USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.39) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0732 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 17 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-2.1) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -12.7! C(o=-13!,f=-14!) USER MOD Single : A 57 GLN : amide:sc= -1.31 K(o=-1.3,f=0.026) USER MOD Single : A 58 SER OG : rot 32:sc= 0.382 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0332 USER MOD Single : A 64 HIS : no HD1:sc= -9.42! C(o=-9.4!,f=-11!) USER MOD Single : A 72 THR OG1 : rot 95:sc= 0.803 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -143:sc= 0 (180deg=-0.489) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 120:sc=-0.000507 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0106 K(o=-0.011,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.486 13.032 -1.639 1.00 0.00 N ATOM 2 CA GLY A 1 -11.608 14.352 -2.230 1.00 0.00 C ATOM 3 C GLY A 1 -10.743 14.518 -3.463 1.00 0.00 C ATOM 4 O GLY A 1 -10.239 13.539 -4.012 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.421 12.705 -1.323 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.108 12.369 -2.345 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.841 13.075 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.650 14.533 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.331 15.104 -1.492 1.00 0.00 H new ATOM 8 N SER A 2 -10.571 15.761 -3.901 1.00 0.00 N ATOM 9 CA SER A 2 -9.765 16.052 -5.081 1.00 0.00 C ATOM 10 C SER A 2 -8.347 15.514 -4.916 1.00 0.00 C ATOM 11 O SER A 2 -7.500 16.148 -4.287 1.00 0.00 O ATOM 12 CB SER A 2 -9.724 17.560 -5.338 1.00 0.00 C ATOM 13 OG SER A 2 -11.009 18.055 -5.671 1.00 0.00 O ATOM 0 H SER A 2 -10.979 16.583 -3.456 1.00 0.00 H new ATOM 0 HA SER A 2 -10.226 15.558 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.352 18.073 -4.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.027 17.775 -6.148 1.00 0.00 H new ATOM 0 HG SER A 2 -10.957 19.021 -5.829 1.00 0.00 H new ATOM 19 N SER A 3 -8.097 14.340 -5.486 1.00 0.00 N ATOM 20 CA SER A 3 -6.783 13.713 -5.400 1.00 0.00 C ATOM 21 C SER A 3 -5.732 14.553 -6.119 1.00 0.00 C ATOM 22 O SER A 3 -4.718 14.931 -5.535 1.00 0.00 O ATOM 23 CB SER A 3 -6.826 12.306 -5.999 1.00 0.00 C ATOM 24 OG SER A 3 -7.522 11.410 -5.150 1.00 0.00 O ATOM 0 H SER A 3 -8.787 13.804 -6.012 1.00 0.00 H new ATOM 0 HA SER A 3 -6.509 13.644 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.311 12.338 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.810 11.945 -6.159 1.00 0.00 H new ATOM 0 HG SER A 3 -7.537 10.519 -5.557 1.00 0.00 H new ATOM 30 N GLY A 4 -5.984 14.841 -7.393 1.00 0.00 N ATOM 31 CA GLY A 4 -5.051 15.634 -8.172 1.00 0.00 C ATOM 32 C GLY A 4 -4.865 15.095 -9.577 1.00 0.00 C ATOM 33 O GLY A 4 -5.719 15.290 -10.442 1.00 0.00 O ATOM 0 H GLY A 4 -6.817 14.539 -7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.409 16.662 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.087 15.658 -7.664 1.00 0.00 H new ATOM 37 N SER A 5 -3.745 14.417 -9.806 1.00 0.00 N ATOM 38 CA SER A 5 -3.447 13.854 -11.117 1.00 0.00 C ATOM 39 C SER A 5 -4.054 12.461 -11.261 1.00 0.00 C ATOM 40 O SER A 5 -3.714 11.544 -10.514 1.00 0.00 O ATOM 41 CB SER A 5 -1.935 13.788 -11.336 1.00 0.00 C ATOM 42 OG SER A 5 -1.627 13.507 -12.691 1.00 0.00 O ATOM 0 H SER A 5 -3.029 14.244 -9.100 1.00 0.00 H new ATOM 0 HA SER A 5 -3.888 14.504 -11.872 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.481 14.735 -11.