USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 821 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 Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= -0.0448 (180deg=-0.489) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= -1.96 (180deg=-4.98!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= -0.0363 (180deg=-0.0909) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 70:sc= -2.65 USER MOD Single : A 53 SER OG : rot 180:sc= -2.62! USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.0175 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.46) USER MOD Single : A 81 ASN : amide:sc= -0.0976 X(o=-0.098,f=-0.12) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 116:sc= -2.72! USER MOD Single : A 91 MET CE :methyl -175:sc= -3.78 (180deg=-4.09!) USER MOD Single : A 93 GLN : amide:sc= -0.0856 K(o=-0.086,f=-0.7) USER MOD Single : A 95 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 96 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.41) USER MOD Single : A 98 HIS : no HD1:sc= -12.9! C(o=-13!,f=-14!) USER MOD Single : A 99 HIS : no HD1:sc= -5.05! C(o=-5.1!,f=-6.3!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -70:sc= -4.45! USER MOD Single : A 110 SER OG : rot -147:sc= 0.0246 USER MOD Single : A 113 SER OG : rot -57:sc= 1 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -1.759 12.582 11.755 1.00 0.00 N ATOM 2 CA GLY A 18 -2.094 12.886 10.334 1.00 0.00 C ATOM 3 C GLY A 18 -2.202 14.399 10.146 1.00 0.00 C ATOM 4 O GLY A 18 -1.451 14.999 9.403 1.00 0.00 O ATOM 0 HA2 GLY A 18 -1.327 12.481 9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.034 12.407 10.061 1.00 0.00 H new ATOM 8 N GLU A 19 -3.134 15.024 10.812 1.00 0.00 N ATOM 9 CA GLU A 19 -3.291 16.501 10.670 1.00 0.00 C ATOM 10 C GLU A 19 -1.925 17.188 10.741 1.00 0.00 C ATOM 11 O GLU A 19 -1.632 18.088 9.979 1.00 0.00 O ATOM 12 CB GLU A 19 -4.165 16.924 11.853 1.00 0.00 C ATOM 13 CG GLU A 19 -5.351 17.746 11.345 1.00 0.00 C ATOM 14 CD GLU A 19 -6.645 16.958 11.553 1.00 0.00 C ATOM 15 OE1 GLU A 19 -6.632 15.762 11.316 1.00 0.00 O ATOM 16 OE2 GLU A 19 -7.628 17.564 11.948 1.00 0.00 O ATOM 0 H GLU A 19 -3.794 14.577 11.448 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.737 16.778 9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.522 16.044 12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.579 17.511 12.560 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.402 18.696 11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.220 17.978 10.288 1.00 0.00 H new ATOM 23 N LYS A 20 -1.089 16.774 11.653 1.00 0.00 N ATOM 24 CA LYS A 20 0.256 17.409 11.775 1.00 0.00 C ATOM 25 C LYS A 20 1.198 16.888 10.684 1.00 0.00 C ATOM 26 O LYS A 20 2.032 17.612 10.178 1.00 0.00 O ATOM 27 CB LYS A 20 0.763 17.005 13.161 1.00 0.00 C ATOM 28 CG LYS A 20 1.551 18.166 13.775 1.00 0.00 C ATOM 29 CD LYS A 20 0.578 19.230 14.288 1.00 0.00 C ATOM 30 CE LYS A 20 0.109 18.858 15.698 1.00 0.00 C ATOM 31 NZ LYS A 20 0.787 19.831 16.598 1.00 0.00 N ATOM 0 H LYS A 20 -1.278 16.025 12.319 1.00 0.00 H new ATOM 0 HA LYS A 20 0.209 18.492 11.657 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.076 16.741 13.804 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.397 16.121 13.085 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.174 17.804 14.593 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.220 18.599 13.031 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.064 20.206 14.301 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.278 19.308 13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.975 18.929 15.785 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.382 17.833 15.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.515 19.640 17.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.818 19.736 16.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.502 20.798 16.341 1.00 0.00 H new ATOM 45 N ILE A 21 1.075 15.641 10.316 1.00 0.00 N ATOM 46 CA ILE A 21 1.969 15.083 9.258 1.00 0.00 C ATOM 47 C ILE A 21 1.687 15.765 7.918 1.00 0.00 C ATOM 48 O ILE A 21 2.495 15.724 7.012 1.00 0.00 O ATOM 49 CB ILE A 21 1.630 13.586 9.200 1.00 0.00 C ATOM 50 CG1 ILE A 21 2.453 12.836 10.254 1.00 0.00 C ATOM 51 CG2 ILE A 21 1.960 13.020 7.814 1.00 0.00 C ATOM 52 CD1 ILE A 21 2.384 13.579 11.590 1.00 0.00 C ATOM 0 H ILE A 21 0.396 14.985 10.701 1.00 0.00 H new ATOM 0 HA ILE A 21 3.025 15.246 9.474 1.00 0.00 H new ATOM 0 HB ILE A 21 0.565 13.459 9.396 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.072 11.821 10.372 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.489 12.752 9.927 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.715 11.958 7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.377 13.546 7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.023 13.152 7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.970 13.042 12.336 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.786 14.585 11.468 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.347 13.640 11.919 1.00 0.00 H new ATOM 64 N ARG A 22 0.553 16.389 7.778 1.00 0.00 N ATOM 65 CA ARG A 22 0.245 17.065 6.491 1.00 0.00 C ATOM 66 C ARG A 22 0.808 18.487 6.494 1.00 0.00 C ATOM 67 O ARG A 22 1.272 18.983 5.486 1.00 0.00 O ATOM 68 CB ARG A 22 -1.278 17.089 6.397 1.00 0.00 C ATOM 69 CG ARG A 22 -1.707 16.574 5.022 1.00 0.00 C ATOM 70 CD ARG A 22 -0.848 17.231 3.935 1.00 0.00 C ATOM 71 NE ARG A 22 -1.547 16.926 2.656 1.00 0.00 N ATOM 72 CZ ARG A 22 -2.756 17.374 2.450 1.00 0.00 C ATOM 73 NH1 ARG A 22 -2.992 18.656 2.492 1.00 0.00 N ATOM 74 NH2 ARG A 22 -3.729 16.540 2.203 1.00 0.00 N ATOM 0 H ARG A 22 -0.170 16.460 8.494 1.00 0.00 H new ATOM 0 HA ARG A 22 0.690 16.548 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.712 16.470 7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.647 18.103 6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.600 15.490 4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.760 16.797 4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.765 18.306 4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.166 16.830 3.936 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.081 16.367 1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.232 19.308 2.686 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.936 19.006 2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.545 15.537 2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.673 16.891 2.042 1.00 0.00 H new ATOM 86 N LYS A 23 0.781 19.145 7.619 1.00 0.00 N ATOM 87 CA LYS A 23 1.324 20.527 7.681 1.00 0.00 C ATOM 88 C LYS A 23 2.833 20.483 7.408 1.00 0.00 C ATOM 89 O LYS A 23 3.373 21.318 6.711 1.00 0.00 O ATOM 90 CB LYS A 23 1.000 21.000 9.108 1.00 0.00 C ATOM 91 CG LYS A 23 2.162 21.809 9.692 1.00 0.00 C ATOM 92 CD LYS A 23 2.310 23.122 8.923 1.00 0.00 C ATOM 93 CE LYS A 23 2.685 24.244 9.894 1.00 0.00 C ATOM 94 NZ LYS A 23 1.433 24.534 10.647 1.00 0.00 N ATOM 0 H LYS A 23 0.406 18.785 8.497 1.00 0.00 H new ATOM 0 HA LYS A 23 0.899 21.206 6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.096 21.609 9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.796 20.138 9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.982 22.012 10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.086 21.234 9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.076 23.021 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.377 23.364 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.487 23.935 10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.039 25.126 9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.405 25.543 10.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.610 24.303 10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.408 23.960 11.514 1.00 0.00 H new ATOM 108 N LYS A 24 3.511 19.506 7.947 1.00 0.00 N ATOM 109 CA LYS A 24 4.978 19.397 7.713 1.00 0.00 C ATOM 110 C LYS A 24 5.237 18.649 6.406 1.00 0.00 C ATOM 111 O LYS A 24 6.109 19.005 5.637 1.00 0.00 O ATOM 112 CB LYS A 24 5.530 18.594 8.897 1.00 0.00 C ATOM 113 CG LYS A 24 4.785 18.969 10.179 1.00 0.00 C ATOM 114 CD LYS A 24 5.768 19.001 11.351 1.00 0.00 C ATOM 115 CE LYS A 24 5.432 17.873 12.330 1.00 0.00 C ATOM 116 NZ LYS A 24 6.667 17.691 13.142 1.00 0.00 N ATOM 0 H LYS A 24 3.111 18.778 8.540 1.00 0.00 H new ATOM 0 HA LYS A 24 5.452 20.376 7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.423 17.527 8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.595 18.791 9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.309 19.943 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.992 18.247 10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.789 18.888 10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.715 19.965 11.858 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.581 18.136 12.958 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.168 16.957 11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.516 16.933 13.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.458 17.435 12.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.890 18.577 13.638 1.00 0.00 H new ATOM 130 N TYR A 25 4.490 17.609 6.150 1.00 0.00 N ATOM 131 CA TYR A 25 4.697 16.834 4.896 1.00 0.00 C ATOM 132 C TYR A 25 3.474 16.956 3.982 1.00 0.00 C ATOM 133 O TYR A 25 2.763 15.995 3.767 1.00 0.00 O ATOM 134 CB TYR A 25 4.879 15.390 5.359 1.00 0.00 C ATOM 135 CG TYR A 25 5.841 15.351 6.524 1.00 0.00 C ATOM 136 CD1 TYR A 25 7.127 15.885 6.385 1.00 0.00 C ATOM 137 CD2 TYR A 25 5.444 14.785 7.741 1.00 0.00 C ATOM 138 CE1 TYR A 25 8.018 15.852 7.465 1.00 0.00 C ATOM 139 CE2 TYR A 25 6.334 14.752 8.820 1.00 0.00 C ATOM 140 CZ TYR A 25 7.621 15.285 8.683 1.00 0.00 C ATOM 141 OH TYR A 25 8.498 15.255 9.747 1.00 0.00 O ATOM 0 H TYR A 25 3.746 17.264 6.756 1.00 0.00 H new ATOM 0 HA TYR A 25 5.551 17.194 4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.918 14.967 5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.259 14.779 4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.432 16.322 5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.451 14.374 7.847 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.011 16.264 7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.028 14.315 9.759 1.00 0.00 H new ATOM 0 HH TYR A 25 8.065 14.829 10.516 1.00 0.00 H new ATOM 151 N PRO A 26 3.273 18.141 3.471 1.00 0.00 N ATOM 152 CA PRO A 26 2.125 18.397 2.566 1.00 0.00 C ATOM 153 C PRO A 26 2.372 17.761 1.195 1.00 0.00 C ATOM 154 O PRO A 26 1.548 17.844 0.305 1.00 0.00 O ATOM 155 CB PRO A 26 2.087 19.918 2.459 1.00 0.00 C ATOM 156 CG PRO A 26 3.484 20.362 2.754 1.00 0.00 C ATOM 157 CD PRO A 26 4.086 19.342 3.687 1.00 0.00 C ATOM 0 HA PRO A 26 1.189 17.976 2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.774 20.236 1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.379 20.346 3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.067 20.435 1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.485 21.351 3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.136 19.160 3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.040 19.674 4.724 1.00 0.00 H new ATOM 165 N ASP A 27 3.500 17.131 1.016 1.00 0.00 N ATOM 166 CA ASP A 27 3.796 16.493 -0.299 1.00 0.00 C ATOM 167 C ASP A 27 3.933 14.977 -0.133 1.00 0.00 C ATOM 168 O ASP A 27 4.330 14.277 -1.044 1.00 0.00 O ATOM 169 CB ASP A 27 5.123 17.106 -0.746 1.00 0.00 C ATOM 170 CG ASP A 27 4.860 18.166 -1.818 1.00 0.00 C ATOM 171 OD1 ASP A 27 3.760 18.691 -1.845 1.00 0.00 O ATOM 172 OD2 ASP A 27 5.763 18.432 -2.593 1.00 0.00 O ATOM 0 H ASP A 27 4.229 17.030 1.722 1.00 0.00 H new ATOM 0 HA ASP A 27 3.003 16.661 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.634 17.554 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.780 16.330 -1.140 1.00 0.00 H new ATOM 177 N ARG A 28 3.607 14.464 1.022 1.00 0.00 N ATOM 178 CA ARG A 28 3.718 12.993 1.242 1.00 0.00 C ATOM 179 C ARG A 28 2.375 12.316 0.962 1.00 0.00 C ATOM 180 O ARG A 28 1.450 12.928 0.467 1.00 0.00 O ATOM 181 CB ARG A 28 4.101 12.837 2.713 1.00 0.00 C ATOM 182 CG ARG A 28 5.614 12.647 2.830 1.00 0.00 C ATOM 183 CD ARG A 28 6.330 13.879 2.272 1.00 0.00 C ATOM 184 NE ARG A 28 7.597 13.973 3.048 1.00 0.00 N ATOM 185 CZ ARG A 28 8.732 14.138 2.426 1.00 0.00 C ATOM 186 NH1 ARG A 28 9.039 15.303 1.927 1.00 0.00 N ATOM 187 NH2 ARG A 28 9.561 13.137 2.303 1.00 0.00 N ATOM 0 H ARG A 28 3.269 14.999 1.822 1.00 0.00 H new ATOM 0 HA ARG A 28 4.452 12.531 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.790 13.717 3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.582 11.982 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.892 12.493 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.922 11.756 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.528 13.771 1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.724 14.777 2.395 1.00 0.00 H new ATOM 0 HE ARG A 28 7.578 13.908 4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.392 