226 -12.756 -2.320 1.00 0.00 N ATOM 273 NH2 ARG A 23 -8.005 -14.825 -1.351 1.00 0.00 N ATOM 0 H ARG A 23 -4.025 -7.858 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.506 -9.342 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.135 -10.100 -3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.698 -10.879 -4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.508 -11.843 -2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.220 -11.469 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.364 -12.740 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.776 -13.363 -3.940 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.792 -14.846 -2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.852 -12.009 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.148 -12.658 -1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.460 -15.672 -1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.927 -14.723 -0.927 1.00 0.00 H new ATOM 287 N GLY A 24 -2.273 -10.516 -2.344 1.00 0.00 N ATOM 288 CA GLY A 24 -0.874 -10.892 -2.431 1.00 0.00 C ATOM 289 C GLY A 24 -0.670 -12.392 -2.353 1.00 0.00 C ATOM 290 O GLY A 24 -1.620 -13.142 -2.129 1.00 0.00 O ATOM 0 H GLY A 24 -2.768 -10.890 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.459 -10.520 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.321 -10.411 -1.624 1.00 0.00 H new ATOM 294 N GLU A 25 0.571 -12.830 -2.541 1.00 0.00 N ATOM 295 CA GLU A 25 0.894 -14.251 -2.494 1.00 0.00 C ATOM 296 C GLU A 25 2.180 -14.491 -1.710 1.00 0.00 C ATOM 297 O GLU A 25 3.154 -13.752 -1.854 1.00 0.00 O ATOM 298 CB GLU A 25 1.035 -14.813 -3.910 1.00 0.00 C ATOM 299 CG GLU A 25 -0.275 -15.305 -4.503 1.00 0.00 C ATOM 300 CD GLU A 25 -0.307 -15.199 -6.015 1.00 0.00 C ATOM 301 OE1 GLU A 25 0.633 -15.703 -6.665 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.271 -14.611 -6.549 1.00 0.00 O ATOM 0 H GLU A 25 1.368 -12.222 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 25 0.078 -14.765 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.450 -14.042 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.749 -15.636 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.434 -16.343 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.099 -14.727 -4.084 1.00 0.00 H new ATOM 309 N ALA A 26 2.176 -15.529 -0.879 1.00 0.00 N ATOM 310 CA ALA A 26 3.343 -15.867 -0.074 1.00 0.00 C ATOM 311 C ALA A 26 4.497 -16.342 -0.950 1.00 0.00 C ATOM 312 O ALA A 26 4.329 -17.228 -1.788 1.00 0.00 O ATOM 313 CB ALA A 26 2.984 -16.932 0.952 1.00 0.00 C ATOM 0 H ALA A 26 1.378 -16.150 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 26 3.666 -14.967 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.864 -17.176 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.197 -16.557 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.633 -17.828 0.439 1.00 0.00 H new ATOM 319 N GLY A 27 5.668 -15.747 -0.752 1.00 0.00 N ATOM 320 CA GLY A 27 6.833 -16.123 -1.533 1.00 0.00 C ATOM 321 C GLY A 27 6.897 -15.399 -2.863 1.00 0.00 C ATOM 322 O GLY A 27 7.820 -15.610 -3.649 1.00 0.00 O ATOM 0 H GLY A 27 5.832 -15.011 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.735 -15.907 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.817 -17.199 -1.709 1.00 0.00 H new ATOM 326 N VAL A 28 5.912 -14.543 -3.117 1.00 0.00 N ATOM 327 CA VAL A 28 5.860 -13.786 -4.362 1.00 0.00 C ATOM 328 C VAL A 28 5.888 -12.285 -4.094 1.00 0.00 C ATOM 329 O VAL A 28 5.212 -11.776 -3.200 1.00 0.00 O ATOM 330 CB VAL A 28 4.596 -14.127 -5.173 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.536 -13.292 -6.444 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.558 -15.612 -5.500 1.00 0.00 C ATOM 0 H VAL A 28 5.140 -14.357 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 28 6.741 -14.066 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 28 3.721 -13.889 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.636 -13.546 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.514 -12.234 -6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.415 -13.497 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.658 -15.835 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.437 -15.878 -6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.551 -16.188 -4.575 1.00 0.00 H new ATOM 342 N PRO A 29 6.689 -11.558 -4.886 1.00 0.00 N ATOM 343 CA PRO A 29 6.826 -10.104 -4.755 1.00 0.00 C ATOM 344 C PRO A 29 5.564 -9.362 -5.185 1.00 0.00 C ATOM 345 O PRO A 29 5.325 -9.164 -6.376 1.00 0.00 O ATOM 346 CB PRO A 29 7.988 -9.770 -5.693 1.00 0.00 C ATOM 347 CG PRO A 29 7.990 -10.867 -6.700 1.00 0.00 C ATOM 348 CD PRO A 29 7.525 -12.098 -5.972 1.00 0.00 C ATOM 0 HA PRO A 29 6.995 -9.802 -3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.848 -8.798 -6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.933 -9.727 -5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.328 -10.633 -7.533 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.987 -11.013 -7.116 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.957 -12.760 -6.625 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.364 -12.676 -5.584 1.00 0.00 H new ATOM 356 N ALA A 30 4.761 -8.955 -4.208 1.00 0.00 N ATOM 357 CA ALA A 30 3.525 -8.233 -4.486 1.00 0.00 C ATOM 358 C ALA A 30 3.759 -6.726 -4.490 1.00 0.00 C ATOM 359 O ALA A 30 3.893 -6.108 -3.435 1.00 0.00 O ATOM 360 CB ALA A 30 2.458 -8.601 -3.466 1.00 0.00 C ATOM 0 H ALA A 30 4.944 -9.113 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 30 3.179 -8.523 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.541 -8.055 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.263 -9.672 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.805 -8.340 -2.466 1.00 0.00 H new ATOM 366 N GLU A 31 3.806 -6.143 -5.684 1.00 0.00 N ATOM 367 CA GLU A 31 4.025 -4.708 -5.823 1.00 0.00 C ATOM 368 C GLU A 31 2.750 -4.005 -6.279 1.00 0.00 C ATOM 369 O GLU A 31 1.948 -4.570 -7.024 1.00 0.00 O ATOM 370 CB GLU A 31 5.154 -4.436 -6.819 1.00 0.00 C ATOM 371 CG GLU A 31 4.969 -5.137 -8.155 1.00 0.00 C ATOM 372 CD GLU A 31 5.732 -4.462 -9.278 1.00 0.00 C ATOM 373 OE1 GLU A 31 6.931 -4.171 -9.089 1.00 0.00 O ATOM 374 OE2 GLU A 31 5.130 -4.225 -10.346 1.00 0.00 O ATOM 0 H GLU A 31 3.696 -6.641 -6.567 1.00 0.00 H new ATOM 0 HA GLU A 31 4.308 -4.313 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.226 -3.362 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.099 -4.754 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.299 -6.172 -8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.908 -5.161 -8.405 1.00 0.00 H new ATOM 381 N PHE A 32 2.569 -2.768 -5.826 1.00 0.00 N ATOM 382 CA PHE A 32 1.391 -1.988 -6.186 1.00 0.00 C ATOM 383 C PHE A 32 1.789 -0.610 -6.706 1.00 0.00 C ATOM 384 O PHE A 32 2.921 -0.166 -6.515 1.00 0.00 O ATOM 385 CB PHE A 32 0.463 -1.840 -4.978 1.00 0.00 C ATOM 386 CG PHE A 32 1.188 -1.534 -3.698 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.873 -2.531 -3.020 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.185 -0.252 -3.174 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.540 -2.251 -1.843 1.00 0.00 C ATOM 390 CE2 PHE A 32 1.851 0.032 -1.996 1.00 0.00 C ATOM 391 CZ PHE A 32 2.530 -0.968 -1.331 1.00 0.00 C ATOM 0 H PHE A 32 3.223 -2.285 -5.210 1.00 0.00 H new ATOM 0 HA PHE A 32 0.864 -2.518 -6.979 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.256 -1.046 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.106 -2.761 -4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.885 -3.536 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.656 0.535 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.070 -3.036 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.840 1.036 -1.597 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.053 -0.748 -0.412 1.00 0.00 H new ATOM 401 N SER A 33 0.850 0.061 -7.366 1.00 0.00 N ATOM 402 CA SER A 33 1.104 1.387 -7.918 1.00 0.00 C ATOM 403 C SER A 33 0.668 2.475 -6.943 1.00 0.00 C ATOM 404 O SER A 33 -0.306 2.310 -6.207 1.00 0.00 O ATOM 405 CB SER A 33 0.371 1.556 -9.250 1.00 0.00 C ATOM 406 OG SER A 33 1.037 0.863 -10.291 1.00 0.00 O ATOM 0 H SER A 33 -0.093 -0.291 -7.531 1.00 0.00 H new ATOM 0 HA SER A 33 2.177 1.484 -8.086 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.649 1.184 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.303 2.615 -9.499 1.00 0.00 H new ATOM 0 HG SER A 33 0.547 0.986 -11.131 1.00 0.00 H new ATOM 412 N ILE A 34 1.394 3.587 -6.943 1.00 0.00 N ATOM 413 CA ILE A 34 1.082 4.704 -6.059 1.00 0.00 C ATOM 414 C ILE A 34 1.171 6.033 -6.800 1.00 0.00 C ATOM 415 O ILE A 34 2.251 6.454 -7.213 1.00 0.00 O ATOM 416 CB ILE A 34 2.028 4.741 -4.845 1.00 0.00 C ATOM 417 CG1 ILE A 34 1.991 3.405 -4.100 1.00 0.00 C ATOM 418 CG2 ILE A 34 1.649 5.884 -3.914 1.00 0.00 C ATOM 419 CD1 ILE A 34 3.182 3.187 -3.193 1.00 0.00 C ATOM 0 H ILE A 34 2.203 3.739 -7.545 1.00 0.00 H new ATOM 0 HA ILE A 34 0.061 4.554 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 