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.505 13.018 -10.695 1.00 0.00 H new ATOM 0 HG SER A 5 -0.654 13.472 -12.805 1.00 0.00 H new ATOM 48 N SER A 6 -4.955 12.312 -12.227 1.00 0.00 N ATOM 49 CA SER A 6 -5.613 11.033 -12.467 1.00 0.00 C ATOM 50 C SER A 6 -4.610 9.987 -12.945 1.00 0.00 C ATOM 51 O SER A 6 -3.535 10.323 -13.439 1.00 0.00 O ATOM 52 CB SER A 6 -6.729 11.196 -13.501 1.00 0.00 C ATOM 53 OG SER A 6 -6.201 11.536 -14.772 1.00 0.00 O ATOM 0 H SER A 6 -5.246 13.061 -12.856 1.00 0.00 H new ATOM 0 HA SER A 6 -6.046 10.693 -11.526 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.298 10.269 -13.576 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.423 11.970 -13.173 1.00 0.00 H new ATOM 0 HG SER A 6 -6.934 11.633 -15.415 1.00 0.00 H new ATOM 59 N GLY A 7 -4.971 8.717 -12.792 1.00 0.00 N ATOM 60 CA GLY A 7 -4.093 7.640 -13.212 1.00 0.00 C ATOM 61 C GLY A 7 -3.890 6.601 -12.128 1.00 0.00 C ATOM 62 O GLY A 7 -4.487 5.525 -12.169 1.00 0.00 O ATOM 0 H GLY A 7 -5.856 8.414 -12.385 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.510 7.160 -14.097 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.127 8.054 -13.499 1.00 0.00 H new ATOM 66 N VAL A 8 -3.044 6.921 -11.154 1.00 0.00 N ATOM 67 CA VAL A 8 -2.763 6.007 -10.054 1.00 0.00 C ATOM 68 C VAL A 8 -3.431 6.475 -8.766 1.00 0.00 C ATOM 69 O VAL A 8 -3.427 7.665 -8.448 1.00 0.00 O ATOM 70 CB VAL A 8 -1.248 5.867 -9.813 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.973 4.842 -8.723 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.536 5.490 -11.103 1.00 0.00 C ATOM 0 H VAL A 8 -2.541 7.807 -11.105 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.169 5.036 -10.338 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.860 6.829 -9.479 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.102 4.757 -8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.450 5.160 -7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.374 3.874 -9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.533 5.395 -10.914 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.925 4.540 -11.469 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.705 6.264 -11.852 1.00 0.00 H new ATOM 82 N THR A 9 -4.004 5.531 -8.025 1.00 0.00 N ATOM 83 CA THR A 9 -4.677 5.847 -6.772 1.00 0.00 C ATOM 84 C THR A 9 -3.683 5.919 -5.618 1.00 0.00 C ATOM 85 O THR A 9 -2.756 5.113 -5.531 1.00 0.00 O ATOM 86 CB THR A 9 -5.760 4.804 -6.437 1.00 0.00 C ATOM 87 OG1 THR A 9 -6.652 4.651 -7.547 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.546 5.218 -5.202 1.00 0.00 C ATOM 0 H THR A 9 -4.015 4.541 -8.272 1.00 0.00 H new ATOM 0 HA THR A 9 -5.149 6.821 -6.903 1.00 0.00 H new ATOM 0 HB THR A 9 -5.267 3.853 -6.233 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.337 3.985 -7.327 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.305 4.466 -4.985 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.869 5.306 -4.352 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.028 6.179 -5.383 1.00 0.00 H new ATOM 96 N THR A 10 -3.882 6.888 -4.730 1.00 0.00 N ATOM 97 CA THR A 10 -3.003 7.065 -3.581 1.00 0.00 C ATOM 98 C THR A 10 -3.796 7.072 -2.279 1.00 0.00 C ATOM 99 O THR A 10 -4.769 7.811 -2.137 1.00 0.00 O ATOM 100 CB THR A 10 -2.199 8.375 -3.686 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.439 8.388 -4.900 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.265 8.532 -2.495 1.00 0.00 C ATOM 0 H THR A 10 -4.645 7.563 -4.785 1.00 0.00 H new ATOM 0 HA THR A 10 -2.312 6.222 -3.578 1.00 0.00 H new ATOM 0 HB THR A 10 -2.902 9.208 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.932 9.225 -4.960 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.707 9.464 -2.590 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.849 8.551 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.569 7.694 -2.466 1.00 0.00 H new ATOM 110 N ALA A 11 -3.372 6.244 -1.330 1.00 0.00 N ATOM 111 CA ALA A 11 -4.041 6.157 -0.038 1.00 0.00 C ATOM 112 C ALA A 11 -3.082 6.490 1.100 1.00 0.00 C ATOM 113 O ALA A 11 -1.878 6.251 1.000 1.00 0.00 O ATOM 114 CB ALA A 11 -4.632 4.768 0.158 1.00 0.00 C ATOM 0 H ALA A 11 -2.568 5.624 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.848 6.889 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.129 4.717 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.356 4.566 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.836 4.025 0.119 1.00 0.00 H new ATOM 120 N ILE A 12 -3.623 7.044 2.180 1.00 0.00 N ATOM 121 CA ILE A 12 -2.815 7.409 3.337 1.00 0.00 C ATOM 122 C ILE A 12 -3.296 6.692 4.593 1.00 0.00 C ATOM 123 O ILE A 12 -4.488 6.697 4.905 1.00 0.00 O ATOM 124 CB ILE A 12 -2.843 8.929 3.585 