16.085 2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.926 15.432 1.441 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.321 12.226 2.693 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.448 13.266 1.817 1.00 0.00 H new ATOM 199 N VAL A 29 2.262 11.055 1.278 1.00 0.00 N ATOM 200 CA VAL A 29 0.979 10.338 1.032 1.00 0.00 C ATOM 201 C VAL A 29 0.758 9.266 2.106 1.00 0.00 C ATOM 202 O VAL A 29 1.440 8.257 2.127 1.00 0.00 O ATOM 203 CB VAL A 29 1.139 9.697 -0.349 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.091 8.597 -0.533 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.945 10.764 -1.430 1.00 0.00 C ATOM 0 H VAL A 29 3.002 10.491 1.696 1.00 0.00 H new ATOM 0 HA VAL A 29 0.118 11.005 1.070 1.00 0.00 H new ATOM 0 HB VAL A 29 2.136 9.265 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.208 8.143 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.224 7.836 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.907 9.027 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.059 10.310 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.053 11.194 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.691 11.549 -1.305 1.00 0.00 H new ATOM 215 N PRO A 30 -0.197 9.525 2.960 1.00 0.00 N ATOM 216 CA PRO A 30 -0.530 8.574 4.049 1.00 0.00 C ATOM 217 C PRO A 30 -1.306 7.380 3.486 1.00 0.00 C ATOM 218 O PRO A 30 -2.521 7.351 3.499 1.00 0.00 O ATOM 219 CB PRO A 30 -1.411 9.395 4.985 1.00 0.00 C ATOM 220 CG PRO A 30 -2.010 10.459 4.121 1.00 0.00 C ATOM 221 CD PRO A 30 -1.044 10.721 2.994 1.00 0.00 C ATOM 0 HA PRO A 30 0.349 8.166 4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.184 8.777 5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.827 9.829 5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.976 10.138 3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.184 11.368 4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.566 10.866 2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.456 11.621 3.175 1.00 0.00 H new ATOM 229 N VAL A 31 -0.615 6.403 2.974 1.00 0.00 N ATOM 230 CA VAL A 31 -1.307 5.223 2.397 1.00 0.00 C ATOM 231 C VAL A 31 -1.690 4.219 3.492 1.00 0.00 C ATOM 232 O VAL A 31 -0.884 3.849 4.320 1.00 0.00 O ATOM 233 CB VAL A 31 -0.297 4.605 1.417 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.520 5.705 0.732 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.655 3.651 2.151 1.00 0.00 C ATOM 0 H VAL A 31 0.404 6.372 2.931 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.237 5.502 1.902 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.855 4.045 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.231 5.253 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.149 6.367 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.060 6.279 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.362 3.224 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.200 4.200 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.080 2.850 2.616 1.00 0.00 H new ATOM 245 N ILE A 32 -2.909 3.759 3.481 1.00 0.00 N ATOM 246 CA ILE A 32 -3.336 2.757 4.497 1.00 0.00 C ATOM 247 C ILE A 32 -3.154 1.359 3.910 1.00 0.00 C ATOM 248 O ILE A 32 -3.367 1.144 2.733 1.00 0.00 O ATOM 249 CB ILE A 32 -4.813 3.046 4.761 1.00 0.00 C ATOM 250 CG1 ILE A 32 -4.966 4.474 5.288 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.349 2.059 5.800 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.276 4.595 6.648 1.00 0.00 C ATOM 0 H ILE A 32 -3.629 4.033 2.812 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.757 2.812 5.419 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.376 2.938 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.529 5.181 4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.022 4.727 5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.403 2.265 5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.240 1.041 5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.787 2.166 6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.386 5.613 7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.733 3.899 7.351 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.217 4.360 6.541 1.00 0.00 H new ATOM 264 N VAL A 33 -2.747 0.407 4.700 1.00 0.00 N ATOM 265 CA VAL A 33 -2.545 -0.956 4.144 1.00 0.00 C ATOM 266 C VAL A 33 -3.358 -1.997 4.923 1.00 0.00 C ATOM 267 O VAL A 33 -3.576 -1.879 6.113 1.00 0.00 O ATOM 268 CB VAL A 33 -1.026 -1.195 4.247 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.703 -2.337 5.222 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.491 -1.549 2.859 1.00 0.00 C ATOM 0 H VAL A 33 -2.548 0.512 5.695 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.892 -1.046 3.115 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.555 -0.287 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.377 -2.479 5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.081 -2.087 6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.175 -3.256 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.584 -1.721 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.984 -2.452 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.691 -0.727 2.172 1.00 0.00 H new ATOM 280 N GLU A 34 -3.796 -3.017 4.243 1.00 0.00 N ATOM 281 CA GLU A 34 -4.591 -4.090 4.902 1.00 0.00 C ATOM 282 C GLU A 34 -4.472 -5.379 4.084 1.00 0.00 C ATOM 283 O GLU A 34 -3.729 -5.446 3.125 1.00 0.00 O ATOM 284 CB GLU A 34 -6.032 -3.580 4.899 1.00 0.00 C ATOM 285 CG GLU A 34 -6.700 -3.931 6.229 1.00 0.00 C ATOM 286 CD GLU A 34 -8.207 -4.088 6.018 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.895 -3.081 6.041 1.00 0.00 O ATOM 288 OE2 GLU A 34 -8.646 -5.211 5.837 1.00 0.00 O ATOM 0 H GLU A 34 -3.635 -3.155 3.245 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.249 -4.309 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.047 -2.501 4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.585 -4.027 4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.280 -4.855 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.504 -3.150 6.964 1.00 0.00 H new ATOM 295 N LYS A 35 -5.196 -6.401 4.442 1.00 0.00 N ATOM 296 CA LYS A 35 -5.107 -7.669 3.665 1.00 0.00 C ATOM 297 C LYS A 35 -6.477 -8.055 3.111 1.00 0.00 C ATOM 298 O LYS A 35 -7.503 -7.609 3.585 1.00 0.00 O ATOM 299 CB LYS A 35 -4.627 -8.723 4.660 1.00 0.00 C ATOM 300 CG LYS A 35 -3.459 -9.503 4.052 1.00 0.00 C ATOM 301 CD LYS A 35 -2.252 -8.575 3.896 1.00 0.00 C ATOM 302 CE LYS A 35 -1.834 -8.046 5.270 1.00 0.00 C ATOM 303 NZ LYS A 35 -1.872 -9.232 6.170 1.00 0.00 N ATOM 0 H LYS A 35 -5.841 -6.415 5.232 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.433 -7.573 2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.315 -8.246 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.442 -9.403 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.201 -10.348 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.745 -9.911 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.424 -9.113 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.501 -7.745 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.836 -7.608 5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.513 -7.267 5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.190 -9.102 6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.828 -9.337 6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.625 -10.086 5.630 1.00 0.00 H new ATOM 317 N ALA A 36 -6.498 -8.894 2.117 1.00 0.00 N ATOM 318 CA ALA A 36 -7.799 -9.329 1.532 1.00 0.00 C ATOM 319 C ALA A 36 -8.585 -10.123 2.580 1.00 0.00 C ATOM 320 O ALA A 36 -8.157 -10.232 3.712 1.00 0.00 O ATOM 321 CB ALA A 36 -7.421 -10.220 0.346 1.00 0.00 C ATOM 0 H ALA A 36 -5.670 -9.300 1.681 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.425 -8.493 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.327 -10.582 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.831 -9.645 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.835 -11.068 0.700 1.00 0.00 H new ATOM 327 N PRO A 37 -9.706 -10.661 2.177 1.00 0.00 N ATOM 328 CA PRO A 37 -10.533 -11.455 3.116 1.00 0.00 C ATOM 329 C PRO A 37 -9.830 -12.778 3.430 1.00 0.00 C ATOM 330 O PRO A 37 -9.689 -13.634 2.580 1.00 0.00 O ATOM 331 CB PRO A 37 -11.835 -11.681 2.351 1.00 0.00 C ATOM 332 CG PRO A 37 -11.460 -11.557 0.910 1.00 0.00 C ATOM 333 CD PRO A 37 -10.307 -10.589 0.838 1.00 0.00 C ATOM 0 HA PRO A 37 -10.703 -10.964 4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.255 -12.663 2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.589 -10.944 2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.176 -12.526 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.304 -11.197 0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.594 -10.873 0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.646 -9.580 0.605 1.00 0.00 H new ATOM 341 N LYS A 38 -9.381 -12.946 4.644 1.00 0.00 N ATOM 342 CA LYS A 38 -8.679 -14.206 5.013 1.00 0.00 C ATOM 343 C LYS A 38 -7.403 -14.360 4.179 1.00 0.00 C ATOM 344 O LYS A 38 -7.086 -15.432 3.702 1.00 0.00 O ATOM 345 CB LYS A 38 -9.676 -15.316 4.692 1.00 0.00 C ATOM 346 CG LYS A 38 -10.199 -15.922 5.995 1.00 0.00 C ATOM 347 CD LYS A 38 -11.727 -15.843 6.018 1.00 0.00 C ATOM 348 CE LYS A 38 -12.225 -15.991 7.458 1.00 0.00 C ATOM 349 NZ LYS A 38 -13.480 -15.192 7.515 1.00 0.00 N ATOM 0 H LYS A 38 -9.471 -12.263 5.397 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.374 -14.225 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.504 -14.918 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.197 -16.086 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.877 -16.960 6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.784 -15.387 6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.059 -14.891 5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.152 -16.628 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.411 -17.036 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.488 -15.620 8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.882 -15.244 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.271 -14.200 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.165 -15.572 6.831 1.00 0.00 H new ATOM 363 N ALA A 39 -6.668 -13.294 4.002 1.00 0.00 N ATOM 364 CA ALA A 39 -5.411 -13.376 3.200 1.00 0.00 C ATOM 365 C ALA A 39 -4.486 -14.445 3.785 1.00 0.00 C ATOM 366 O ALA A 39 -4.831 -15.126 4.731 1.00 0.00 O ATOM 367 CB ALA A 39 -4.774 -11.992 3.322 1.00 0.00 C ATOM 0 H ALA A 39 -6.883 -12.370 4.378 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.598 -13.648 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.842 -11.970 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.457 -11.241 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.569 -11.777 4.371 1.00 0.00 H new ATOM 373 N ARG A 40 -3.315 -14.605 3.229 1.00 0.00 N ATOM 374 CA ARG A 40 -2.382 -15.640 3.761 1.00 0.00 C ATOM 375 C ARG A 40 -0.922 -15.207 3.584 1.00 0.00 C ATOM 376 O ARG A 40 -0.036 -16.031 3.469 1.00 0.00 O ATOM 377 CB ARG A 40 -2.669 -16.888 2.929 1.00 0.00 C ATOM 378 CG ARG A 40 -2.275 -16.626 1.475 1.00 0.00 C ATOM 379 CD ARG A 40 -2.455 -17.909 0.659 1.00 0.00 C ATOM 380 NE ARG A 40 -1.380 -18.822 1.137 1.00 0.00 N ATOM 381 CZ ARG A 40 -1.585 -20.111 1.167 1.00 0.00 C ATOM 382 NH1 ARG A 40 -2.290 -20.637 2.131 1.00 0.00 N ATOM 383 NH2 ARG A 40 -1.085 -20.873 0.234 1.00 0.00 N ATOM 0 H ARG A 40 -2.966 -14.068 2.435 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.528 -15.807 4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.111 -17.738 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.726 -17.145 2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.890 -15.828 1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.239 -16.291 1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.442 -18.343 0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.361 -17.714 -0.409 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.484 -18.441 1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.681 -20.041 2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.450 -21.644 2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.534 -20.462 -0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.245 -21.880 0.258 1.00 0.00 H new ATOM 395 N ILE A 41 -0.654 -13.929 3.565 1.00 0.00 N ATOM 396 CA ILE A 41 0.758 -13.482 3.402 1.00 0.00 C ATOM 397 C ILE A 41 1.419 -13.293 4.774 1.00 0.00 C ATOM 398 O ILE A 41 0.799 -13.471 5.804 1.00 0.00 O ATOM 399 CB ILE A 41 0.723 -12.180 2.577 1.00 0.00 C ATOM 400 CG1 ILE A 41 -0.082 -11.066 3.271 1.00 0.00 C ATOM 401 CG2 ILE A 41 0.085 -12.469 1.218 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.658 -10.572 4.506 1.00 0.00 C ATOM 0 H ILE A 41 -1.344 -13.183 3.654 1.00 0.00 H new ATOM 0 HA ILE A 41 1.359 -14.226 2.880 1.00 0.00 H new ATOM 0 HB ILE A 41 1.751 -11.833 2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.242 -10.239 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.066 -11.441 3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.056 -11.553 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.673 -13.221 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.930 -12.839 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.078 -9.785 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.795 -11.399 5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.631 -10.178 4.214 1.00 0.00 H new ATOM 414 N GLY A 42 2.684 -12.970 4.791 1.00 0.00 N ATOM 415 CA GLY A 42 3.411 -12.810 6.091 1.00 0.00 C ATOM 416 C GLY A 42 2.667 -11.858 7.026 1.00 0.00 C ATOM 417 O GLY A 42 1.596 -11.380 6.730 1.00 0.00 O ATOM 0 H GLY A 42 3.251 -12.809 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.522 -13.782 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.415 -12.430 5.905 1.00 0.00 H new ATOM 421 N ASP A 43 3.241 -11.584 8.165 1.00 0.00 N ATOM 422 CA ASP A 43 2.585 -10.662 9.134 1.00 0.00 C ATOM 423 C ASP A 43 2.835 -9.209 8.725 1.00 0.00 C ATOM 424 O ASP A 43 3.351 -8.938 7.659 1.00 0.00 O ATOM 425 CB ASP A 43 3.248 -10.963 10.479 1.00 0.00 C ATOM 426 CG ASP A 43 2.272 -10.648 11.613 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.078 -10.745 11.384 1.00 0.00 O ATOM 428 OD2 ASP A 43 2.736 -10.312 12.690 1.00 0.00 O ATOM 0 H ASP A 43 4.140 -11.961 8.467 1.00 0.00 H new ATOM 0 HA ASP A 43 1.505 -10.802 9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.546 -12.010 10.523 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.155 -10.368 10.590 1.00 0.00 H new ATOM 433 N LEU A 44 2.477 -8.271 9.559 1.00 0.00 N ATOM 434 CA LEU A 44 2.698 -6.839 9.204 1.00 0.00 C ATOM 435 C LEU A 44 3.117 -6.034 10.439 1.00 0.00 C ATOM 436 O LEU A 44 2.580 -6.205 11.516 1.00 0.00 O ATOM 437 CB LEU A 44 1.345 -6.349 8.688 1.00 0.00 C ATOM 438 CG LEU A 44 1.416 -6.131 7.176 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.596 -5.218 6.840 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.601 -7.478 6.474 1.00 0.00 C ATOM 0 H LEU A 44 2.043 -8.433 10.468 1.00 0.00 H new ATOM 0 HA LEU A 44 3.492 -6.720 8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.570 -7.078 8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.070 -5.419 9.186 1.00 0.00 H new ATOM 0 HG LEU A 44 0.491 -5.665 6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.643 -5.066 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.465 -4.257 7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.522 -5.680 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.652 -7.323 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.525 -7.943 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.758 -8.129 6.708 1.00 0.00 H new ATOM 452 N ASP A 45 4.067 -5.151 10.287 1.00 0.00 N ATOM 453 CA ASP A 45 4.514 -4.328 11.448 1.00 0.00 C ATOM 454 C ASP A 45 3.624 -3.090 11.580 1.00 0.00 C ATOM 455 O ASP A 45 3.364 -2.610 12.666 1.00 0.00 O ATOM 456 CB ASP A 45 5.953 -3.923 11.120 1.00 0.00 C ATOM 457 CG ASP A 45 6.908 -5.039 11.547 1.00 0.00 C ATOM 458 OD1 ASP A 45 6.523 -5.831 12.391 1.00 0.00 O ATOM 459 OD2 ASP A 45 8.010 -5.082 11.024 1.00 0.00 O ATOM 0 H ASP A 45 4.553 -4.964 9.410 1.00 0.00 H new ATOM 0 HA ASP A 45 4.453 -4.871 12.391 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.054 -3.733 10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.207 -2.996 11.634 1.00 0.00 H new ATOM 464 N LYS A 46 3.152 -2.571 10.479 1.00 0.00 N ATOM 465 CA LYS A 46 2.275 -1.368 10.533 1.00 0.00 C ATOM 466 C LYS A 46 1.339 -1.347 9.317 1.00 0.00 C ATOM 467 O LYS A 46 1.666 -1.865 8.268 1.00 0.00 O ATOM 468 CB LYS A 46 3.234 -0.178 10.487 1.00 0.00 C ATOM 469 CG LYS A 46 4.025 -0.210 9.178 1.00 0.00 C ATOM 470 CD LYS A 46 5.521 -0.295 9.489 1.00 0.00 C ATOM 471 CE LYS A 46 5.945 0.934 10.295 1.00 0.00 C ATOM 472 NZ LYS A 46 6.721 0.389 11.444 1.00 0.00 N ATOM 0 H LYS A 46 3.337 -2.930 9.542 1.00 0.00 H new ATOM 0 HA LYS A 46 1.647 -1.352 11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.676 0.755 10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.915 -0.214 11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.718 -1.065 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.815 0.684 8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.735 -1.204 10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.093 -0.351 8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.552 1.611 9.694 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.079 1.501 10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.370 1.119 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.067 0.106 12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.269 -0.438 11.132 1.00 0.00 H new ATOM 486 N LYS A 47 0.181 -0.752 9.445 1.00 0.00 N ATOM 487 CA LYS A 47 -0.758 -0.704 8.286 1.00 0.00 C ATOM 488 C LYS A 47 -0.902 0.736 7.797 1.00 0.00 C ATOM 489 O LYS A 47 -1.990 1.217 7.551 1.00 0.00 O ATOM 490 CB LYS A 47 -2.089 -1.226 8.828 1.00 0.00 C ATOM 491 CG LYS A 47 -2.007 -2.743 9.006 1.00 0.00 C ATOM 492 CD LYS A 47 -1.279 -3.065 10.312 1.00 0.00 C ATOM 493 CE LYS A 47 -1.598 -4.500 10.736 1.00 0.00 C ATOM 494 NZ LYS A 47 -1.933 -4.407 12.184 1.00 0.00 N ATOM 0 H LYS A 47 -0.153 -0.300 10.296 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.408 -1.297 7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.318 -0.749 9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.898 -0.973 8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.009 -3.173 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.480 -3.191 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.204 -2.944 10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.585 -2.368 11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.432 -4.905 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.746 -5.160 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.164 -5.353 12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.118 -4.025 12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.751 -3.778 12.311 1.00 0.00 H new ATOM 508 N LYS A 48 0.193 1.423 7.657 1.00 0.00 N ATOM 509 CA LYS A 48 0.141 2.834 7.182 1.00 0.00 C ATOM 510 C LYS A 48 1.541 3.286 6.775 1.00 0.00 C ATOM 511 O LYS A 48 2.410 3.464 7.606 1.00 0.00 O ATOM 512 CB LYS A 48 -0.359 3.640 8.381 1.00 0.00 C ATOM 513 CG LYS A 48 0.492 3.312 9.610 1.00 0.00 C ATOM 514 CD LYS A 48 1.020 4.609 10.227 1.00 0.00 C ATOM 515 CE LYS A 48 1.944 4.275 11.400 1.00 0.00 C ATOM 516 NZ LYS A 48 2.412 5.595 11.909 1.00 0.00 N ATOM 0 H LYS A 48 1.129 1.068 7.852 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.507 2.962 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.305 4.707 8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.405 3.407 8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.103 2.765 10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.324 2.666 9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.560 5.187 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.189 5.227 10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.415 3.719 12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.782 3.656 11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.052 5.449 12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.918 6.099 11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.593 6.160 12.214 1.00 0.00 H new ATOM 530 N TYR A 49 1.775 3.468 5.507 1.00 0.00 N ATOM 531 CA TYR A 49 3.128 3.902 5.067 1.00 0.00 C ATOM 532 C TYR A 49 3.106 5.372 4.657 1.00 0.00 C ATOM 533 O TYR A 49 2.182 5.841 4.024 1.00 0.00 O ATOM 534 CB TYR A 49 3.468 3.027 3.862 1.00 0.00 C ATOM 535 CG TYR A 49 3.653 1.592 4.297 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.571 0.860 4.802 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.914 0.995 4.194 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.751 -0.469 5.206 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.095 -0.333 4.596 1.00 0.00 C ATOM 540 CZ TYR A 49 4.014 -1.066 5.103 1.00 0.00 C ATOM 541 OH TYR A 49 4.192 -2.375 5.499 1.00 0.00 O ATOM 0 H TYR A 49 1.093 3.336 4.760 1.00 0.00 H new ATOM 0 HA TYR A 49 3.863 3.799 5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.671 3.090 3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.378 3.390 3.384 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.597 1.321 4.880 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.748 1.559 3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.917 -1.033 5.597 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.069 -0.793 4.515 1.00 0.00 H new ATOM 0 HH TYR A 49 3.735 -2.972 4.870 1.00 0.00 H new ATOM 551 N LEU A 50 4.130 6.091 5.000 1.00 0.00 N ATOM 552 CA LEU A 50 4.199 7.528 4.620 1.00 0.00 C ATOM 553 C LEU A 50 5.167 7.679 3.451 1.00 0.00 C ATOM 554 O LEU A 50 6.362 7.809 3.634 1.00 0.00 O ATOM 555 CB LEU A 50 4.728 8.249 5.858 1.00 0.00 C ATOM 556 CG LEU A 50 4.000 9.585 6.021 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.715 9.373 6.825 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.906 10.572 6.761 1.00 0.00 C ATOM 0 H LEU A 50 4.929 5.746 5.531 1.00 0.00 H new ATOM 0 HA LEU A 50 3.236 7.935 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.579 7.631 6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.801 8.417 5.764 1.00 0.00 H new ATOM 0 HG LEU A 50 3.751 9.985 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.197 10.325 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.069 8.670 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.963 8.973 7.808 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.388 11.524 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.154 10.171 7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.821 10.724 6.189 1.00 0.00 H new ATOM 570 N VAL A 51 4.667 7.642 2.251 1.00 0.00 N ATOM 571 CA VAL A 51 5.570 7.761 1.072 1.00 0.00 C ATOM 572 C VAL A 51 5.264 9.038 0.289 1.00 0.00 C ATOM 573 O VAL A 51 4.146 9.512 0.281 1.00 0.00 O ATOM 574 CB VAL A 51 5.274 6.520 0.229 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.414 5.266 1.098 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.847 6.602 -0.317 1.00 0.00 C ATOM 0 H VAL A 51 3.676 7.535 2.033 1.00 0.00 H new ATOM 0 HA VAL A 51 6.620 7.820 1.358 1.00 0.00 H new ATOM 0 HB VAL A 51 5.979 6.469 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.203 4.381 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.430 5.206 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.709 5.318 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.636 5.717 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.142 6.653 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.745 7.494 -0.936 1.00 0.00 H new ATOM 586 N PRO A 52 6.281 9.552 -0.346 1.00 0.00 N ATOM 587 CA PRO A 52 6.134 10.791 -1.144 1.00 0.00 C ATOM 588 C PRO A 52 5.307 10.509 -2.405 1.00 0.00 C ATOM 589 O PRO A 52 5.326 9.419 -2.940 1.00 0.00 O ATOM 590 CB PRO A 52 7.574 11.170 -1.484 1.00 0.00 C ATOM 591 CG PRO A 52 8.335 9.887 -1.414 1.00 0.00 C ATOM 592 CD PRO A 52 7.651 9.029 -0.382 1.00 0.00 C ATOM 0 HA PRO A 52 5.612 11.592 -0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.642 11.616 -2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.967 11.902 -0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.345 9.390 -2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.374 10.069 -1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.670 7.976 -0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.136 9.110 0.591 1.00 0.00 H new ATOM 600 N SER A 53 4.567 11.479 -2.865 1.00 0.00 N ATOM 601 CA SER A 53 3.717 11.271 -4.074 1.00 0.00 C ATOM 602 C SER A 53 4.569 10.952 -5.309 1.00 0.00 C ATOM 603 O SER A 53 4.069 10.482 -6.311 1.00 0.00 O ATOM 604 CB SER A 53 2.984 12.599 -4.262 1.00 0.00 C ATOM 605 OG SER A 53 1.717 12.531 -3.623 1.00 0.00 O ATOM 0 H SER A 53 4.513 12.411 -2.455 1.00 0.00 H new ATOM 0 HA SER A 53 3.037 10.428 -3.950 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.572 13.415 -3.842 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.858 12.811 -5.324 1.00 0.00 H new ATOM 0 HG SER A 53 1.245 13.382 -3.740 1.00 0.00 H new ATOM 611 N ASP A 54 5.844 11.214 -5.254 1.00 0.00 N ATOM 612 CA ASP A 54 6.715 10.938 -6.436 1.00 0.00 C ATOM 613 C ASP A 54 7.166 9.471 -6.463 1.00 0.00 C ATOM 614 O ASP A 54 7.685 8.998 -7.455 1.00 0.00 O ATOM 615 CB ASP A 54 7.919 11.862 -6.257 1.00 0.00 C ATOM 616 CG ASP A 54 8.771 11.843 -7.528 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.374 12.474 -8.494 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.806 11.196 -7.514 1.00 0.00 O ATOM 0 H ASP A 54 6.323 11.607 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 54 6.189 11.113 -7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.583 12.877 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.514 11.540 -5.403 1.00 0.00 H new ATOM 623 N LEU A 55 6.988 8.748 -5.391 1.00 0.00 N ATOM 624 CA LEU A 55 7.431 7.321 -5.385 1.00 0.00 C