34 3.045 4.909 -5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.078 3.354 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.944 2.594 -4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.326 5.898 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.722 6.830 -4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.626 5.744 -3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.090 2.221 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.098 3.206 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.218 3.977 -2.443 1.00 0.00 H new ATOM 431 N TRP A 35 0.028 6.690 -6.963 1.00 0.00 N ATOM 432 CA TRP A 35 -0.023 7.973 -7.653 1.00 0.00 C ATOM 433 C TRP A 35 -0.688 9.034 -6.782 1.00 0.00 C ATOM 434 O TRP A 35 -1.860 8.913 -6.424 1.00 0.00 O ATOM 435 CB TRP A 35 -0.779 7.835 -8.976 1.00 0.00 C ATOM 436 CG TRP A 35 -0.500 8.949 -9.940 1.00 0.00 C ATOM 437 CD1 TRP A 35 0.714 9.511 -10.212 1.00 0.00 C ATOM 438 CD2 TRP A 35 -1.456 9.636 -10.755 1.00 0.00 C ATOM 439 NE1 TRP A 35 0.572 10.507 -11.149 1.00 0.00 N ATOM 440 CE2 TRP A 35 -0.750 10.603 -11.498 1.00 0.00 C ATOM 441 CE3 TRP A 35 -2.837 9.529 -10.931 1.00 0.00 C ATOM 442 CZ2 TRP A 35 -1.381 11.454 -12.400 1.00 0.00 C ATOM 443 CZ3 TRP A 35 -3.462 10.374 -11.827 1.00 0.00 C ATOM 444 CH2 TRP A 35 -2.735 11.327 -12.553 1.00 0.00 C ATOM 0 H TRP A 35 -0.875 6.355 -6.627 1.00 0.00 H new ATOM 0 HA TRP A 35 1.000 8.287 -7.858 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.512 6.886 -9.441 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.849 7.800 -8.772 1.00 0.00 H new ATOM 0 HD1 TRP A 35 1.649 9.216 -9.758 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.327 11.081 -11.523 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.407 8.798 -10.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.822 12.189 -12.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -4.530 10.299 -11.971 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.253 11.973 -13.246 1.00 0.00 H new ATOM 455 N THR A 36 0.068 10.075 -6.444 1.00 0.00 N ATOM 456 CA THR A 36 -0.448 11.156 -5.614 1.00 0.00 C ATOM 457 C THR A 36 -1.046 12.268 -6.469 1.00 0.00 C ATOM 458 O THR A 36 -0.323 13.100 -7.016 1.00 0.00 O ATOM 459 CB THR A 36 0.653 11.750 -4.717 1.00 0.00 C ATOM 460 OG1 THR A 36 1.696 12.306 -5.525 1.00 0.00 O ATOM 461 CG2 THR A 36 1.232 10.687 -3.795 1.00 0.00 C ATOM 0 H THR A 36 1.039 10.192 -6.733 1.00 0.00 H new ATOM 0 HA THR A 36 -1.227 10.727 -4.984 1.00 0.00 H new ATOM 0 HB THR A 36 0.209 12.536 -4.106 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.303 12.756 -6.302 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.008 11.130 -3.171 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.441 10.286 -3.161 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.662 9.883 -4.392 1.00 0.00 H new ATOM 469 N ARG A 37 -2.371 12.277 -6.579 1.00 0.00 N ATOM 470 CA ARG A 37 -3.066 13.286 -7.367 1.00 0.00 C ATOM 471 C ARG A 37 -2.932 14.664 -6.725 1.00 0.00 C ATOM 472 O ARG A 37 -3.731 15.041 -5.869 1.00 0.00 O ATOM 473 CB ARG A 37 -4.544 12.922 -7.513 1.00 0.00 C ATOM 474 CG ARG A 37 -5.272 13.737 -8.570 1.00 0.00 C ATOM 475 CD ARG A 37 -6.545 13.044 -9.030 1.00 0.00 C ATOM 476 NE ARG A 37 -7.500 12.875 -7.939 1.00 0.00 N ATOM 477 CZ ARG A 37 -8.681 12.284 -8.081 1.00 0.00 C ATOM 478 NH1 ARG A 37 -9.050 11.806 -9.262 1.00 0.00 N ATOM 479 NH2 ARG A 37 -9.496 12.168 -7.040 1.00 0.00 N ATOM 0 H ARG A 37 -2.984 11.596 -6.131 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.608 13.318 -8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.626 11.864 -7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.040 13.062 -6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.517 14.720 -8.168 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.614 13.897 -9.424 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.006 13.625 -9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.296 12.069 -9.448 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.246 13.230 -7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.426 11.892 -10.064 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.958 11.353 -9.368 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.216 12.533 -6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.403 11.714 -7.150 1.00 0.00 H new ATOM 493 N GLU A 38 -1.916 15.411 -7.146 1.00 0.00 N ATOM 494 CA GLU A 38 -1.677 16.746 -6.612 1.00 0.00 C ATOM 495 C GLU A 38 -1.965 16.792 -5.113 1.00 0.00 C ATOM 496 O GLU A 38 -2.563 17.745 -4.614 1.00 0.00 O ATOM 497 CB GLU A 38 -2.544 17.774 -7.340 1.00 0.00 C ATOM 498 CG GLU A 38 -2.131 18.007 -8.783 1.00 0.00 C ATOM 499 CD GLU A 38 -2.985 19.051 -9.474 1.00 0.00 C ATOM 500 OE1 GLU A 38 -2.965 20.220 -9.035 1.00 0.00 O ATOM 501 OE2 GLU A 38 -3.674 18.700 -10.455 1.00 0.00 O ATOM 0 H GLU A 38 -1.246 15.114 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.627 16.990 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.582 17.442 -7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.500 18.720 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.087 18.320 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.197 17.068 -9.332 1.00 0.00 H new ATOM 508 N ALA A 39 -1.535 15.755 -4.402 1.00 0.00 N ATOM 509 CA ALA A 39 -1.745 15.676 -2.962 1.00 0.00 C ATOM 510 C ALA A 39 -0.739 16.544 -2.213 1.00 0.00 C ATOM 511 O ALA A 39 -1.117 17.400 -1.414 1.00 0.00 O ATOM 512 CB ALA A 39 -1.650 14.232 -2.493 1.00 0.00 C ATOM 0 H ALA A 39 -1.039 14.958 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.745 16.052 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.809 14.188 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.410 13.635 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.662 13.837 -2.730 1.00 0.00 H new ATOM 518 N GLY A 40 0.543 16.317 -2.476 1.00 0.00 N ATOM 519 CA GLY A 40 1.584 17.086 -1.817 1.00 0.00 C ATOM 520 C GLY A 40 2.976 16.614 -2.187 1.00 0.00 C ATOM 521 O GLY A 40 3.140 15.554 -2.791 1.00 0.00 O ATOM 0 H GLY A 40 0.881 15.614 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.478 18.138 -2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.455 17.015 -0.737 1.00 0.00 H new ATOM 525 N ALA A 41 3.982 17.404 -1.825 1.00 0.00 N ATOM 526 CA ALA A 41 5.367 17.061 -2.122 1.00 0.00 C ATOM 527 C ALA A 41 6.085 16.547 -0.878 1.00 0.00 C ATOM 528 O ALA A 41 7.282 16.768 -0.705 1.00 0.00 O ATOM 529 CB ALA A 41 6.099 18.265 -2.695 1.00 0.00 C ATOM 0 H ALA A 41 3.863 18.286 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 41 5.365 16.263 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.132 17.993 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.608 18.586 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.082 19.079 -1.971 1.00 0.00 H new ATOM 535 N GLY A 42 5.343 15.861 -0.015 1.00 0.00 N ATOM 536 CA GLY A 42 5.926 15.327 1.204 1.00 0.00 C ATOM 537 C GLY A 42 6.567 13.970 0.993 1.00 0.00 C ATOM 538 O GLY A 42 6.753 13.533 -0.142 1.00 0.00 O ATOM 0 H GLY A 42 4.349 15.665 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.674 16.024 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.153 15.245 1.968 1.00 0.00 H new ATOM 542 N GLY A 43 6.908 13.301 2.091 1.00 0.00 N ATOM 543 CA GLY A 43 7.530 11.993 1.999 1.00 0.00 C ATOM 544 C GLY A 43 6.515 10.869 1.962 1.00 0.00 C ATOM 545 O GLY A 43 5.317 11.109 1.799 1.00 0.00 O ATOM 0 H GLY A 43 6.765 13.642 3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.147 11.950 1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.195 11.850 2.851 1.00 0.00 H new ATOM 549 N LEU A 44 6.991 9.638 2.110 1.00 0.00 N ATOM 550 CA LEU A 44 6.116 8.471 2.090 1.00 0.00 C ATOM 551 C LEU A 44 6.681 7.352 2.960 1.00 0.00 C ATOM 552 O LEU A 44 7.713 6.763 2.637 1.00 0.00 O ATOM 553 CB LEU A 44 5.929 7.974 0.656 1.00 0.00 C ATOM 554 CG LEU A 44 4.830 8.662 -0.154 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.954 8.308 -1.629 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.456 8.278 0.374 1.00 0.00 C ATOM 0 H LEU A 44 7.979 9.422 2.245 1.00 0.00 H new ATOM 0 HA LEU A 44 5.148 8.766 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.873 8.094 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.715 6.906 0.688 1.00 0.00 H new ATOM 0 HG LEU A 44 4.949 9.740 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.164 8.806 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.925 8.635 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.862 7.229 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.687 8.778 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.326 7.198 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.369 8.583 1.417 1.00 0.00 H new ATOM 568 N SER A 45 5.997 7.063 4.061 1.00 0.00 N ATOM 569 CA SER A 45 6.432 6.015 4.978 1.00 0.00 C ATOM 570 C SER A 45 5.601 4.749 4.790 1.00 0.00 C ATOM 571 O SER A 45 4.371 4.792 4.817 1.00 0.00 O ATOM 572 CB SER A 45 6.325 6.498 6.426 1.00 0.00 C ATOM 573 OG SER A 45 7.507 