ATOM 625 C LEU A 55 6.681 6.508 -6.435 1.00 0.00 C ATOM 626 O LEU A 55 5.493 6.664 -6.633 1.00 0.00 O ATOM 627 CB LEU A 55 7.087 6.774 -4.000 1.00 0.00 C ATOM 628 CG LEU A 55 8.353 6.646 -3.154 1.00 0.00 C ATOM 629 CD1 LEU A 55 8.050 5.783 -1.928 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.467 5.977 -3.963 1.00 0.00 C ATOM 0 H LEU A 55 6.560 9.078 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 55 8.496 7.254 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.376 7.436 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.604 5.801 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 55 8.677 7.641 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.949 5.687 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.261 6.252 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.723 4.794 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.363 5.892 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.145 4.983 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.688 6.579 -4.845 1.00 0.00 H new ATOM 642 N THR A 56 7.369 5.617 -7.085 1.00 0.00 N ATOM 643 CA THR A 56 6.711 4.758 -8.106 1.00 0.00 C ATOM 644 C THR A 56 6.194 3.479 -7.440 1.00 0.00 C ATOM 645 O THR A 56 6.702 3.052 -6.418 1.00 0.00 O ATOM 646 CB THR A 56 7.805 4.434 -9.123 1.00 0.00 C ATOM 647 OG1 THR A 56 9.041 4.258 -8.446 1.00 0.00 O ATOM 648 CG2 THR A 56 7.928 5.583 -10.125 1.00 0.00 C ATOM 0 H THR A 56 8.366 5.445 -6.953 1.00 0.00 H new ATOM 0 HA THR A 56 5.859 5.246 -8.579 1.00 0.00 H new ATOM 0 HB THR A 56 7.548 3.518 -9.655 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.743 4.048 -9.097 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.708 5.352 -10.850 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.979 5.717 -10.644 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.185 6.501 -9.596 1.00 0.00 H new ATOM 656 N VAL A 57 5.193 2.863 -8.001 1.00 0.00 N ATOM 657 CA VAL A 57 4.656 1.616 -7.390 1.00 0.00 C ATOM 658 C VAL A 57 5.790 0.613 -7.162 1.00 0.00 C ATOM 659 O VAL A 57 5.679 -0.289 -6.358 1.00 0.00 O ATOM 660 CB VAL A 57 3.653 1.072 -8.405 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.021 -0.210 -7.862 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.560 2.115 -8.651 1.00 0.00 C ATOM 0 H VAL A 57 4.724 3.168 -8.854 1.00 0.00 H new ATOM 0 HA VAL A 57 4.191 1.798 -6.421 1.00 0.00 H new ATOM 0 HB VAL A 57 4.166 0.855 -9.342 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.305 -0.598 -8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.799 -0.953 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.508 0.006 -6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.844 1.727 -9.375 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.047 2.332 -7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.010 3.029 -9.039 1.00 0.00 H new ATOM 672 N GLY A 58 6.879 0.763 -7.867 1.00 0.00 N ATOM 673 CA GLY A 58 8.018 -0.183 -7.693 1.00 0.00 C ATOM 674 C GLY A 58 8.699 0.067 -6.343 1.00 0.00 C ATOM 675 O GLY A 58 9.065 -0.857 -5.644 1.00 0.00 O ATOM 0 H GLY A 58 7.029 1.500 -8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.660 -1.211 -7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.737 -0.054 -8.502 1.00 0.00 H new ATOM 679 N GLN A 59 8.870 1.307 -5.970 1.00 0.00 N ATOM 680 CA GLN A 59 9.528 1.608 -4.663 1.00 0.00 C ATOM 681 C GLN A 59 8.626 1.162 -3.511 1.00 0.00 C ATOM 682 O GLN A 59 9.062 0.509 -2.576 1.00 0.00 O ATOM 683 CB GLN A 59 9.705 3.125 -4.645 1.00 0.00 C ATOM 684 CG GLN A 59 10.530 3.554 -5.858 1.00 0.00 C ATOM 685 CD GLN A 59 11.907 4.035 -5.397 1.00 0.00 C ATOM 686 OE1 GLN A 59 12.180 5.219 -5.389 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.795 3.159 -5.012 1.00 0.00 N ATOM 0 H GLN A 59 8.584 2.123 -6.511 1.00 0.00 H new ATOM 0 HA GLN A 59 10.479 1.088 -4.549 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.732 3.616 -4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.202 3.433 -3.725 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.638 2.719 -6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.017 4.351 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.567 2.165 -5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.717 3.469 -4.705 1.00 0.00 H new ATOM 696 N PHE A 60 7.369 1.502 -3.568 1.00 0.00 N ATOM 697 CA PHE A 60 6.453 1.085 -2.474 1.00 0.00 C ATOM 698 C PHE A 60 6.414 -0.443 -2.395 1.00 0.00 C ATOM 699 O PHE A 60 6.529 -1.019 -1.335 1.00 0.00 O ATOM 700 CB PHE A 60 5.077 1.641 -2.845 1.00 0.00 C ATOM 701 CG PHE A 60 4.123 1.394 -1.699 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.442 1.856 -0.417 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.930 0.693 -1.913 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.570 1.618 0.652 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.059 0.453 -0.843 1.00 0.00 C ATOM 706 CZ PHE A 60 2.380 0.917 0.440 1.00 0.00 C ATOM 0 H PHE A 60 6.941 2.045 -4.317 1.00 0.00 H new ATOM 0 HA PHE A 60 6.777 1.457 -1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.146 2.708 -3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.709 1.161 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.362 2.397 -0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.682 0.338 -2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.817 1.976 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.140 -0.090 -1.006 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.708 0.733 1.265 1.00 0.00 H new ATOM 716 N TYR A 61 6.271 -1.111 -3.507 1.00 0.00 N ATOM 717 CA TYR A 61 6.243 -2.598 -3.474 1.00 0.00 C ATOM 718 C TYR A 61 7.446 -3.120 -2.697 1.00 0.00 C ATOM 719 O TYR A 61 7.443 -4.223 -2.190 1.00 0.00 O ATOM 720 CB TYR A 61 6.311 -3.023 -4.938 1.00 0.00 C ATOM 721 CG TYR A 61 5.215 -4.020 -5.218 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.261 -5.293 -4.639 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.151 -3.668 -6.054 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.240 -6.216 -4.898 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.131 -4.591 -6.315 1.00 0.00 C ATOM 726 CZ TYR A 61 3.175 -5.865 -5.736 1.00 0.00 C ATOM 727 OH TYR A 61 2.169 -6.774 -5.991 1.00 0.00 O ATOM 0 H TYR A 61 6.173 -0.693 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 61 5.354 -2.993 -2.982 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.202 -2.154 -5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.284 -3.464 -5.156 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.083 -5.564 -3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.116 -2.684 -6.498 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.274 -7.199 -4.451 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.310 -4.320 -6.963 1.00 0.00 H new ATOM 0 HH TYR A 61 2.062 -7.369 -5.219 1.00 0.00 H new ATOM 737 N PHE A 62 8.472 -2.328 -2.592 1.00 0.00 N ATOM 738 CA PHE A 62 9.674 -2.769 -1.838 1.00 0.00 C ATOM 739 C PHE A 62 9.430 -2.622 -0.334 1.00 0.00 C ATOM 740 O PHE A 62 9.601 -3.557 0.423 1.00 0.00 O ATOM 741 CB PHE A 62 10.796 -1.836 -2.296 1.00 0.00 C ATOM 742 CG PHE A 62 12.126 -2.539 -2.156 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.402 -3.675 -2.925 1.00 0.00 C ATOM 744 CD2 PHE A 62 13.081 -2.054 -1.255 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.634 -4.327 -2.793 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.314 -2.705 -1.123 1.00 0.00 C ATOM 747 CZ PHE A 62 14.590 -3.842 -1.893 1.00 0.00 C ATOM 0 H PHE A 62 8.531 -1.393 -2.996 1.00 0.00 H new ATOM 0 HA PHE A 62 9.919 -3.815 -2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.637 -1.540 -3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.791 -0.924 -1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.665 -4.049 -3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.867 -1.178 -0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.847 -5.204 -3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.051 -2.331 -0.428 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.541 -4.345 -1.792 1.00 0.00 H new ATOM 757 N LEU A 63 9.051 -1.452 0.114 1.00 0.00 N ATOM 758 CA LEU A 63 8.828 -1.270 1.584 1.00 0.00 C ATOM 759 C LEU A 63 7.736 -2.214 2.129 1.00 0.00 C ATOM 760 O LEU A 63 7.710 -2.496 3.310 1.00 0.00 O ATOM 761 CB LEU A 63 8.475 0.213 1.824 1.00 0.00 C ATOM 762 CG LEU A 63 7.354 0.711 0.903 1.00 0.00 C ATOM 763 CD1 LEU A 63 5.993 0.285 1.453 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.420 2.239 0.849 1.00 0.00 C ATOM 0 H LEU A 63 8.888 -0.626 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 63 9.735 -1.532 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.173 0.347 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.365 0.824 1.670 1.00 0.00 H new ATOM 0 HG LEU A 63 7.479 0.286 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.205 0.644 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.949 -0.802 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.853 0.709 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.630 2.615 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.287 2.645 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.390 2.548 0.458 1.00 0.00 H new ATOM 776 N ILE A 64 6.861 -2.744 1.306 1.00 0.00 N ATOM 777 CA ILE A 64 5.840 -3.701 1.859 1.00 0.00 C ATOM 778 C ILE A 64 6.403 -5.116 1.789 1.00 0.00 C ATOM 779 O ILE A 64 6.182 -5.930 2.661 1.00 0.00 O ATOM 780 CB ILE A 64 4.584 -3.630 0.983 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.357 -2.210 0.474 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.371 -4.077 1.809 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.939 -2.090 -0.089 1.00 0.00 C ATOM 0 H ILE A 64 6.806 -2.565 0.303 1.00 0.00 H new ATOM 0 HA ILE A 64 5.601 -3.443 2.891 1.00 0.00 H new ATOM 0 HB ILE A 64 4.717 -4.287 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.500 -1.495 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.088 -1.968 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.473 -4.029 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.522 -5.101 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.255 -3.419 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.777 -1.075 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.813 -2.795 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.216 -2.314 0.695 1.00 0.00 H new ATOM 795 N ARG A 65 7.120 -5.407 0.739 1.00 0.00 N ATOM 796 CA ARG A 65 7.706 -6.771 0.574 1.00 0.00 C ATOM 797 C ARG A 65 8.187 -7.321 1.920 1.00 0.00 C ATOM 798 O ARG A 65 7.714 -8.334 2.392 1.00 0.00 O ATOM 799 CB ARG A 65 8.885 -6.580 -0.380 1.00 0.00 C ATOM 800 CG ARG A 65 8.567 -7.236 -1.724 1.00 0.00 C ATOM 801 CD ARG A 65 9.335 -6.519 -2.837 1.00 0.00 C ATOM 802 NE ARG A 65 9.781 -7.603 -3.756 1.00 0.00 N ATOM 803 CZ ARG A 65 9.458 -7.560 -5.019 1.00 0.00 C ATOM 804 NH1 ARG A 65 8.232 -7.813 -5.388 1.00 0.00 N ATOM 805 NH2 ARG A 65 10.362 -7.268 -5.915 1.00 0.00 N ATOM 0 H ARG A 65 7.328 -4.755 -0.018 1.00 0.00 H new ATOM 0 HA ARG A 65 6.977 -7.485 0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.084 -5.518 -0.520 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.786 -7.020 0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.841 -8.291 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.496 -7.190 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.701 -5.799 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.185 -5.966 -2.437 1.00 0.00 H new ATOM 0 HE ARG A 65 10.339 -8.378 -3.398 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.526 -8.044 -4.689 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.979 -7.779 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.321 -7.073 -5.627 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.109 -7.234 -6.903 1.00 0.00 H new ATOM 817 N LYS A 66 9.125 -6.663 2.547 1.00 0.00 N ATOM 818 CA LYS A 66 9.624 -7.158 3.863 1.00 0.00 C ATOM 819 C LYS A 66 8.508 -7.083 4.901 1.00 0.00 C ATOM 820 O LYS A 66 8.439 -7.884 5.811 1.00 0.00 O ATOM 821 CB LYS A 66 10.775 -6.222 4.234 1.00 0.00 C ATOM 822 CG LYS A 66 12.074 -6.734 3.607 1.00 0.00 C ATOM 823 CD LYS A 66 12.340 -5.984 2.301 1.00 0.00 C ATOM 824 CE LYS A 66 13.823 -5.612 2.218 1.00 0.00 C ATOM 825 NZ LYS A 66 13.858 -4.134 2.398 1.00 0.00 N ATOM 0 H LYS A 66 9.566 -5.808 2.207 1.00 0.00 H new ATOM 0 HA LYS A 66 9.952 -8.197 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.563 -5.212 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.879 -6.168 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.905 -6.590 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.001 -7.805 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.062 -6.605 1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.726 -5.085 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.401 -6.118 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.250 -5.903 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.843 -3.802 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.305 -3.679 1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.451 -3.887 3.323 1.00 0.00 H new ATOM 839 N ARG A 67 7.625 -6.134 4.767 1.00 0.00 N ATOM 840 CA ARG A 67 6.504 -6.022 5.740 1.00 0.00 C ATOM 841 C ARG A 67 5.565 -7.221 5.579 1.00 0.00 C ATOM 842 O ARG A 67 4.767 -7.516 6.445 1.00 0.00 O ATOM 843 CB ARG A 67 5.786 -4.722 5.374 1.00 0.00 C ATOM 844 CG ARG A 67 6.689 -3.531 5.694 1.00 0.00 C ATOM 845 CD ARG A 67 6.656 -3.252 7.199 1.00 0.00 C ATOM 846 NE ARG A 67 7.685 -2.200 7.416 1.00 0.00 N ATOM 847 CZ ARG A 67 8.438 -2.233 8.481 1.00 0.00 C ATOM 848 NH1 ARG A 67 8.962 -3.363 8.873 1.00 0.00 N ATOM 849 NH2 ARG A 67 8.666 -1.139 9.153 1.00 0.00 N ATOM 0 H ARG A 67 7.631 -5.432 4.027 1.00 0.00 H new ATOM 0 HA ARG A 67 6.846 -6.013 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.529 -4.722 4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.851 -4.642 5.929 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.710 -3.740 5.375 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.356 -2.651 5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.670 -2.912 7.516 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.883 -4.151 7.772 1.00 0.00 H new ATOM 0 HE ARG A 67 7.802 -1.453 6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.782 -4.218 8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.551 -3.391 9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.256 -0.257 8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.255 -1.165 9.986 1.00 0.00 H new ATOM 861 N ILE A 68 5.661 -7.917 4.476 1.00 0.00 N ATOM 862 CA ILE A 68 4.780 -9.098 4.261 1.00 0.00 C ATOM 863 C ILE A 68 5.554 -10.378 4.582 1.00 0.00 C ATOM 864 O ILE A 68 5.141 -11.468 4.242 1.00 0.00 O ATOM 865 CB ILE A 68 4.393 -9.056 2.777 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.722 -7.713 2.421 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.416 -10.193 2.474 1.00 0.00 C ATOM 868 CD1 ILE A 68 3.012 -7.115 3.641 1.00 0.00 C ATOM 0 H ILE A 68 6.312 -7.717 3.716 1.00 0.00 H new ATOM 0 HA ILE A 68 3.898 -9.081 4.901 1.00 0.00 H new ATOM 0 HB ILE A 68 5.300 -9.166 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.472 -7.013 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.004 -7.863 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.140 -10.164 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.889 -11.149 2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.522 -10.077 3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.547 -6.169 3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.246 -7.807 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.737 -6.944 4.436 1.00 0.00 H new ATOM 880 N HIS A 69 6.677 -10.246 5.232 1.00 0.00 N ATOM 881 CA HIS A 69 7.485 -11.448 5.585 1.00 0.00 C ATOM 882 C HIS A 69 7.645 -12.361 4.373 1.00 0.00 C ATOM 883 O HIS A 69 7.713 -13.569 4.494 1.00 0.00 O ATOM 884 CB HIS A 69 6.695 -12.148 6.690 1.00 0.00 C ATOM 885 CG HIS A 69 7.641 -12.646 7.746 1.00 0.00 C ATOM 886 ND1 HIS A 69 8.989 -12.847 7.495 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.450 -12.989 9.062 1.00 0.00 C ATOM 888 CE1 HIS A 69 9.552 -13.291 8.633 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.659 -13.396 9.620 1.00 0.00 N ATOM 0 H HIS A 69 7.071 -9.355 5.535 1.00 0.00 H new ATOM 0 HA HIS A 69 8.491 -11.184 5.910 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.974 -11.458 7.129 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.127 -12.980 6.274 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.506 -12.949 9.585 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.599 -13.533 8.736 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.826 -13.707 10.577 1.00 0.00 H new ATOM 897 N LEU A 70 7.721 -11.794 3.205 1.00 0.00 N ATOM 898 CA LEU A 70 7.897 -12.632 1.985 1.00 0.00 C ATOM 899 C LEU A 70 9.283 -12.387 1.387 1.00 0.00 C ATOM 900 O LEU A 70 9.888 -11.356 1.604 1.00 0.00 O ATOM 901 CB LEU A 70 6.785 -12.207 1.017 1.00 0.00 C ATOM 902 CG LEU A 70 6.946 -10.734 0.616 1.00 0.00 C ATOM 903 CD1 LEU A 70 8.089 -10.594 -0.390 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.646 -10.245 -0.029 1.00 0.00 C ATOM 0 H LEU A 70 7.669 -10.789 3.040 1.00 0.00 H new ATOM 0 HA LEU A 70 7.829 -13.698 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.811 -12.836 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.812 -12.357 1.485 1.00 0.00 H new ATOM 0 HG LEU A 70 7.169 -10.140 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.200 -9.547 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.016 -10.948 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.867 -11.187 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.753 -9.199 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.431 -10.844 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.827 -10.343 0.683 1.00 0.00 H new ATOM 916 N ARG A 71 9.802 -13.330 0.650 1.00 0.00 N ATOM 917 CA ARG A 71 11.162 -13.143 0.062 1.00 0.00 C ATOM 918 C ARG A 71 11.435 -14.178 -1.033 1.00 0.00 C ATOM 919 O ARG A 71 10.571 -14.939 -1.418 1.00 0.00 O ATOM 920 CB ARG A 71 12.119 -13.349 1.240 1.00 0.00 C ATOM 921 CG ARG A 71 12.195 -14.842 1.590 1.00 0.00 C ATOM 922 CD ARG A 71 13.431 -15.099 2.456 1.00 0.00 C ATOM 923 NE ARG A 71 14.055 -16.321 1.879 1.00 0.00 N ATOM 924 CZ ARG A 71 14.351 -17.330 2.651 1.00 0.00 C ATOM 925 NH1 ARG A 71 14.907 -17.121 3.812 1.00 0.00 N ATOM 926 NH2 ARG A 71 14.090 -18.549 2.262 1.00 0.00 N ATOM 0 H ARG A 71 9.348 -14.217 0.430 1.00 0.00 H new ATOM 0 HA ARG A 71 11.274 -12.165 -0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.110 -12.974 0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.775 -12.780 2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.294 -15.148 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.245 -15.438 0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.117 -14.253 2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.157 -15.250 3.500 1.00 0.00 H new ATOM 0 HE ARG A 71 14.251 -16.369 0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.110 -16.169 4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.139 -17.910 4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.655 -18.712 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.322 -19.338 2.866 1.00 0.00 H new ATOM 938 N ALA A 72 12.648 -14.221 -1.518 1.00 0.00 N ATOM 939 CA ALA A 72 13.007 -15.211 -2.571 1.00 0.00 C ATOM 940 C ALA A 72 12.073 -15.089 -3.775 1.00 0.00 C ATOM 941 O ALA A 72 12.347 -14.368 -4.713 1.00 0.00 O ATOM 942 CB ALA A 72 12.846 -16.576 -1.901 1.00 0.00 C ATOM 0 H ALA A 72 13.409 -13.608 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 72 14.018 -15.055 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.093 -17.363 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.515 -16.641 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.815 -16.699 -1.568 1.00 0.00 H new ATOM 948 N GLU A 73 10.979 -15.800 -3.766 1.00 0.00 N ATOM 949 CA GLU A 73 10.044 -15.727 -4.923 1.00 0.00 C ATOM 950 C GLU A 73 8.591 -15.903 -4.468 1.00 0.00 C ATOM 951 O GLU A 73 7.768 -16.432 -5.189 1.00 0.00 O ATOM 952 CB GLU A 73 10.476 -16.881 -5.832 1.00 0.00 C ATOM 953 CG GLU A 73 9.889 -18.201 -5.321 1.00 0.00 C ATOM 954 CD GLU A 73 10.891 -19.331 -5.559 1.00 0.00 C ATOM 955 OE1 GLU A 73 11.777 -19.493 -4.736 1.00 0.00 O ATOM 956 OE2 GLU A 73 10.755 -20.017 -6.558 1.00 0.00 O ATOM 0 H GLU A 73 10.694 -16.425 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 73 10.084 -14.762 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.141 -16.696 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.564 -16.944 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.660 -18.122 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.952 -18.417 -5.834 1.00 0.00 H new ATOM 963 N ASP A 74 8.265 -15.462 -3.285 1.00 0.00 N ATOM 964 CA ASP A 74 6.863 -15.608 -2.805 1.00 0.00 C ATOM 965 C ASP A 74 5.902 -15.026 -3.832 1.00 0.00 C ATOM 966 O ASP A 74 6.292 -14.479 -4.845 1.00 0.00 O ATOM 967 CB ASP A 74 6.808 -14.836 -1.476 1.00 0.00 C ATOM 968 CG ASP A 74 5.461 -14.127 -1.287 1.00 0.00 C ATOM 969 OD1 ASP A 74 5.267 -13.092 -1.905 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.649 -14.631 -0.530 1.00 0.00 O ATOM 0 H ASP A 74 8.905 -15.009 -2.633 1.00 0.00 H new ATOM 0 HA ASP A 74 6.572 -16.649 -2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.976 -15.525 -0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.613 -14.102 -1.448 1.00 0.00 H new ATOM 975 N ALA A 75 4.648 -15.147 -3.559 1.00 0.00 N ATOM 976 CA ALA A 75 3.618 -14.611 -4.492 1.00 0.00 C ATOM 977 C ALA A 75 2.800 -13.520 -3.802 1.00 0.00 C ATOM 978 O ALA A 75 2.447 -13.631 -2.645 1.00 0.00 O ATOM 979 CB ALA A 75 2.732 -15.805 -4.838 1.00 0.00 C ATOM 0 H ALA A 75 4.279 -15.598 -2.722 1.00 0.00 H new ATOM 0 HA ALA A 75 4.061 -14.164 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.946 -15.488 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.335 -16.581 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.281 -16.199 -3.927 1.00 0.00 H new ATOM 985 N LEU A 76 2.498 -12.465 -4.503 1.00 0.00 N ATOM 986 CA LEU A 76 1.701 -11.367 -3.887 1.00 0.00 C ATOM 987 C LEU A 76 1.148 -10.439 -4.967 1.00 0.00 C ATOM 988 O LEU A 76 1.685 -10.332 -6.051 1.00 0.00 O ATOM 989 CB LEU A 76 2.685 -10.616 -2.993 1.00 0.00 C ATOM 990 CG LEU A 76 2.025 -9.345 -2.458 1.00 0.00 C ATOM 991 CD1 LEU A 76 0.966 -9.718 -1.419 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.086 -8.457 -1.805 1.00 0.00 C ATOM 0 H LEU A 76 2.768 -12.314 -5.475 1.00 0.00 H new ATOM 0 HA LEU A 76 0.846 -11.746 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.998 -11.252 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.583 -10.362 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 76 1.554 -8.807 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.495 -8.812 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.210 -10.352 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.437 -10.256 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.617 -7.550 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.556 -8.996 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.842 -8.191 -2.543 1.00 0.00 H new ATOM 1004 N PHE A 77 0.074 -9.764 -4.671 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.533 -8.836 -5.664 1.00 0.00 C ATOM 1006 C PHE A 77 -1.310 -7.737 -4.937 1.00 0.00 C ATOM 1007 O PHE A 77 -2.194 -8.012 -4.146 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.487 -9.702 -6.484 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.801 -10.984 -6.888 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.074 -11.044 -8.083 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.892 -12.115 -6.068 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.562 -12.234 -8.457 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.256 -13.306 -6.441 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.471 -13.365 -7.637 1.00 0.00 C ATOM 0 H PHE A 77 -0.413 -9.816 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 77 0.215 -8.349 -6.289 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.380 -9.926 -5.901 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.813 -9.159 -7.371 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.004 -10.172 -8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.453 -12.069 -5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.123 -12.279 -9.379 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.326 -14.178 -5.807 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.961 -14.283 -7.926 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.984 -6.495 -5.180 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.701 -5.394 -4.489 1.00 0.00 C ATOM 1026 C PHE A 78 -2.996 -5.019 -5.214 1.00 0.00 C ATOM 1027 O PHE A 78 -3.020 -4.809 -6.410 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.737 -4.223 -4.545 1.00 0.00 C ATOM 1029 CG PHE A 78 0.469 -4.489 -3.680 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.519 -5.589 -2.814 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.533 -3.604 -3.742 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.648 -5.791 -2.007 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.661 -3.800 -2.943 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.720 -4.891 -2.072 1.00 0.00 C ATOM 0 H PHE A 78 -0.253 -6.200 -5.827 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.984 -5.679 -3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.423 -4.052 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.239 -3.315 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.310 -6.280 -2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.490 -2.758 -4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.691 -6.637 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.488 -3.108 -2.998 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.590 -5.040 -1.450 1.00 0.00 H new ATOM 1044 N PHE A 79 -4.060 -4.895 -4.477 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.360 -4.489 -5.074 1.00 0.00 C ATOM 1046 C PHE A 79 -5.821 -3.196 -4.408 1.00 0.00 C ATOM 1047 O PHE A 79 -6.014 -3.138 -3.210 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.331 -5.612 -4.747 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.768 -6.934 -5.213 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -5.989 -7.363 -6.527 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -5.025 -7.729 -4.332 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -5.469 -8.589 -6.960 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.505 -8.955 -4.766 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.727 -9.385 -6.079 1.00 0.00 C ATOM 0 H PHE A 79 -4.085 -5.060 -3.471 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.292 -4.321 -6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.515 -5.644 -3.673 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.291 -5.426 -5.229 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.561 -6.748 -7.207 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.853 -7.397 -3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.640 -8.921 -7.973 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.932 -9.569 -4.087 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.326 -10.331 -6.413 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.987 -2.159 -5.166 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.425 -0.866 -4.565 1.00 0.00 C ATOM 1066 C VAL A 80 -7.744 -0.412 -5.192 1.00 0.00 C ATOM 1067 O VAL A 80 -7.875 -0.335 -6.397 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.305 0.133 -4.874 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.349 1.264 -3.847 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.941 -0.561 -4.793 1.00 0.00 C ATOM 0 H VAL A 80 -5.840 -2.144 -6.175 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.596 -0.953 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.446 0.529 -5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.555 1.980 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.315 1.767 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.209 0.853 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.153 0.159 -5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.795 -0.961 -3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.903 -1.375 -5.517 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.721 -0.109 -4.383 1.00 0.00 N ATOM 1081 CA ASN A 81 -10.031 0.338 -4.938 1.00 0.00 C ATOM 1082 C ASN A 81 -10.559 -0.704 -5.932 1.00 0.00 C ATOM 1083 O ASN A 81 -11.173 -0.372 -6.925 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.727 1.657 -5.652 1.00 0.00 C ATOM 1085 CG ASN A 81 -11.031 2.420 -5.894 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.716 2.787 -4.961 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -11.404 2.676 -7.119 1.00 0.00 N ATOM 0 H ASN A 81 -8.670 -0.151 -3.365 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.792 0.460 -4.167 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.047 2.260 -5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.226 1.462 -6.600 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.271 3.184 -7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.828 2.368 -7.902 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.321 -1.961 -5.668 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.807 -3.024 -6.597 1.00 0.00 C ATOM 1096 C ASN A 82 -10.118 -2.888 -7.958 1.00 0.00 C ATOM 1097 O ASN A 82 -10.689 -3.188 -8.988 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.310 -2.779 -6.728 1.00 0.00 C ATOM 1099 CG ASN A 82 -13.051 -4.118 -6.710 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -13.566 -4.527 -5.689 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.126 -4.823 -7.806 1.00 0.00 N ATOM 0 H ASN A 82 -9.812 -2.298 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.590 -4.027 -6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.659 -2.148 -5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.523 -2.246 -7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.617 -5.717 -7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.694 -4.480 -8.664 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.896 -2.433 -7.966 1.00 0.00 N ATOM 1109 CA VAL A 83 -8.165 -2.272 -9.258 1.00 0.00 C ATOM 1110 C VAL A 83 -6.733 -2.807 -9.117 1.00 0.00 C ATOM 1111 O VAL A 83 -6.286 -3.113 -8.030 1.00 0.00 O ATOM 1112 CB VAL A 83 -8.154 -0.761 -9.528 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.920 -0.505 -11.018 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.502 -0.152 -9.124 1.00 0.00 C ATOM 0 H VAL A 83 -8.370 -2.165 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.635 -2.823 -10.073 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.355 -0.303 -8.945 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.913 0.569 -11.206 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.962 -0.932 -11.314 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.718 -0.969 -11.597 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.489 0.921 -9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.299 -0.616 -9.704 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.677 -0.327 -8.062 1.00 0.00 H new ATOM 1124 N ILE A 84 -6.014 -2.906 -10.205 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.612 -3.419 -10.146 1.00 0.00 C ATOM 1126 C ILE A 84 -3.816 -2.866 -11.331 1.00 0.00 C ATOM 1127 O ILE A 84 -3.550 -3.569 -12.286 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.712 -4.946 -10.291 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.922 -5.499 -9.527 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.439 -5.590 -9.740 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.196 -5.286 -10.347 1.00 0.00 C ATOM 0 H ILE A 84 -6.340 -2.652 -11.138 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.119 -3.124 -9.220 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.833 -5.181 -11.348 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.782 -6.561 -9.326 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.013 -5.001 -8.562 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.506 -6.673 -9.841 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.576 -5.226 -10.298 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.326 -5.330 -8.687 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.052 -5.681 -9.799 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.340 -4.220 -10.526 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.105 -5.805 -11.301 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.464 -1.613 -11.227 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.692 -0.942 -12.301 1.00 0.00 C ATOM 1145 C PRO A 85 -1.237 -1.423 -12.302 1.00 0.00 C ATOM 1146 O PRO A 85 -0.775 -2.006 -11.341 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.773 0.536 -11.929 1.00 0.00 C ATOM 1148 CG PRO A 85 -3.009 0.554 -10.453 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.752 -0.712 -10.105 1.00 0.00 C ATOM 0 HA PRO A 85 -3.080 -1.150 -13.298 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.852 1.059 -12.187 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.582 1.033 -12.464 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.064 0.606 -9.913 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.589 1.432 -10.167 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.407 -1.130 -9.159 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.822 -0.531 -10.003 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.566 -1.154 -13.388 1.00 0.00 N ATOM 1158 CA PRO A 86 0.856 -1.554 -13.528 1.00 0.00 C ATOM 1159 C PRO A 86 1.745 -0.666 -12.655 1.00 0.00 C ATOM 1160 O PRO A 86 1.278 0.246 -12.004 1.00 0.00 O ATOM 1161 CB PRO A 86 1.144 -1.332 -15.011 1.00 0.00 C ATOM 1162 CG PRO A 86 0.157 -0.296 -15.446 1.00 0.00 C ATOM 1163 CD PRO A 86 -1.065 -0.456 -14.578 1.00 0.00 C ATOM 0 HA PRO A 86 1.050 -2.579 -13.213 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.168 -0.992 -15.168 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.024 -2.255 -15.579 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.577 0.704 -15.340 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.098 -0.425 -16.498 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.501 0.509 -14.321 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.841 -1.032 -15.083 1.00 0.00 H new ATOM 1171 N THR A 87 3.023 -0.927 -12.635 1.00 0.00 N ATOM 1172 CA THR A 87 3.937 -0.095 -11.797 1.00 0.00 C ATOM 1173 C THR A 87 4.424 1.124 -12.580 1.00 0.00 C ATOM 1174 O THR A 87 5.441 1.712 -12.268 1.00 0.00 O ATOM 1175 CB THR A 87 5.115 -1.000 -11.446 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.319 -1.948 -12.484 1.00 0.00 O ATOM 1177 CG2 THR A 87 4.831 -1.728 -10.132 1.00 0.00 C ATOM 0 H THR A 87 3.474 -1.677 -13.160 1.00 0.00 H new ATOM 0 HA THR A 87 3.432 0.277 -10.906 1.00 0.00 H new ATOM 0 HB THR A 87 6.013 -0.392 -11.334 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.077 -2.526 -12.255 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.674 -2.373 -9.884 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.686 -0.998 -9.336 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.930 -2.332 -10.238 1.00 0.00 H new ATOM 1185 N SER A 88 3.703 1.505 -13.586 1.00 0.00 N ATOM 1186 CA SER A 88 4.107 2.689 -14.397 1.00 0.00 C ATOM 1187 C SER A 88 3.489 3.957 -13.804 1.00 0.00 C ATOM 1188 O SER A 88 3.087 4.858 -14.514 1.00 0.00 O ATOM 1189 CB SER A 88 3.550 2.423 -15.796 1.00 0.00 C ATOM 1190 OG SER A 88 4.402 3.023 -16.763 1.00 0.00 O ATOM 0 H SER A 88 2.843 1.048 -13.889 1.00 0.00 H new ATOM 0 HA SER A 88 5.187 2.834 -14.414 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.478 1.350 -15.973 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.542 2.828 -15.882 1.00 0.00 H new ATOM 0 HG SER A 88 4.048 2.853 -17.661 1.00 0.00 H new ATOM 1196 N ALA A 89 3.404 4.027 -12.505 1.00 0.00 N ATOM 1197 CA ALA A 89 2.804 5.227 -11.854 1.00 0.00 C ATOM 1198 C ALA A 89 3.476 5.494 -10.512 1.00 0.00 C ATOM 1199 O ALA A 89 4.477 4.896 -10.168 1.00 0.00 O ATOM 1200 CB ALA A 89 1.333 4.866 -11.650 1.00 0.00 C ATOM 0 H ALA A 89 3.725 3.302 -11.863 1.00 0.00 H new ATOM 0 HA ALA A 89 2.928 6.128 -12.455 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.817 5.699 -11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.872 4.658 -12.616 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.260 3.983 -11.015 1.00 0.00 H new ATOM 1206 N THR A 90 2.924 6.390 -9.754 1.00 0.00 N ATOM 1207 CA THR A 90 3.512 6.712 -8.423 1.00 0.00 C ATOM 1208 C THR A 90 2.398 6.888 -7.390 1.00 0.00 C ATOM 1209 O THR A 90 1.310 7.335 -7.699 1.00 0.00 O ATOM 1210 CB THR A 90 4.276 8.026 -8.622 1.00 0.00 C ATOM 1211 OG1 THR A 90 3.370 9.052 -8.995 1.00 0.00 O ATOM 1212 CG2 THR A 90 5.327 7.847 -9.718 1.00 0.00 C ATOM 0 H THR A 90 2.086 6.919 -9.996 1.00 0.00 H new ATOM 0 HA THR A 90 4.166 5.920 -8.059 1.00 0.00 H new ATOM 0 HB THR A 90 4.769 8.301 -7.690 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.345 9.737 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.869 8.782 -9.858 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.026 7.062 -9.427 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.836 7.569 -10.651 1.00 0.00 H new ATOM 1220 N MET A 91 2.656 6.523 -6.166 1.00 0.00 N ATOM 1221 CA MET A 91 1.610 6.653 -5.116 1.00 0.00 C ATOM 1222 C MET A 91 0.956 8.034 -5.182 1.00 0.00 C ATOM 1223 O MET A 91 -0.252 8.161 -5.151 1.00 0.00 O ATOM 1224 CB MET A 91 2.349 6.467 -3.789 1.00 0.00 C ATOM 1225 CG MET A 91 2.841 5.023 -3.678 1.00 0.00 C ATOM 1226 SD MET A 91 1.910 4.167 -2.383 1.00 0.00 S ATOM 1227 CE MET A 91 1.253 2.834 -3.416 1.00 0.00 C ATOM 0 H MET A 91 3.546 6.140 -5.848 1.00 0.00 H new ATOM 0 HA MET A 91 0.811 5.922 -5.241 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.192 7.155 -3.730 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.687 6.702 -2.956 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.714 4.510 -4.631 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.906 5.007 -3.446 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.566 2.224 -2.830 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.723 3.261 -4.268 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.074 2.213 -3.774 1.00 0.00 H new ATOM 1237 N GLY A 92 1.743 9.068 -5.268 1.00 0.00 N ATOM 1238 CA GLY A 92 1.166 10.441 -5.332 1.00 0.00 C ATOM 1239 C GLY A 92 -0.038 10.462 -6.271 1.00 0.00 C ATOM 1240 O GLY A 92 -1.067 11.029 -5.962 1.00 0.00 O ATOM 0 H GLY A 92 2.762 9.023 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.865 10.764 -4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.921 11.145 -5.681 1.00 0.00 H new ATOM 1244 N GLN A 93 0.077 9.847 -7.412 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.078 9.840 -8.359 1.00 0.00 C ATOM 