7.168 6.829 1.00 0.00 O ATOM 0 H SER A 45 5.139 7.539 4.341 1.00 0.00 H new ATOM 0 HA SER A 45 7.473 5.782 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.471 7.168 6.527 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.143 5.648 7.084 1.00 0.00 H new ATOM 0 HG SER A 45 7.413 7.468 7.757 1.00 0.00 H new ATOM 579 N ILE A 46 6.283 3.625 4.598 1.00 0.00 N ATOM 580 CA ILE A 46 5.608 2.348 4.406 1.00 0.00 C ATOM 581 C ILE A 46 6.146 1.292 5.368 1.00 0.00 C ATOM 582 O ILE A 46 7.357 1.129 5.513 1.00 0.00 O ATOM 583 CB ILE A 46 5.768 1.838 2.961 1.00 0.00 C ATOM 584 CG1 ILE A 46 5.097 2.801 1.980 1.00 0.00 C ATOM 585 CG2 ILE A 46 5.183 0.440 2.825 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.586 2.652 0.557 1.00 0.00 C ATOM 0 H ILE A 46 7.301 3.573 4.571 1.00 0.00 H new ATOM 0 HA ILE A 46 4.550 2.516 4.608 1.00 0.00 H new ATOM 0 HB ILE A 46 6.831 1.790 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.019 2.639 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.273 3.825 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.304 0.093 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.703 -0.239 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.123 0.463 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.067 3.366 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.658 2.843 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.385 1.639 0.208 1.00 0.00 H new ATOM 598 N ALA A 47 5.236 0.577 6.020 1.00 0.00 N ATOM 599 CA ALA A 47 5.618 -0.466 6.965 1.00 0.00 C ATOM 600 C ALA A 47 4.641 -1.636 6.916 1.00 0.00 C ATOM 601 O ALA A 47 3.483 -1.509 7.313 1.00 0.00 O ATOM 602 CB ALA A 47 5.693 0.102 8.375 1.00 0.00 C ATOM 0 H ALA A 47 4.229 0.700 5.912 1.00 0.00 H new ATOM 0 HA ALA A 47 6.603 -0.837 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.979 -0.687 9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.435 0.900 8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.719 0.500 8.659 1.00 0.00 H new ATOM 608 N VAL A 48 5.116 -2.776 6.424 1.00 0.00 N ATOM 609 CA VAL A 48 4.285 -3.970 6.322 1.00 0.00 C ATOM 610 C VAL A 48 4.335 -4.785 7.610 1.00 0.00 C ATOM 611 O VAL A 48 5.410 -5.169 8.072 1.00 0.00 O ATOM 612 CB VAL A 48 4.725 -4.862 5.146 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.838 -6.093 5.049 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.702 -4.075 3.844 1.00 0.00 C ATOM 0 H VAL A 48 6.072 -2.898 6.090 1.00 0.00 H new ATOM 0 HA VAL A 48 3.264 -3.631 6.148 1.00 0.00 H new ATOM 0 HB VAL A 48 5.748 -5.194 5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.164 -6.711 4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.909 -6.666 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.804 -5.785 4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.016 -4.720 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.691 -3.713 3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.383 -3.227 3.919 1.00 0.00 H new ATOM 624 N GLU A 49 3.165 -5.046 8.184 1.00 0.00 N ATOM 625 CA GLU A 49 3.076 -5.816 9.419 1.00 0.00 C ATOM 626 C GLU A 49 2.031 -6.921 9.298 1.00 0.00 C ATOM 627 O GLU A 49 0.864 -6.658 9.011 1.00 0.00 O ATOM 628 CB GLU A 49 2.730 -4.898 10.594 1.00 0.00 C ATOM 629 CG GLU A 49 3.822 -3.896 10.927 1.00 0.00 C ATOM 630 CD GLU A 49 3.351 -2.812 11.876 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.174 -2.406 11.774 1.00 0.00 O ATOM 632 OE2 GLU A 49 4.158 -2.369 12.720 1.00 0.00 O ATOM 0 H GLU A 49 2.266 -4.736 7.814 1.00 0.00 H new ATOM 0 HA GLU A 49 4.047 -6.277 9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.811 -4.358 10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.529 -5.509 11.474 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.668 -4.421 11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.181 -3.436 10.006 1.00 0.00 H new ATOM 639 N GLY A 50 2.460 -8.161 9.518 1.00 0.00 N ATOM 640 CA GLY A 50 1.551 -9.287 9.427 1.00 0.00 C ATOM 641 C GLY A 50 1.917 -10.406 10.383 1.00 0.00 C ATOM 642 O GLY A 50 2.626 -10.202 11.368 1.00 0.00 O ATOM 0 H GLY A 50 3.421 -8.404 9.758 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.537 -8.949 9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.553 -9.670 8.406 1.00 0.00 H new ATOM 646 N PRO A 51 1.424 -11.619 10.095 1.00 0.00 N ATOM 647 CA PRO A 51 1.690 -12.799 10.925 1.00 0.00 C ATOM 648 C PRO A 51 3.140 -13.257 10.834 1.00 0.00 C ATOM 649 O PRO A 51 3.581 -14.115 11.600 1.00 0.00 O ATOM 650 CB PRO A 51 0.755 -13.861 10.341 1.00 0.00 C ATOM 651 CG PRO A 51 0.537 -13.439 8.929 1.00 0.00 C ATOM 652 CD PRO A 51 0.572 -11.935 8.936 1.00 0.00 C ATOM 0 HA PRO A 51 1.522 -12.599 11.983 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.202 -14.854 10.393 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.185 -13.906 10.890 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.311 -13.844 8.277 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.419 -13.805 8.555 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.989 -11.538 8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.426 -11.510 9.043 1.00 0.00 H new ATOM 660 N SER A 52 3.881 -12.679 9.892 1.00 0.00 N ATOM 661 CA SER A 52 5.283 -13.032 9.700 1.00 0.00 C ATOM 662 C SER A 52 6.064 -11.855 9.124 1.00 0.00 C ATOM 663 O SER A 52 5.516 -10.773 8.914 1.00 0.00 O ATOM 664 CB SER A 52 5.403 -14.242 8.770 1.00 0.00 C ATOM 665 OG SER A 52 6.629 -14.923 8.976 1.00 0.00 O ATOM 0 H SER A 52 3.534 -11.965 9.251 1.00 0.00 H new ATOM 0 HA SER A 52 5.705 -13.286 10.672 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.571 -14.924 8.945 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.334 -13.916 7.732 1.00 0.00 H new ATOM 0 HG SER A 52 6.448 -15.853 9.228 1.00 0.00 H new ATOM 671 N LYS A 53 7.350 -12.075 8.870 1.00 0.00 N ATOM 672 CA LYS A 53 8.210 -11.035 8.316 1.00 0.00 C ATOM 673 C LYS A 53 7.974 -10.873 6.819 1.00 0.00 C ATOM 674 O LYS A 53 7.807 -11.856 6.098 1.00 0.00 O ATOM 675 CB LYS A 53 9.680 -11.366 8.580 1.00 0.00 C ATOM 676 CG LYS A 53 10.627 -10.218 8.278 1.00 0.00 C ATOM 677 CD LYS A 53 11.995 -10.445 8.897 1.00 0.00 C ATOM 678 CE LYS A 53 12.979 -9.360 8.488 1.00 0.00 C ATOM 679 NZ LYS A 53 14.156 -9.306 9.399 1.00 0.00 N ATOM 0 H LYS A 53 7.820 -12.964 9.039 1.00 0.00 H new ATOM 0 HA LYS A 53 7.962 -10.094 8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.796 -11.656 9.624 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.964 -12.228 7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.730 -10.104 7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.205 -9.288 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.905 -10.465 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.377 -11.419 8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.317 -9.542 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.475 -8.394 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.803 -8.554 9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.836 -9.107 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.652 -10.220 9.379 1.00 0.00 H new ATOM 693 N ALA A 54 7.964 -9.628 6.356 1.00 0.00 N ATOM 694 CA ALA A 54 7.752 -9.338 4.943 1.00 0.00 C ATOM 695 C ALA A 54 8.859 -8.444 4.395 1.00 0.00 C ATOM 696 O ALA A 54 9.169 -7.402 4.970 1.00 0.00 O ATOM 697 CB ALA A 54 6.393 -8.687 4.735 1.00 0.00 C ATOM 0 H ALA A 54 8.100 -8.803 6.939 1.00 0.00 H new ATOM 0 HA ALA A 54 7.777 -10.281 4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.249 -8.476 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.610 -9.362 5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.345 -7.756 5.300 1.00 0.00 H new ATOM 703 N GLU A 55 9.451 -8.860 3.279 1.00 0.00 N ATOM 704 CA GLU A 55 10.524 -8.097 2.654 1.00 0.00 C ATOM 705 C GLU A 55 9.970 -6.874 1.927 1.00 0.00 C ATOM 706 O GLU A 55 8.821 -6.869 1.487 1.00 0.00 O ATOM 707 CB GLU A 55 11.303 -8.977 1.674 1.00 0.00 C ATOM 708 CG GLU A 55 12.762 -8.580 1.527 1.00 0.00 C ATOM 709 CD GLU A 55 12.970 -7.496 0.487 1.00 0.00 C ATOM 710 OE1 GLU A 55 12.386 -7.607 -0.611 1.00 0.00 O ATOM 711 OE2 GLU A 55 13.718 -6.537 0.772 1.00 0.00 O ATOM 0 H GLU A 55 9.205 -9.721 2.790 1.00 0.00 H new ATOM 0 HA GLU A 55 11.198 -7.757 3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.249 -10.013 2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.822 -8.931 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.139 -8.232 2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.348 -9.458 1.254 1.00 0.00 H new ATOM 718 N ILE A 56 10.797 -5.840 1.806 1.00 0.00 N ATOM 719 CA ILE A 56 10.391 -4.613 1.133 1.00 0.00 C ATOM 720 C ILE A 56 11.543 -4.020 0.331 1.00 0.00 C ATOM 721 O ILE A 56 12.638 -3.810 0.855 1.00 0.00 O ATOM 722 CB ILE A 56 9.883 -3.562 2.138 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.636 -4.074 2.860 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.588 -2.250 1.426 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.383 -3.393 4.187 1.00 0.00 C ATOM 0 H ILE A 56 11.752 -5.828 2.165 1.00 0.00 H new ATOM 0 HA ILE A 56 9.579 -4.877 0.456 1.00 0.00 H new ATOM 0 HB ILE A 56 10.661 -3.385 2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.769 -3.930 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.736 -5.147 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.230 -1.517 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.498 -1.880 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.825 -2.413 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.483 -3.806 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.233 -3.558 4.849 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.250 -2.323 4.027 1.00 0.00 H new ATOM 737 N THR A 57 11.290 -3.746 -0.946 1.00 0.00 N ATOM 738 CA THR A 57 12.305 -3.176 -1.821 1.00 0.00 C ATOM 739 C THR A 57 11.907 -1.781 -2.289 1.00 0.00 C ATOM 740 O THR A 57 11.070 -1.629 -3.178 1.00 0.00 O ATOM 741 CB THR A 57 12.551 -4.068 -3.054 1.00 0.00 C ATOM 742 OG1 THR A 57 12.832 -5.409 -2.639 1.00 0.00 O ATOM 743 CG2 THR A 57 13.707 -3.535 -3.886 1.00 0.00 C ATOM 0 H THR A 57 10.390 -3.910 -1.396 1.00 0.00 H new ATOM 0 HA THR A 57 13.224 -3.113 -1.239 1.00 0.00 H new ATOM 0 HB THR A 57 11.650 -4.059 -3.667 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.985 -5.970 -3.428 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.861 -4.181 -4.750 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.476 -2.525 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.613 -3.517 -3.280 1.00 0.00 H new ATOM 751 N PHE A 58 12.513 -0.764 -1.685 1.00 0.00 N ATOM 752 CA PHE A 58 12.221 0.621 -2.039 1.00 0.00 C ATOM 753 C PHE A 58 13.454 1.304 -2.622 1.00 0.00 C ATOM 754 O PHE A 58 14.337 1.748 -1.888 1.00 0.00 O ATOM 755 CB PHE A 58 11.729 1.390 -0.812 1.00 0.00 C ATOM 756 CG PHE A 58 10.985 2.649 -1.153 1.00 0.00 C ATOM 757 CD1 PHE A 58 11.664 3.842 -1.344 1.00 0.00 C ATOM 758 CD2 PHE A 58 9.605 2.640 -1.284 1.00 0.00 C ATOM 759 CE1 PHE A 58 10.981 5.002 -1.657 1.00 0.00 C ATOM 760 CE2 PHE A 58 8.917 3.797 -1.598 1.00 0.00 C ATOM 761 CZ PHE A 58 9.606 4.979 -1.786 1.00 0.00 C ATOM 0 H PHE A 58 13.210 -0.873 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 58 11.437 0.619 -2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 58 11.080 0.742 -0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 58 12.584 1.641 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 58 12.739 3.865 -1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.061 1.718 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.522 5.926 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.842 3.777 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.071 5.884 -2.033 1.00 0.00 H new ATOM 771 N ASP A 59 13.507 1.385 -3.947 1.00 0.00 N ATOM 772 CA ASP A 59 14.631 2.014 -4.630 1.00 0.00 C ATOM 773 C ASP A 59 14.142 2.981 -5.705 1.00 0.00 C ATOM 774 O ASP A 59 13.473 2.579 -6.657 1.00 0.00 O ATOM 775 CB ASP A 59 15.536 0.952 -5.256 1.00 0.00 C ATOM 776 CG ASP A 59 16.372 0.222 -4.223 1.00 0.00 C ATOM 777 OD1 ASP A 59 17.291 0.848 -3.654 1.00 0.00 O ATOM 778 OD2 ASP A 59 16.106 -0.974 -3.983 1.00 0.00 O ATOM 0 H ASP A 59 12.785 1.023 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 59 15.202 2.577 -3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.924 0.232 -5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.195 1.424 -5.985 1.00 0.00 H new ATOM 783 N ASP A 60 14.479 4.255 -5.546 1.00 0.00 N ATOM 784 CA ASP A 60 14.074 5.279 -6.502 1.00 0.00 C ATOM 785 C ASP A 60 15.292 5.984 -7.091 1.00 0.00 C ATOM 786 O ASP A 60 16.079 6.595 -6.368 1.00 0.00 O ATOM 787 CB ASP A 60 13.154 6.300 -5.829 1.00 0.00 C ATOM 788 CG ASP A 60 12.497 7.232 -6.828 1.00 0.00 C ATOM 789 OD1 ASP A 60 11.515 6.813 -7.474 1.00 0.00 O ATOM 790 OD2 ASP A 60 12.965 8.382 -6.963 1.00 0.00 O ATOM 0 H ASP A 60 15.032 4.604 -4.763 1.00 0.00 H new ATOM 0 HA ASP A 60 13.532 4.791 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.383 5.774 -5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.729 6.887 -5.113 1.00 0.00 H new ATOM 795 N HIS A 61 15.441 5.894 -8.410 1.00 0.00 N ATOM 796 CA HIS A 61 16.563 6.522 -9.097 1.00 0.00 C ATOM 797 C HIS A 61 16.075 7.605 -10.055 1.00 0.00 C ATOM 798 O HIS A 61 16.556 8.738 -10.025 1.00 0.00 O ATOM 799 CB HIS A 61 17.372 5.474 -9.861 1.00 0.00 C ATOM 800 CG HIS A 61 18.512 6.051 -10.643 1.00 0.00 C ATOM 801 ND1 HIS A 61 19.827 5.955 -10.237 1.00 0.00 N ATOM 802 CD2 HIS A 61 18.530 6.731 -11.812 1.00 0.00 C ATOM 803 CE1 HIS A 61 20.603 6.553 -11.123 1.00 0.00 C ATOM 804 NE2 HIS A 61 19.840 7.033 -12.089 1.00 0.00 N ATOM 0 H HIS A 61 14.799 5.392 -9.023 1.00 0.00 H new ATOM 0 HA HIS A 61 17.203 6.987 -8.347 1.00 0.00 H new ATOM 0 HB2 HIS A 61 17.761 4.741 -9.154 1.00 0.00 H new ATOM 0 HB3 HIS A 61 16.709 4.940 -10.541 1.00 0.00 H new ATOM 0 HD2 HIS A 61 17.672 6.989 -12.416 1.00 0.00 H new ATOM 0 HE1 HIS A 61 21.678 6.636 -11.067 1.00 0.00 H new ATOM 0 HE2 HIS A 61 20.171 7.545 -12.907 1.00 0.00 H new ATOM 812 N LYS A 62 15.120 7.248 -10.906 1.00 0.00 N ATOM 813 CA LYS A 62 14.567 8.187 -11.874 1.00 0.00 C ATOM 814 C LYS A 62 13.292 8.833 -11.339 1.00 0.00 C ATOM 815 O LYS A 62 12.785 8.448 -10.287 1.00 0.00 O ATOM 816 CB LYS A 62 14.274 7.476 -13.197 1.00 0.00 C ATOM 817 CG LYS A 62 14.369 8.384 -14.411 1.00 0.00 C ATOM 818 CD LYS A 62 14.717 7.602 -15.666 1.00 0.00 C ATOM 819 CE LYS A 62 14.848 8.517 -16.875 1.00 0.00 C ATOM 820 NZ LYS A 62 14.970 7.747 -18.144 1.00 0.00 N ATOM 0 H LYS A 62 14.712 6.314 -10.945 1.00 0.00 H new ATOM 0 HA LYS A 62 15.306 8.970 -12.045 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.973 6.648 -13.317 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.274 7.045 -13.154 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.420 8.901 -14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.126 9.149 -14.236 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.652 7.064 -15.513 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.946 6.855 -15.856 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.979 9.172 -16.930 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.722 9.157 -16.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.057 8.407 -18.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.814 7.140 -18.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.124 7.156 -18.274 1.00 0.00 H new ATOM 834 N ASN A 63 12.778 9.815 -12.072 1.00 0.00 N ATOM 835 CA ASN A 63 11.562 10.513 -11.671 1.00 0.00 C ATOM 836 C ASN A 63 10.355 9.583 -11.740 1.00 0.00 C ATOM 837 O ASN A 63 9.401 9.729 -10.976 1.00 0.00 O ATOM 838 CB ASN A 63 11.333 11.733 -12.564 1.00 0.00 C ATOM 839 CG ASN A 63 12.481 12.722 -12.500 1.00 0.00 C ATOM 840 OD1 ASN A 63 12.468 13.656 -11.697 1.00 0.00 O ATOM 841 ND2 ASN A 63 13.482 12.520 -13.348 1.00 0.00 N ATOM 0 H ASN A 63 13.185 10.146 -12.947 1.00 0.00 H new ATOM 0 HA ASN A 63 11.684 10.844 -10.640 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.197 11.405 -13.595 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.411 12.231 -12.264 1.00 0.00 H new ATOM 0 HD21 ASN A 63 14.283 13.152 -13.352 1.00 0.00 H new ATOM 0 HD22 ASN A 63 13.450 11.733 -13.996 1.00 0.00 H new ATOM 848 N GLY A 64 10.403 8.626 -12.662 1.00 0.00 N ATOM 849 CA GLY A 64 9.307 7.687 -12.814 1.00 0.00 C ATOM 850 C GLY A 64 9.480 6.451 -11.954 1.00 0.00 C ATOM 851 O GLY A 64 9.898 5.401 -12.441 1.00 0.00 O ATOM 0 H GLY A 64 11.181 8.484 -13.306 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.371 8.180 -12.552 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.229 7.390 -13.860 1.00 0.00 H new ATOM 855 N SER A 65 9.159 6.576 -10.670 1.00 0.00 N ATOM 856 CA SER A 65 9.286 5.461 -9.739 1.00 0.00 C ATOM 857 C SER A 65 8.498 4.250 -10.230 1.00 0.00 C ATOM 858 O SER A 65 7.642 4.366 -11.107 1.00 0.00 O ATOM 859 CB SER A 65 8.797 5.872 -8.348 1.00 0.00 C ATOM 860 OG SER A 65 9.127 4.890 -7.381 1.00 0.00 O ATOM 0 H SER A 65 8.809 7.438 -10.251 1.00 0.00 H new ATOM 0 HA SER A 65 10.339 5.188 -9.680 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.244 6.826 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.717 6.019 -8.367 1.00 0.00 H new ATOM 0 HG SER A 65 10.020 5.073 -7.020 1.00 0.00 H new ATOM 866 N CYS A 66 8.795 3.088 -9.658 1.00 0.00 N ATOM 867 CA CYS A 66 8.116 1.854 -10.037 1.00 0.00 C ATOM 868 C CYS A 66 7.225 1.353 -8.905 1.00 0.00 C ATOM 869 O CYS A 66 6.941 0.161 -8.806 1.00 0.00 O ATOM 870 CB CYS A 66 9.138 0.780 -10.411 1.00 0.00 C ATOM 871 SG CYS A 66 9.804 0.944 -12.084 1.00 0.00 S ATOM 0 H CYS A 66 9.501 2.975 -8.931 1.00 0.00 H new ATOM 0 HA CYS A 66 7.488 2.065 -10.902 1.00 0.00 H new ATOM 0 HB2 CYS A 66 9.962 0.814 -9.699 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.672 -0.200 -10.312 1.00 0.00 H new ATOM 0 HG CYS A 66 10.661 -0.008 -12.305 1.00 0.00 H new ATOM 877 N GLY A 67 6.788 2.274 -8.052 1.00 0.00 N ATOM 878 CA GLY A 67 5.935 1.907 -6.936 1.00 0.00 C ATOM 879 C GLY A 67 6.703 1.235 -5.816 1.00 