1246 C GLN A 93 -2.208 9.010 -7.766 1.00 0.00 C ATOM 1247 O GLN A 93 -3.369 9.351 -7.870 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.576 9.184 -9.649 1.00 0.00 C ATOM 1249 CG GLN A 93 0.824 9.686 -9.982 1.00 0.00 C ATOM 1250 CD GLN A 93 0.867 10.169 -11.433 1.00 0.00 C ATOM 1251 OE1 GLN A 93 0.216 9.609 -12.293 1.00 0.00 O ATOM 1252 NE2 GLN A 93 1.613 11.194 -11.744 1.00 0.00 N ATOM 0 H GLN A 93 0.910 9.352 -7.731 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.451 10.847 -8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.564 8.100 -9.534 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.257 9.410 -10.470 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.099 10.499 -9.310 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.552 8.889 -9.832 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.160 11.664 -11.023 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.649 11.524 -12.708 1.00 0.00 H new ATOM 1261 N LEU A 94 -1.872 7.917 -7.145 1.00 0.00 N ATOM 1262 CA LEU A 94 -2.926 7.057 -6.546 1.00 0.00 C ATOM 1263 C LEU A 94 -3.724 7.841 -5.505 1.00 0.00 C ATOM 1264 O LEU A 94 -4.854 7.526 -5.213 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.171 5.884 -5.915 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.102 6.019 -4.390 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.379 5.449 -3.774 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -0.892 5.245 -3.873 1.00 0.00 C ATOM 0 H LEU A 94 -0.916 7.582 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.651 6.710 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.665 4.948 -6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.162 5.837 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.006 7.069 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.333 5.543 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.241 5.999 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.475 4.397 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.837 5.337 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.990 4.194 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.017 5.651 -4.318 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.152 8.853 -4.928 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.917 9.610 -3.908 1.00 0.00 C ATOM 1282 C TYR A 95 -5.304 9.956 -4.464 1.00 0.00 C ATOM 1283 O TYR A 95 -6.314 9.619 -3.883 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.089 10.869 -3.641 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.138 11.190 -2.168 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.817 10.202 -1.232 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.507 12.469 -1.739 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.865 10.492 0.137 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.554 12.761 -0.370 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.233 11.772 0.568 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.281 12.059 1.917 1.00 0.00 O ATOM 0 H TYR A 95 -2.205 9.185 -5.113 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.077 9.046 -2.989 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.058 10.715 -3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.479 11.705 -4.221 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.532 9.215 -1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.756 13.231 -2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.618 9.729 0.860 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.838 13.749 -0.038 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.553 12.992 2.043 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.360 10.617 -5.587 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.681 10.976 -6.185 1.00 0.00 C ATOM 1303 C GLN A 96 -7.409 9.743 -6.753 1.00 0.00 C ATOM 1304 O GLN A 96 -8.593 9.787 -7.014 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.348 11.957 -7.309 1.00 0.00 C ATOM 1306 CG GLN A 96 -7.489 12.964 -7.461 1.00 0.00 C ATOM 1307 CD GLN A 96 -7.311 13.745 -8.764 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -7.108 13.164 -9.811 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -7.378 15.048 -8.742 1.00 0.00 N ATOM 0 H GLN A 96 -4.547 10.926 -6.119 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.350 11.400 -5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.416 12.478 -7.088 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.198 11.418 -8.244 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.448 12.445 -7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.499 13.649 -6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.549 15.535 -7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.260 15.579 -9.605 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.711 8.662 -6.991 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.374 7.467 -7.588 1.00 0.00 C ATOM 1320 C GLU A 97 -7.987 6.540 -6.525 1.00 0.00 C ATOM 1321 O GLU A 97 -9.176 6.289 -6.530 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.255 6.756 -8.345 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.704 5.348 -8.718 1.00 0.00 C ATOM 1324 CD GLU A 97 -6.548 5.144 -10.226 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -5.484 5.451 -10.739 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -7.494 4.684 -10.844 1.00 0.00 O ATOM 0 H GLU A 97 -5.715 8.557 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.209 7.754 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.997 7.316 -9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.357 6.711 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.110 4.611 -8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.743 5.197 -8.426 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.191 5.998 -5.641 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.737 5.061 -4.627 1.00 0.00 C ATOM 1335 C HIS A 98 -7.989 5.767 -3.291 1.00 0.00 C ATOM 1336 O HIS A 98 -7.778 5.207 -2.229 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.640 4.019 -4.486 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.438 3.330 -5.803 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.477 3.112 -6.695 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.321 2.808 -6.393 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -6.962 2.481 -7.767 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -5.650 2.271 -7.635 1.00 0.00 N ATOM 0 H HIS A 98 -6.187 6.166 -5.581 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.698 4.639 -4.920 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.712 4.492 -4.164 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -6.909 3.292 -3.720 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.331 2.811 -5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.540 2.181 -8.629 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.024 1.816 -8.300 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.460 6.980 -3.337 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.755 7.714 -2.069 1.00 0.00 C ATOM 1352 C HIS A 99 -9.999 7.100 -1.410 1.00 0.00 C ATOM 1353 O HIS A 99 -10.645 6.243 -1.978 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.998 9.178 -2.487 1.00 0.00 C ATOM 1355 CG HIS A 99 -9.887 9.248 -3.698 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -10.979 8.413 -3.880 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -9.853 10.064 -4.796 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -11.549 8.743 -5.054 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -10.901 9.745 -5.653 1.00 0.00 N ATOM 0 H HIS A 99 -8.654 7.497 -4.194 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.945 7.652 -1.343 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.455 9.725 -1.663 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.045 9.662 -2.701 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.122 10.839 -4.971 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -12.423 8.257 -5.461 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -11.126 10.182 -6.547 1.00 0.00 H new ATOM 1367 N GLU A 100 -10.342 7.512 -0.217 1.00 0.00 N ATOM 1368 CA GLU A 100 -11.549 6.922 0.442 1.00 0.00 C ATOM 1369 C GLU A 100 -12.229 7.953 1.347 1.00 0.00 C ATOM 1370 O GLU A 100 -11.599 8.855 1.863 1.00 0.00 O ATOM 1371 CB GLU A 100 -11.034 5.736 1.268 1.00 0.00 C ATOM 1372 CG GLU A 100 -11.221 4.442 0.472 1.00 0.00 C ATOM 1373 CD GLU A 100 -12.501 3.740 0.931 1.00 0.00 C ATOM 1374 OE1 GLU A 100 -13.545 4.371 0.891 1.00 0.00 O ATOM 1375 OE2 GLU A 100 -12.415 2.586 1.315 1.00 0.00 O ATOM 0 H GLU A 100 -9.848 8.221 0.324 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.292 6.608 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.981 5.878 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.573 5.676 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.277 4.663 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.362 3.786 0.617 1.00 0.00 H new ATOM 1382 N GLU A 101 -13.514 7.824 1.539 1.00 0.00 N ATOM 1383 CA GLU A 101 -14.245 8.792 2.407 1.00 0.00 C ATOM 1384 C GLU A 101 -13.518 8.957 3.744 1.00 0.00 C ATOM 1385 O GLU A 101 -13.783 8.252 4.698 1.00 0.00 O ATOM 1386 CB GLU A 101 -15.626 8.170 2.621 1.00 0.00 C ATOM 1387 CG GLU A 101 -16.440 8.279 1.331 1.00 0.00 C ATOM 1388 CD GLU A 101 -17.932 8.190 1.658 1.00 0.00 C ATOM 1389 OE1 GLU A 101 -18.252 7.880 2.793 1.00 0.00 O ATOM 1390 OE2 GLU A 101 -18.728 8.435 0.767 1.00 0.00 O ATOM 0 H GLU A 101 -14.091 7.088 1.131 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.310 9.782 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.525 7.125 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.144 8.679 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.223 9.222 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.160 7.481 0.643 1.00 0.00 H new ATOM 1397 N ASP A 102 -12.605 9.885 3.821 1.00 0.00 N ATOM 1398 CA ASP A 102 -11.861 10.098 5.094 1.00 0.00 C ATOM 1399 C ASP A 102 -10.700 11.070 4.869 1.00 0.00 C ATOM 1400 O ASP A 102 -10.796 12.244 5.163 1.00 0.00 O ATOM 1401 CB ASP A 102 -11.333 8.716 5.484 1.00 0.00 C ATOM 1402 CG ASP A 102 -12.014 8.254 6.772 1.00 0.00 C ATOM 1403 OD1 ASP A 102 -13.182 8.559 6.945 1.00 0.00 O ATOM 1404 OD2 ASP A 102 -11.355 7.602 7.565 1.00 0.00 O ATOM 0 H ASP A 102 -12.342 10.506 3.056 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.491 10.527 5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.525 8.002 4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.253 8.754 5.625 1.00 0.00 H new ATOM 1409 N PHE A 103 -9.605 10.586 4.348 1.00 0.00 N ATOM 1410 CA PHE A 103 -8.435 11.478 4.102 1.00 0.00 C ATOM 1411 C PHE A 103 -7.284 10.679 3.486 1.00 0.00 C ATOM 1412 O PHE A 103 -6.763 11.024 2.444 1.00 0.00 O ATOM 1413 CB PHE A 103 -8.044 12.005 5.484 1.00 0.00 C ATOM 1414 CG PHE A 103 -6.846 12.918 5.363 1.00 0.00 C ATOM 1415 CD1 PHE A 103 -6.597 13.594 4.161 1.00 0.00 C ATOM 1416 CD2 PHE A 103 -5.984 13.090 6.453 1.00 0.00 C ATOM 1417 CE1 PHE A 103 -5.487 14.440 4.050 1.00 0.00 C ATOM 1418 CE2 PHE A 103 -4.875 13.937 6.342 1.00 0.00 C ATOM 1419 CZ PHE A 103 -4.626 14.611 5.141 1.00 0.00 C ATOM 0 H PHE A 103 -9.470 9.611 4.082 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.668 12.286 3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.881 12.545 5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -7.813 11.173 6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.262 13.462 3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.175 12.569 7.380 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.295 14.960 3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -4.211 14.070 7.183 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.769 15.263 5.056 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.882 9.615 4.126 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.760 8.791 3.582 1.00 0.00 C ATOM 1431 C PHE A 104 -6.259 7.910 2.431 1.00 0.00 C ATOM 1432 O PHE A 104 -7.406 7.978 2.036 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.293 7.921 4.755 1.00 0.00 C ATOM 1434 CG PHE A 104 -5.248 8.747 6.020 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -4.613 9.994 6.018 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -5.839 8.265 7.193 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -4.569 10.760 7.189 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -5.795 9.030 8.365 1.00 0.00 C ATOM 1439 CZ PHE A 104 -5.159 10.277 8.363 1.00 0.00 C ATOM 0 H PHE A 104 -7.281 9.279 5.003 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.953 9.409 3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.970 7.077 4.885 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.306 7.509 4.544 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.157 10.366 5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.329 7.303 7.195 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.080 11.723 7.187 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.252 8.658 9.270 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.123 10.866 9.267 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.407 7.076 1.896 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.840 6.185 0.776 1.00 0.00 C ATOM 1451 C LEU A 105 -5.960 4.740 1.293 1.00 0.00 C ATOM 1452 O LEU A 105 -5.541 4.439 2.390 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.750 6.346 -0.306 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.758 5.178 -0.277 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.203 4.112 -1.281 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.365 5.685 -0.660 1.00 0.00 C ATOM 0 H LEU A 105 -4.434 6.972 2.183 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.818 6.439 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.217 6.405 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.216 7.283 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.728 4.749 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.500 3.279 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.197 3.753 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.230 4.543 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.658 4.856 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.396 6.111 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.048 6.449 0.050 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.542 3.847 0.533 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.683 2.444 1.032 1.00 0.00 C ATOM 1470 C TYR A 106 -6.009 1.438 0.088 1.00 0.00 C ATOM 1471 O TYR A 106 -6.230 1.449 -1.106 1.00 0.00 O ATOM 1472 CB TYR A 106 -8.190 2.198 1.077 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.672 2.287 2.505 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.230 3.327 3.330 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.563 1.329 3.003 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.677 3.410 4.654 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -10.011 1.411 4.327 1.00 0.00 C ATOM 1478 CZ TYR A 106 -9.568 2.452 5.153 1.00 0.00 C ATOM 1479 OH TYR A 106 -10.009 2.534 6.457 1.00 0.00 O ATOM 0 H TYR A 106 -6.921 4.024 -0.398 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.204 2.315 2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.708 2.933 0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.421 1.216 0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.543 4.066 2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.905 0.527 2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.335 4.213 5.290 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.698 0.672 4.711 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.623 1.793 6.642 1.00 0.00 H new ATOM 1489 N ILE A 107 -5.198 0.558 0.623 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.521 -0.460 -0.236 1.00 0.00 C ATOM 1491 C ILE A 107 -4.457 -1.810 0.487 1.00 0.00 C ATOM 1492 O ILE A 107 -3.973 -1.905 1.597 1.00 0.00 O ATOM 1493 CB ILE A 107 -3.108 0.073 -0.464 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.167 1.564 -0.788 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.465 -0.677 -1.633 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.789 2.038 -1.255 1.00 0.00 C ATOM 0 H ILE A 107 -4.976 0.502 1.617 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.057 -0.616 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.515 -0.077 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.910 1.750 -1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.478 2.127 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.456 -0.298 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.420 -1.741 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.060 -0.526 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.830 3.102 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.058 1.866 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.496 1.483 -2.147 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.920 -2.858 -0.139 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.861 -4.201 0.510 1.00 0.00 C ATOM 1510 C ALA A 108 -4.067 -5.148 -0.387 1.00 0.00 C ATOM 1511 O ALA A 108 -3.862 -4.868 -1.544 1.00 0.00 O ATOM 1512 CB ALA A 108 -6.316 -4.656 0.623 1.00 0.00 C ATOM 0 H ALA A 108 -5.336 -2.843 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.376 -4.182 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.354 -5.639 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.874 -3.943 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.758 -4.711 -0.372 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.617 -6.263 0.116 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.849 -7.190 -0.765 1.00 0.00 C ATOM 1520 C TYR A 109 -3.114 -8.645 -0.399 1.00 0.00 C ATOM 1521 O TYR A 109 -3.634 -8.955 0.657 1.00 0.00 O ATOM 1522 CB TYR A 109 -1.365 -6.848 -0.587 1.00 0.00 C ATOM 1523 CG TYR A 109 -1.030 -6.561 0.860 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -1.537 -5.418 1.486 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.186 -7.430 1.569 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -1.204 -5.143 2.816 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.141 -7.154 2.899 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.367 -6.010 3.522 1.00 0.00 C ATOM 1529 OH TYR A 109 -0.040 -5.737 4.833 1.00 0.00 O ATOM 0 H TYR A 109 -3.743 -6.570 1.080 1.00 0.00 H new ATOM 0 HA TYR A 109 -3.155 -7.069 -1.804 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.754 -7.677 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -1.115 -5.981 -1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -2.186 -4.747 0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.210 -8.311 1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.595 -4.259 3.298 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.787 -7.825 3.446 1.00 0.00 H new ATOM 0 HH TYR A 109 0.555 -4.959 4.867 1.00 0.00 H new ATOM 1539 N SER A 110 -2.766 -9.538 -1.279 1.00 0.00 N ATOM 1540 CA SER A 110 -2.997 -10.986 -1.008 1.00 0.00 C ATOM 1541 C SER A 110 -2.086 -11.848 -1.886 1.00 0.00 C ATOM 1542 O SER A 110 -1.262 -11.347 -2.624 1.00 0.00 O ATOM 1543 CB SER A 110 -4.461 -11.221 -1.374 1.00 0.00 C ATOM 1544 OG SER A 110 -4.969 -12.304 -0.605 1.00 0.00 O ATOM 0 H SER A 110 -2.330 -9.330 -2.177 1.00 0.00 H new ATOM 0 HA SER A 110 -2.780 -11.250 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.044 -10.320 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.551 -11.441 -2.438 1.00 0.00 H new ATOM 0 HG SER A 110 -5.634 -12.795 -1.131 1.00 0.00 H new ATOM 1550 N ASP A 111 -2.236 -13.142 -1.815 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.386 -14.041 -2.648 1.00 0.00 C ATOM 1552 C ASP A 111 -2.252 -15.118 -3.305 1.00 0.00 C ATOM 1553 O ASP A 111 -1.795 -16.204 -3.598 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.392 -14.670 -1.672 1.00 0.00 C ATOM 1555 CG ASP A 111 0.645 -15.478 -2.453 1.00 0.00 C ATOM 1556 OD1 ASP A 111 0.459 -15.645 -3.647 1.00 0.00 O ATOM 1557 OD2 ASP A 111 1.608 -15.916 -1.844 1.00 0.00 O ATOM 0 H ASP A 111 -2.911 -13.617 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.879 -13.505 -3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.101 -13.894 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.916 -15.315 -0.967 1.00 0.00 H new ATOM 1562 N GLU A 112 -3.503 -14.826 -3.538 1.00 0.00 N ATOM 1563 CA GLU A 112 -4.394 -15.841 -4.179 1.00 0.00 C ATOM 1564 C GLU A 112 -3.980 -16.059 -5.637 1.00 0.00 C ATOM 1565 O GLU A 112 -3.170 -15.331 -6.177 1.00 0.00 O ATOM 1566 CB GLU A 112 -5.817 -15.269 -4.105 1.00 0.00 C ATOM 1567 CG GLU A 112 -5.934 -14.029 -4.998 1.00 0.00 C ATOM 1568 CD GLU A 112 -5.659 -12.772 -4.170 1.00 0.00 C ATOM 1569 OE1 GLU A 112 -6.445 -12.491 -3.280 1.00 0.00 O ATOM 1570 OE2 GLU A 112 -4.669 -12.114 -4.440 1.00 0.00 O ATOM 0 H GLU A 112 -3.946 -13.935 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.330 -16.805 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.537 -16.024 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.059 -15.009 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.225 -14.095 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.931 -13.977 -5.437 1.00 0.00 H new ATOM 1577 N SER A 113 -4.528 -17.055 -6.276 1.00 0.00 N ATOM 1578 CA SER A 113 -4.165 -17.318 -7.698 1.00 0.00 C ATOM 1579 C SER A 113 -5.287 -18.094 -8.394 1.00 0.00 C ATOM 1580 O SER A 113 -5.046 -18.912 -9.260 1.00 0.00 O ATOM 1581 CB SER A 113 -2.892 -18.160 -7.631 1.00 0.00 C ATOM 1582 OG SER A 113 -2.716 -18.846 -8.864 1.00 0.00 O ATOM 0 H SER A 113 -5.211 -17.698 -5.876 1.00 0.00 H new ATOM 0 HA SER A 113 -4.016 -16.399 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.031 -17.523 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.958 -18.874 -6.810 1.00 0.00 H new ATOM 0 HG SER A 113 -3.508 -19.393 -9.050 1.00 0.00 H new ATOM 1588 N VAL A 114 -6.513 -17.843 -8.022 1.00 0.00 N ATOM 1589 CA VAL A 114 -7.650 -18.565 -8.663 1.00 0.00 C ATOM 1590 C VAL A 114 -8.455 -17.608 -9.546 1.00 0.00 C ATOM 1591 O VAL A 114 -8.245 -16.412 -9.533 1.00 0.00 O ATOM 1592 CB VAL A 114 -8.505 -19.070 -7.501 1.00 0.00 C ATOM 1593 CG1 VAL A 114 -9.232 -17.891 -6.852 1.00 0.00 C ATOM 1594 CG2 VAL A 114 -9.534 -20.076 -8.024 1.00 0.00 C ATOM 0 H VAL A 114 -6.777 -17.170 -7.303 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.312 -19.379 -9.304 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.865 -19.554 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.842 -18.251 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.501 -17.173 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -9.872 -17.407 -7.590 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -10.144 -20.436 -7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -10.174 -19.592 -8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -9.018 -20.917 -8.487 1.00 0.00 H new ATOM 1604 N TYR A 115 -9.375 -18.125 -10.313 1.00 0.00 N ATOM 1605 CA TYR A 115 -10.193 -17.244 -11.196 1.00 0.00 C ATOM 1606 C TYR A 115 -11.313 -16.581 -10.390 1.00 0.00 C ATOM 1607 O TYR A 115 -12.456 -16.991 -10.444 1.00 0.00 O ATOM 1608 CB TYR A 115 -10.775 -18.178 -12.257 1.00 0.00 C ATOM 1609 CG TYR A 115 -11.645 -17.386 -13.205 1.00 0.00 C ATOM 1610 CD1 TYR A 115 -11.249 -16.108 -13.616 1.00 0.00 C ATOM 1611 CD2 TYR A 115 -12.847 -17.930 -13.672 1.00 0.00 C ATOM 1612 CE1 TYR A 115 -12.054 -15.375 -14.495 1.00 0.00 C ATOM 1613 CE2 TYR A 115 -13.653 -17.198 -14.551 1.00 0.00 C ATOM 1614 CZ TYR A 115 -13.257 -15.919 -14.962 1.00 0.00 C ATOM 1615 OH TYR A 115 -14.051 -15.197 -15.830 1.00 0.00 O ATOM 0 H TYR A 115 -9.596 -19.119 -10.367 1.00 0.00 H new ATOM 0 HA TYR A 115 -9.604 -16.441 -11.639 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -9.971 -18.666 -12.807 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.360 -18.965 -11.782 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -10.322 -15.688 -13.255 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -13.153 -18.916 -13.354 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -11.748 -14.390 -14.813 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -14.580 -17.619 -14.912 1.00 0.00 H new ATOM 0 HH TYR A 115 -14.848 -15.720 -16.057 1.00 0.00 H new ATOM 1625 N GLY A 116 -10.995 -15.558 -9.644 1.00 0.00 N ATOM 1626 CA GLY A 116 -12.043 -14.870 -8.836 1.00 0.00 C ATOM 1627 C GLY A 116 -12.638 -13.717 -9.646 1.00 0.00 C ATOM 1628 O GLY A 116 -12.972 -13.866 -10.804 1.00 0.00 O ATOM 0 H GLY A 116 -10.056 -15.169 -9.559 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -12.826 -15.576 -8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.612 -14.493 -7.909 1.00 0.00 H new ATOM 1632 N LEU A 117 -12.775 -12.567 -9.044 1.00 0.00 N ATOM 1633 CA LEU A 117 -13.350 -11.404 -9.780 1.00 0.00 C ATOM 1634 C LEU A 117 -12.268 -10.722 -10.620 1.00 0.00 C ATOM 1635 O LEU A 117 -12.480 -10.566 -11.811 1.00 0.00 O ATOM 1636 CB LEU A 117 -13.858 -10.458 -8.691 1.00 0.00 C ATOM 1637 CG LEU A 117 -15.028 -11.111 -7.951 1.00 0.00 C ATOM 1638 CD1 LEU A 117 -14.904 -10.830 -6.453 1.00 0.00 C ATOM 1639 CD2 LEU A 117 -16.345 -10.531 -8.470 1.00 0.00 C ATOM 1640 OXT LEU A 117 -11.245 -10.366 -10.057 1.00 0.00 O ATOM 0 H LEU A 117 -12.514 -12.382 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 117 -14.144 -11.701 -10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -13.055 -10.228 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -14.176 -9.514 -9.134 1.00 0.00 H new ATOM 0 HG LEU A 117 -15.011 -12.187 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -15.737 -11.295 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -13.965 -11.241 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -14.922 -9.754 -6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -17.179 -10.995 -7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -16.361 -9.455 -8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -16.434 -10.729 -9.538 1.00 0.00 H new TER 1652 LEU A 117