0.00 C ATOM 880 O GLY A 67 7.855 1.580 -5.548 1.00 0.00 O ATOM 0 H GLY A 67 7.009 3.268 -8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.443 2.800 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.150 1.237 -7.287 1.00 0.00 H new ATOM 884 N VAL A 68 6.066 0.273 -5.157 1.00 0.00 N ATOM 885 CA VAL A 68 6.696 -0.449 -4.059 1.00 0.00 C ATOM 886 C VAL A 68 6.426 -1.946 -4.159 1.00 0.00 C ATOM 887 O VAL A 68 5.356 -2.367 -4.598 1.00 0.00 O ATOM 888 CB VAL A 68 6.198 0.059 -2.693 1.00 0.00 C ATOM 889 CG1 VAL A 68 6.958 -0.615 -1.561 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.332 1.573 -2.608 1.00 0.00 C ATOM 0 H VAL A 68 5.113 -0.025 -5.365 1.00 0.00 H new ATOM 0 HA VAL A 68 7.768 -0.269 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 68 5.143 -0.197 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.592 -0.243 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.807 -1.693 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.021 -0.393 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.976 1.916 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.378 1.853 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.738 2.036 -3.396 1.00 0.00 H new ATOM 900 N SER A 69 7.405 -2.748 -3.749 1.00 0.00 N ATOM 901 CA SER A 69 7.276 -4.199 -3.795 1.00 0.00 C ATOM 902 C SER A 69 7.538 -4.812 -2.423 1.00 0.00 C ATOM 903 O SER A 69 8.232 -4.227 -1.592 1.00 0.00 O ATOM 904 CB SER A 69 8.244 -4.786 -4.824 1.00 0.00 C ATOM 905 OG SER A 69 9.584 -4.693 -4.372 1.00 0.00 O ATOM 0 H SER A 69 8.297 -2.416 -3.381 1.00 0.00 H new ATOM 0 HA SER A 69 6.255 -4.439 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.992 -5.830 -5.012 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.138 -4.257 -5.771 1.00 0.00 H new ATOM 0 HG SER A 69 10.166 -4.449 -5.122 1.00 0.00 H new ATOM 911 N TYR A 70 6.979 -5.995 -2.194 1.00 0.00 N ATOM 912 CA TYR A 70 7.151 -6.689 -0.922 1.00 0.00 C ATOM 913 C TYR A 70 6.879 -8.182 -1.076 1.00 0.00 C ATOM 914 O TYR A 70 6.059 -8.594 -1.897 1.00 0.00 O ATOM 915 CB TYR A 70 6.219 -6.094 0.135 1.00 0.00 C ATOM 916 CG TYR A 70 4.803 -6.616 0.056 1.00 0.00 C ATOM 917 CD1 TYR A 70 3.859 -6.000 -0.757 1.00 0.00 C ATOM 918 CD2 TYR A 70 4.407 -7.725 0.793 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.563 -6.473 -0.832 1.00 0.00 C ATOM 920 CE2 TYR A 70 3.113 -8.206 0.724 1.00 0.00 C ATOM 921 CZ TYR A 70 2.195 -7.575 -0.090 1.00 0.00 C ATOM 922 OH TYR A 70 0.906 -8.050 -0.163 1.00 0.00 O ATOM 0 H TYR A 70 6.403 -6.494 -2.872 1.00 0.00 H new ATOM 0 HA TYR A 70 8.184 -6.559 -0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.622 -6.309 1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.204 -5.010 0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.143 -5.137 -1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.123 -8.220 1.432 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.842 -5.982 -1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.823 -9.070 1.303 1.00 0.00 H new ATOM 0 HH TYR A 70 0.812 -8.832 0.420 1.00 0.00 H new ATOM 932 N ILE A 71 7.571 -8.987 -0.277 1.00 0.00 N ATOM 933 CA ILE A 71 7.404 -10.434 -0.321 1.00 0.00 C ATOM 934 C ILE A 71 7.092 -10.994 1.063 1.00 0.00 C ATOM 935 O ILE A 71 7.738 -10.639 2.048 1.00 0.00 O ATOM 936 CB ILE A 71 8.662 -11.130 -0.872 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.760 -10.931 -2.386 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.643 -12.612 -0.528 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.030 -11.491 -2.988 1.00 0.00 C ATOM 0 H ILE A 71 8.253 -8.662 0.409 1.00 0.00 H new ATOM 0 HA ILE A 71 6.566 -10.634 -0.989 1.00 0.00 H new ATOM 0 HB ILE A 71 9.540 -10.681 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.902 -11.405 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.701 -9.866 -2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.539 -13.089 -0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.616 -12.734 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.760 -13.076 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.032 -11.314 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.893 -11.000 -2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.082 -12.563 -2.796 1.00 0.00 H new ATOM 951 N ALA A 72 6.097 -11.873 1.129 1.00 0.00 N ATOM 952 CA ALA A 72 5.702 -12.486 2.391 1.00 0.00 C ATOM 953 C ALA A 72 6.090 -13.960 2.431 1.00 0.00 C ATOM 954 O ALA A 72 5.535 -14.777 1.698 1.00 0.00 O ATOM 955 CB ALA A 72 4.204 -12.327 2.608 1.00 0.00 C ATOM 0 H ALA A 72 5.550 -12.176 0.323 1.00 0.00 H new ATOM 0 HA ALA A 72 6.232 -11.976 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.922 -12.789 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.950 -11.267 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.665 -12.811 1.793 1.00 0.00 H new ATOM 961 N GLN A 73 7.047 -14.291 3.292 1.00 0.00 N ATOM 962 CA GLN A 73 7.510 -15.667 3.427 1.00 0.00 C ATOM 963 C GLN A 73 6.345 -16.607 3.719 1.00 0.00 C ATOM 964 O GLN A 73 6.270 -17.706 3.170 1.00 0.00 O ATOM 965 CB GLN A 73 8.556 -15.770 4.537 1.00 0.00 C ATOM 966 CG GLN A 73 9.893 -15.143 4.175 1.00 0.00 C ATOM 967 CD GLN A 73 10.801 -16.097 3.424 1.00 0.00 C ATOM 968 OE1 GLN A 73 11.587 -16.827 4.028 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.698 -16.095 2.101 1.00 0.00 N ATOM 0 H GLN A 73 7.517 -13.626 3.906 1.00 0.00 H new ATOM 0 HA GLN A 73 7.965 -15.965 2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.169 -15.288 5.435 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.712 -16.821 4.782 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.721 -14.256 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.393 -14.812 5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.032 -15.473 1.642 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.284 -16.716 1.543 1.00 0.00 H new ATOM 978 N GLU A 74 5.442 -16.168 4.590 1.00 0.00 N ATOM 979 CA GLU A 74 4.282 -16.973 4.956 1.00 0.00 C ATOM 980 C GLU A 74 2.986 -16.264 4.572 1.00 0.00 C ATOM 981 O GLU A 74 2.869 -15.041 4.652 1.00 0.00 O ATOM 982 CB GLU A 74 4.291 -17.264 6.458 1.00 0.00 C ATOM 983 CG GLU A 74 5.684 -17.454 7.034 1.00 0.00 C ATOM 984 CD GLU A 74 5.671 -18.179 8.365 1.00 0.00 C ATOM 985 OE1 GLU A 74 5.495 -17.508 9.404 1.00 0.00 O ATOM 986 OE2 GLU A 74 5.839 -19.417 8.368 1.00 0.00 O ATOM 0 H GLU A 74 5.491 -15.261 5.055 1.00 0.00 H new ATOM 0 HA GLU A 74 4.337 -17.915 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.800 -16.444 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.703 -18.162 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.293 -18.015 6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.157 -16.480 7.160 1.00 0.00 H new ATOM 993 N PRO A 75 1.987 -17.050 4.143 1.00 0.00 N ATOM 994 CA PRO A 75 0.681 -16.522 3.738 1.00 0.00 C ATOM 995 C PRO A 75 -0.118 -15.983 4.920 1.00 0.00 C ATOM 996 O PRO A 75 0.091 -16.393 6.061 1.00 0.00 O ATOM 997 CB PRO A 75 -0.019 -17.738 3.126 1.00 0.00 C ATOM 998 CG PRO A 75 0.626 -18.913 3.776 1.00 0.00 C ATOM 999 CD PRO A 75 2.056 -18.516 4.022 1.00 0.00 C ATOM 0 HA PRO A 75 0.776 -15.680 3.053 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.091 -17.717 3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.108 -17.765 2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.125 -19.166 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.570 -19.793 3.135 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.451 -18.976 4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.705 -18.821 3.201 1.00 0.00 H new ATOM 1007 N GLY A 76 -1.037 -15.063 4.637 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.853 -14.485 5.688 1.00 0.00 C ATOM 1009 C GLY A 76 -2.332 -13.088 5.347 1.00 0.00 C ATOM 1010 O GLY A 76 -2.223 -12.649 4.202 1.00 0.00 O ATOM 0 H GLY A 76 -1.230 -14.709 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.715 -15.127 5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.279 -14.453 6.614 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.866 -12.386 6.342 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.365 -11.032 6.141 1.00 0.00 C ATOM 1016 C ASN A 77 -2.352 -10.000 6.630 1.00 0.00 C ATOM 1017 O ASN A 77 -2.279 -9.705 7.823 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.695 -10.842 6.871 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.550 -10.952 8.377 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.635 -11.606 8.877 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -5.453 -10.309 9.107 1.00 0.00 N ATOM 0 H ASN A 77 -2.964 -12.734 7.296 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.521 -10.885 5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.108 -9.865 6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.408 -11.589 6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.405 -10.345 10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.195 -9.779 8.650 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.575 -9.456 5.700 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.565 -8.459 6.036 1.00 0.00 C ATOM 1030 C TYR A 78 -1.156 -7.053 6.007 1.00 0.00 C ATOM 1031 O TYR A 78 -1.696 -6.617 4.992 1.00 0.00 O ATOM 1032 CB TYR A 78 0.614 -8.549 5.066 1.00 0.00 C ATOM 1033 CG TYR A 78 1.503 -9.748 5.303 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.076 -11.031 4.980 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.772 -9.599 5.850 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.885 -12.129 5.195 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.589 -10.693 6.068 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.141 -11.955 5.739 1.00 0.00 C ATOM 1039 OH TYR A 78 3.950 -13.046 5.954 1.00 0.00 O ATOM 0 H TYR A 78 -1.625 -9.688 4.708 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.212 -8.664 7.047 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.232 -8.586 4.046 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.212 -7.642 5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.094 -11.171 4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.126 -8.612 6.109 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.537 -13.119 4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.573 -10.560 6.494 1.00 0.00 H new ATOM 0 HH TYR A 78 3.418 -13.866 5.884 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.049 -6.349 7.130 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.573 -4.992 7.233 1.00 0.00 C ATOM 1051 C GLU A 79 -0.467 -3.964 7.017 1.00 0.00 C ATOM 1052 O GLU A 79 0.408 -3.789 7.866 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.225 -4.777 8.601 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.354 -3.761 8.584 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.750 -3.304 9.974 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -3.564 -4.085 10.931 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.245 -2.165 10.106 1.00 0.00 O ATOM 0 H GLU A 79 -0.605 -6.696 7.980 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.325 -4.859 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.610 -5.730 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.464 -4.450 9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.050 -2.896 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.222 -4.196 8.088 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.512 -3.286 5.875 1.00 0.00 N ATOM 1065 CA VAL A 80 0.485 -2.274 5.545 1.00 0.00 C ATOM 1066 C VAL A 80 0.110 -0.921 6.138 1.00 0.00 C ATOM 1067 O VAL A 80 -1.067 -0.629 6.352 1.00 0.00 O ATOM 1068 CB VAL A 80 0.653 -2.128 4.022 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.903 -1.322 3.698 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.702 -3.494 3.357 1.00 0.00 C ATOM 0 H VAL A 80 -1.229 -3.419 5.162 1.00 0.00 H new ATOM 0 HA VAL A 80 1.430 -2.606 5.976 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.210 -1.590 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.006 -1.229 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.821 -0.330 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.778 -1.830 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.821 -3.371 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.545 -4.061 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.224 -4.031 3.560 1.00 0.00 H new ATOM 1080 N SER A 81 1.119 -0.095 6.401 1.00 0.00 N ATOM 1081 CA SER A 81 0.895 1.227 6.972 1.00 0.00 C ATOM 1082 C SER A 81 1.491 2.312 6.079 1.00 0.00 C ATOM 1083 O SER A 81 2.679 2.283 5.757 1.00 0.00 O ATOM 1084 CB SER A 81 1.505 1.312 8.372 1.00 0.00 C ATOM 1085 OG SER A 81 2.902 1.542 8.306 1.00 0.00 O ATOM 0 H SER A 81 2.099 -0.319 6.227 1.00 0.00 H new ATOM 0 HA SER A 81 -0.181 1.388 7.042 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.027 2.116 8.932 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.311 0.386 8.914 1.00 0.00 H new ATOM 0 HG SER A 81 3.193 1.519 7.371 1.00 0.00 H new ATOM 1091 N ILE A 82 0.658 3.267 5.683 1.00 0.00 N ATOM 1092 CA ILE A 82 1.101 4.361 4.827 1.00 0.00 C ATOM 1093 C ILE A 82 0.751 5.713 5.440 1.00 0.00 C ATOM 1094 O ILE A 82 -0.417 6.007 5.697 1.00 0.00 O ATOM 1095 CB ILE A 82 0.476 4.268 3.423 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.893 2.963 2.741 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.886 5.467 2.581 1.00 0.00 C ATOM 1098 CD1 ILE A 82 0.172 2.707 1.436 1.00 0.00 C ATOM 0 H ILE A 82 -0.328 3.306 5.941 1.00 0.00 H new ATOM 0 HA ILE A 82 2.184 4.274 4.738 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.609 4.273 3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.967 2.986 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.705 2.131 3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.437 5.387 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.544 6.383 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.972 5.491 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.517 1.766 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.901 2.651 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.380 3.520 0.740 1.00 0.00 H new ATOM 1110 N LYS A 83 1.769 6.535 5.668 1.00 0.00 N ATOM 1111 CA LYS A 83 1.571 7.859 6.247 1.00 0.00 C ATOM 1112 C LYS A 83 2.125 8.943 5.328 1.00 0.00 C ATOM 1113 O LYS A 83 3.328 9.001 5.075 1.00 0.00 O ATOM 1114 CB LYS A 83 2.243 7.944 7.618 1.00 0.00 C ATOM 1115 CG LYS A 83 1.349 7.500 8.763 1.00 0.00 C ATOM 1116 CD LYS A 83 1.704 8.214 10.057 1.00 0.00 C ATOM 1117 CE LYS A 83 2.970 7.644 10.679 1.00 0.00 C ATOM 1118 NZ LYS A 83 3.548 8.561 11.701 1.00 0.00 N ATOM 0 H LYS A 83 2.741 6.308 5.460 1.00 0.00 H new ATOM 0 HA LYS A 83 0.499 8.021 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.143 7.329 7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.561 8.972 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.307 7.699 8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.443 6.423 8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.841 9.278 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.878 8.123 10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.747 6.682 11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.707 7.460 9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.409 8.136 12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.785 9.471 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.854 8.717 12.460 1.00 0.00 H new ATOM 1132 N PHE A 84 1.240 9.802 4.832 1.00 0.00 N ATOM 1133 CA PHE A 84 1.640 10.884 3.942 1.00 0.00 C ATOM 1134 C PHE A 84 1.767 12.199 4.707 1.00 0.00 C ATOM 1135 O PHE A 84 0.771 12.864 4.987 1.00 0.00 O ATOM 1136 CB PHE A 84 0.630 11.039 2.804 1.00 0.00 C ATOM 1137 CG PHE A 84 1.000 12.105 1.814 1.00 0.00 C ATOM 1138 CD1 PHE A 84 2.107 11.953 0.993 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.242 13.259 1.701 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.450 12.932 0.081 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.581 14.243 0.791 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.686 14.078 -0.020 1.00 0.00 C ATOM 0 H PHE A 84 0.240 9.769 5.032 1.00 0.00 H new ATOM 0 HA PHE A 84 2.614 10.632 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.535 10.087 2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.348 11.270 3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.708 11.059 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.625 13.392 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.315 12.801 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.017 15.139 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.953 14.844 -0.733 1.00 0.00 H new ATOM 1152 N ASN A 85 3.000 12.565 5.043 1.00 0.00 N ATOM 1153 CA ASN A 85 3.257 13.799 5.777 1.00 0.00 C ATOM 1154 C ASN A 85 2.738 13.698 7.208 1.00 0.00 C ATOM 1155 O ASN A 85 2.078 14.610 7.705 1.00 0.00 O ATOM 1156 CB ASN A 85 2.603 14.985 5.067 1.00 0.00 C ATOM 1157 CG ASN A 85 2.924 15.022 3.585 1.00 0.00 C ATOM 1158 OD1 ASN A 85 3.372 14.028 3.012 1.00 0.00 O ATOM 1159 ND2 ASN A 85 2.696 16.169 2.958 1.00 0.00 N ATOM 0 H ASN A 85 3.836 12.025 4.819 1.00 0.00 H new ATOM 0 HA ASN A 85 4.335 13.955 5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.522 14.934 5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.938 15.912 5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.893 16.253 1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.324 16.967 3.473 1.00 0.00 H new ATOM 1166 N ASP A 86 3.043 12.585 7.865 1.00 0.00 N ATOM 1167 CA ASP A 86 2.609 12.366 9.241 1.00 0.00 C ATOM 1168 C ASP A 86 1.088 12.295 9.325 1.00 0.00 C ATOM 1169 O ASP A 86 0.488 12.763 10.293 1.00 0.00 O ATOM 1170 CB ASP A 86 3.131 13.482 10.147 1.00 0.00 C ATOM 1171 CG ASP A 86 4.490 13.160 10.738 1.00 0.00 C ATOM 1172 OD1 ASP A 86 4.771 11.965 10.963 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.272 14.105 10.974 1.00 0.00 O ATOM 0 H ASP A 86 3.589 11.820 7.468 1.00 0.00 H new ATOM 0 HA ASP A 86 3.019 11.414 9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.196 14.408 9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.419 13.654 10.954 1.00 0.00 H new ATOM 1178 N GLU A 87 0.470 11.707 8.306 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.982 11.577 8.266 1.00 0.00 C ATOM 1180 C GLU A 87 -1.391 10.202 7.742 1.00 0.00 C ATOM 1181 O GLU A 87 -0.834 9.708 6.761 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.590 12.671 7.385 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.833 13.978 8.119 1.00 0.00 C ATOM 1184 CD GLU A 87 -2.463 15.036 7.235 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -3.674 14.927 6.951 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.746 15.973 6.826 1.00 0.00 O ATOM 0 H GLU A 87 0.951 11.313 7.498 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.359 11.687 9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.926 12.856 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.535 12.313 6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.481 13.794 8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.887 14.353 8.509 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.366 9.589 8.406 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.851 8.273 8.010 1.00 0.00 C ATOM 1195 C HIS A 88 -3.991 8.393 7.003 1.00 0.00 C ATOM 1196 O HIS A 88 -5.164 8.379 7.377 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.317 7.487 9.236 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.267 6.583 9.804 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.166 5.248 9.475 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.268 6.830 10.683 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.150 4.712 10.129 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.588 5.652 10.869 1.00 0.00 N ATOM 0 H HIS A 88 -2.835 9.983 9.221 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.028 7.738 7.537 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.636 8.188 10.007 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.189 6.892 8.966 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.047 7.778 11.151 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.833 3.681 10.069 1.00 0.00 H new ATOM 0 HE2 HIS A 88 0.219 5.523 11.479 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.638 8.512 5.728 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.631 8.634 4.669 1.00 0.00 C ATOM 1212 C ILE A 89 -5.832 7.732 4.935 1.00 0.00 C ATOM 1213 O ILE A 89 -5.739 6.725 5.636 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.033 8.283 3.293 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.274 6.957 3.366 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.119 9.399 2.813 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.532 6.615 2.094 1.00 0.00 C ATOM 0 H ILE A 89 -2.671 8.527 5.403 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.956 9.674 4.659 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.847 8.174 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.563 6.999 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.978 6.157 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.704 9.136 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.689 10.324 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.308 9.538 3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.017 5.662 2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.240 6.540 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.803 7.396 1.877 1.00 0.00 H new ATOM 1229 N PRO A 90 -6.986 8.100 4.359 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.227 7.336 4.517 1.00 0.00 C ATOM 1231 C PRO A 90 -8.179 5.995 3.793 1.00 0.00 C ATOM 1232 O PRO A 90 -9.174 5.272 3.740 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.286 8.245 3.889 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.534 9.084 2.913 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.169 9.288 3.509 1.00 0.00 C ATOM 0 HA PRO A 90 -8.423 7.088 5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.064 7.664 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.778 8.859 4.643 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.467 8.590 1.944 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.036 10.038 2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.400 9.353 2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.118 10.209 4.090 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.017 5.670 3.235 1.00 0.00 N ATOM 1244 CA GLU A 91 -6.841 4.415 2.514 1.00 0.00 C ATOM 1245 C GLU A 91 -5.860 3.501 3.242 1.00 0.00 C ATOM 1246 O GLU A 91 -5.631 2.365 2.830 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.345 4.684 1.092 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.295 5.536 0.267 1.00 0.00 C ATOM 1249 CD GLU A 91 -8.487 4.752 -0.244 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -8.278 3.773 -0.991 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -9.631 5.117 0.100 1.00 0.00 O ATOM 0 H GLU A 91 -6.184 6.258 3.268 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.808 3.915 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.376 5.180 1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.190 3.732 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.647 6.371 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.755 5.961 -0.579 1.00 0.00 H new ATOM 1258 N SER A 92 -5.282 4.008 4.326 1.00 0.00 N ATOM 1259 CA SER A 92 -4.321 3.240 5.110 1.00 0.00 C ATOM 1260 C SER A 92 -4.742 3.178 6.575 1.00 0.00 C ATOM 1261 O SER A 92 -5.454 4.046 7.081 1.00 0.00 O ATOM 1262 CB SER A 92 -2.926 3.858 4.995 1.00 0.00 C ATOM 1263 OG SER A 92 -2.197 3.702 6.200 1.00 0.00 O ATOM 0 H SER A 92 -5.462 4.947 4.682 1.00 0.00 H new ATOM 0 HA SER A 92 -4.295 2.225 4.713 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.383 3.388 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.013 4.917 4.754 1.00 0.00 H new ATOM 0 HG SER A 92 -1.969 4.584 6.561 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.292 2.126 7.274 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.445 1.086 6.683 1.00 0.00 C ATOM 1271 C PRO A 93 -4.202 0.220 5.682 1.00 0.00 C ATOM 1272 O PRO A 93 -5.432 0.246 5.630 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.012 0.251 7.892 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.085 0.463 8.903 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.577 1.870 8.696 1.00 0.00 C ATOM 0 HA PRO A 93 -2.613 1.510 6.120 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.916 -0.803 7.631 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.042 0.575 8.270 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.893 -0.256 8.771 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.701 0.329 9.914 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.641 1.960 8.915 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.058 2.577 9.343 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.461 -0.545 4.889 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.063 -1.417 3.888 1.00 0.00 C ATOM 1285 C TYR A 94 -4.045 -2.871 4.350 1.00 0.00 C ATOM 1286 O TYR A 94 -3.159 -3.287 5.099 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.323 -1.285 2.555 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.511 0.060 1.890 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -2.880 1.195 2.384 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.316 0.195 0.767 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.049 2.426 1.780 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.490 1.421 0.154 1.00 0.00 C ATOM 1293 CZ TYR A 94 -3.854 2.535 0.665 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.024 3.758 0.060 1.00 0.00 O ATOM 0 H TYR A 94 -2.442 -0.579 4.920 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.100 -1.110 3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.259 -1.453 2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.668 -2.067 1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.247 1.114 3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.815 -0.674 0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.553 3.299 2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.119 1.507 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.508 4.437 0.544 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.029 -3.640 3.897 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.127 -5.049 4.263 1.00 0.00 C ATOM 1306 C LEU A 95 -5.067 -5.938 3.026 1.00 0.00 C ATOM 1307 O LEU A 95 -6.028 -6.022 2.261 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.427 -5.308 5.028 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.523 -6.650 5.753 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.512 -6.718 6.887 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.933 -6.873 6.281 1.00 0.00 C ATOM 0 H LEU A 95 -5.769 -3.312 3.277 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.280 -5.292 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.559 -4.512 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.258 -5.236 4.327 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.294 -7.442 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.595 -7.681 7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.505 -6.605 6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.710 -5.917 7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.982 -7.833 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.191 -6.076 6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.638 -6.870 5.449 1.00 0.00 H new ATOM 1323 N VAL A 96 -3.932 -6.603 2.836 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.746 -7.489 1.693 1.00 0.00 C ATOM 1325 C VAL A 96 -3.699 -8.949 2.130 1.00 0.00 C ATOM 1326 O VAL A 96 -2.706 -9.425 2.681 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.453 -7.152 0.926 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.422 -7.877 -0.411 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.327 -5.649 0.730 1.00 0.00 C ATOM 0 H VAL A 96 -3.127 -6.545 3.459 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.601 -7.338 1.034 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.601 -7.491 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.502 -7.627 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.463 -8.953 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.279 -7.571 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.408 -5.429 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.182 -5.283 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.301 -5.156 1.702 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.797 -9.677 1.881 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.906 -11.094 2.241 1.00 0.00 C ATOM 1341 C PRO A 97 -4.005 -11.979 1.387 1.00 0.00 C ATOM 1342 O PRO A 97 -4.422 -12.482 0.343 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.379 -11.416 1.976 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.803 -10.424 0.948 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.017 -9.173 1.228 1.00 0.00 C ATOM 0 HA PRO A 97 -4.594 -11.279 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.503 -12.437 1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.974 -11.324 2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.602 -10.794 -0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.874 -10.233 1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.787 -8.629 0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.566 -8.489 1.875 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.768 -12.166 1.836 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.809 -12.993 1.112 1.00 0.00 C ATOM 1355 C VAL A 98 -2.089 -14.476 1.329 1.00 0.00 C ATOM 1356 O VAL A 98 -2.472 -14.893 2.423 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.364 -12.686 1.548 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.620 -13.559 0.785 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.049 -11.211 1.346 1.00 0.00 C ATOM 0 H VAL A 98 -2.406 -11.756 2.697 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.920 -12.756 0.054 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.267 -12.913 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.636 -13.328 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.406 -14.609 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.525 -13.366 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.976 -11.012 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.163 -10.956 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.734 -10.608 1.942 1.00 0.00 H new ATOM 1369 N ILE A 99 -1.896 -15.268 0.280 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.126 -16.705 0.355 1.00 0.00 C ATOM 1371 C ILE A 99 -1.008 -17.478 -0.337 1.00 0.00 C ATOM 1372 O ILE A 99 -0.323 -16.949 -1.212 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.474 -17.094 -0.281 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.493 -16.707 -1.762 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.622 -16.426 0.461 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.360 -17.611 -2.611 1.00 0.00 C ATOM 0 H ILE A 99 -1.581 -14.938 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.144 -16.966 1.413 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.598 -18.174 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.849 -15.681 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.474 -16.727 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.568 -16.710 -0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.616 -16.745 1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.506 -15.343 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.326 -17.278 -3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.991 -18.635 -2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.388 -17.572 -2.251 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.831 -18.733 0.061 1.00 0.00 N ATOM 1389 CA ALA A 100 0.201 -19.581 -0.523 1.00 0.00 C ATOM 1390 C ALA A 100 -0.250 -20.152 -1.864 1.00 0.00 C ATOM 1391 O ALA A 100 -1.209 -20.920 -1.946 1.00 0.00 O ATOM 1392 CB ALA A 100 0.567 -20.705 0.435 1.00 0.00 C ATOM 0 H ALA A 100 -1.389 -19.185 0.785 1.00 0.00 H new ATOM 0 HA ALA A 100 1.084 -18.966 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.339 -21.330 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.941 -20.281 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.316 -21.310 0.640 1.00 0.00 H new ATOM 1398 N PRO A 101 0.454 -19.768 -2.939 1.00 0.00 N ATOM 1399 CA PRO A 101 0.143 -20.231 -4.294 1.00 0.00 C ATOM 1400 C PRO A 101 0.461 -21.710 -4.490 1.00 0.00 C ATOM 1401 O PRO A 101 1.586 -22.149 -4.251 1.00 0.00 O ATOM 1402 CB PRO A 101 1.045 -19.367 -5.179 1.00 0.00 C ATOM 1403 CG PRO A 101 2.182 -18.981 -4.297 1.00 0.00 C ATOM 1404 CD PRO A 101 1.608 -18.855 -2.914 1.00 0.00 C ATOM 0 HA PRO A 101 -0.918 -20.137 -4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.391 -19.921 -6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.514 -18.489 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.971 -19.733 -4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.627 -18.040 -4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.331 -19.143 -2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.305 -17.831 -2.696 1.00 0.00 H new ATOM 1412 N SER A 102 -0.535 -22.472 -4.927 1.00 0.00 N ATOM 1413 CA SER A 102 -0.361 -23.903 -5.152 1.00 0.00 C ATOM 1414 C SER A 102 0.821 -24.166 -6.080 1.00 0.00 C ATOM 1415 O SER A 102 0.945 -23.549 -7.138 1.00 0.00 O ATOM 1416 CB SER A 102 -1.635 -24.505 -5.747 1.00 0.00 C ATOM 1417 OG SER A 102 -1.944 -23.914 -6.998 1.00 0.00 O ATOM 0 H SER A 102 -1.471 -22.123 -5.133 1.00 0.00 H new ATOM 0 HA SER A 102 -0.159 -24.376 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.509 -25.581 -5.871 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.466 -24.359 -5.057 1.00 0.00 H new ATOM 0 HG SER A 102 -1.114 -23.670 -7.459 1.00 0.00 H new ATOM 1423 N ASP A 103 1.687 -25.089 -5.676 1.00 0.00 N ATOM 1424 CA ASP A 103 2.860 -25.436 -6.471 1.00 0.00 C ATOM 1425 C ASP A 103 2.862 -26.923 -6.813 1.00 0.00 C ATOM 1426 O ASP A 103 2.090 -27.701 -6.253 1.00 0.00 O ATOM 1427 CB ASP A 103 4.140 -25.073 -5.715 1.00 0.00 C ATOM 1428 CG ASP A 103 4.261 -25.805 -4.394 1.00 0.00 C ATOM 1429 OD1 ASP A 103 4.679 -26.981 -4.404 1.00 0.00 O ATOM 1430 OD2 ASP A 103 3.937 -25.201 -3.349 1.00 0.00 O ATOM 0 H ASP A 103 1.599 -25.610 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 103 2.822 -24.867 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.004 -25.307 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.159 -23.998 -5.534 1.00 0.00 H new ATOM 1435 N ASP A 104 3.735 -27.311 -7.737 1.00 0.00 N ATOM 1436 CA ASP A 104 3.838 -28.704 -8.155 1.00 0.00 C ATOM 1437 C ASP A 104 5.192 -28.978 -8.803 1.00 0.00 C ATOM 1438 O ASP A 104 5.798 -28.088 -9.398 1.00 0.00 O ATOM 1439 CB ASP A 104 2.712 -29.051 -9.131 1.00 0.00 C ATOM 1440 CG ASP A 104 2.481 -27.961 -10.159 1.00 0.00 C ATOM 1441 OD1 ASP A 104 1.743 -27.001 -9.851 1.00 0.00 O ATOM 1442 OD2 ASP A 104 3.038 -28.067 -11.270 1.00 0.00 O ATOM 0 H ASP A 104 4.381 -26.680 -8.211 1.00 0.00 H new ATOM 0 HA ASP A 104 3.746 -29.331 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.952 -29.983 -9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.791 -29.221 -8.573 1.00 0.00 H new ATOM 1447 N ALA A 105 5.660 -30.215 -8.681 1.00 0.00 N ATOM 1448 CA ALA A 105 6.941 -30.607 -9.256 1.00 0.00 C ATOM 1449 C ALA A 105 6.903 -30.542 -10.778 1.00 0.00 C ATOM 1450 O ALA A 105 7.837 -30.050 -11.411 1.00 0.00 O ATOM 1451 CB ALA A 105 7.320 -32.007 -8.795 1.00 0.00 C ATOM 0 H ALA A 105 5.172 -30.963 -8.189 1.00 0.00 H new ATOM 0 HA ALA A 105 7.698 -29.904 -8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.279 -32.287 -9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.398 -32.023 -7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.555 -32.715 -9.115 1.00 0.00 H new TER 1457 ALA A 105