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.231 9.673 2.396 1.00 0.00 C ATOM 126 CG2 ILE A 12 -2.101 9.270 4.869 1.00 0.00 C ATOM 127 CD1 ILE A 12 -2.546 11.153 2.383 1.00 0.00 C ATOM 0 H ILE A 12 -4.617 7.250 2.278 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.792 7.103 3.117 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.880 9.246 3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.149 9.540 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.594 9.224 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.130 10.348 5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.577 8.764 5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.064 8.943 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.081 11.616 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.626 11.295 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.159 11.615 3.291 1.00 0.00 H new ATOM 139 N ILE A 13 -2.363 6.076 5.311 1.00 0.00 N ATOM 140 CA ILE A 13 -2.692 5.357 6.535 1.00 0.00 C ATOM 141 C ILE A 13 -2.171 6.095 7.764 1.00 0.00 C ATOM 142 O ILE A 13 -1.141 6.767 7.707 1.00 0.00 O ATOM 143 CB ILE A 13 -2.111 3.930 6.523 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.425 3.240 5.195 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.662 3.124 7.690 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.905 3.169 4.886 1.00 0.00 C ATOM 0 H ILE A 13 -1.373 6.061 5.066 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.779 5.298 6.583 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.028 3.993 6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.919 3.772 4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.017 2.229 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.242 2.118 7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.391 3.610 8.628 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.748 3.066 7.612 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.053 2.667 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.414 2.611 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.315 4.178 4.834 1.00 0.00 H new ATOM 158 N HIS A 14 -2.890 5.965 8.875 1.00 0.00 N ATOM 159 CA HIS A 14 -2.499 6.618 10.119 1.00 0.00 C ATOM 160 C HIS A 14 -1.994 5.596 11.133 1.00 0.00 C ATOM 161 O HIS A 14 -2.783 4.911 11.785 1.00 0.00 O ATOM 162 CB HIS A 14 -3.679 7.394 10.704 1.00 0.00 C ATOM 163 CG HIS A 14 -3.804 8.787 10.168 1.00 0.00 C ATOM 164 ND1 HIS A 14 -3.739 9.084 8.822 1.00 0.00 N ATOM 165 CD2 HIS A 14 -3.993 9.967 10.803 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.882 10.386 8.654 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.038 10.946 9.841 1.00 0.00 N ATOM 0 H HIS A 14 -3.746 5.414 8.939 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.690 7.314 9.897 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.600 6.850 10.496 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.572 7.439 11.788 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.090 10.112 11.869 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.873 10.905 7.707 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.170 11.942 10.014 1.00 0.00 H new ATOM 175 N ARG A 15 -0.675 5.499 11.261 1.00 0.00 N ATOM 176 CA ARG A 15 -0.065 4.559 12.195 1.00 0.00 C ATOM 177 C ARG A 15 0.679 5.299 13.302 1.00 0.00 C ATOM 178 O ARG A 15 1.873 5.584 13.200 1.00 0.00 O ATOM 179 CB ARG A 15 0.896 3.625 11.456 1.00 0.00 C ATOM 180 CG ARG A 15 0.251 2.877 10.301 1.00 0.00 C ATOM 181 CD ARG A 15 1.288 2.409 9.292 1.00 0.00 C ATOM 182 NE ARG A 15 0.724 2.269 7.952 1.00 0.00 N ATOM 183 CZ ARG A 15 1.266 1.515 7.002 1.00 0.00 C ATOM 184 NH1 ARG A 15 2.378 0.835 7.244 1.00 0.00 N ATOM 185 NH2 ARG A 15 0.693 1.439 5.808 1.00 0.00 N ATOM 0 H ARG A 15 -0.008 6.059 10.730 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.860 3.967 12.648 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.736 4.208 11.077 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.303 2.903 12.163 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.299 2.018 10.685 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.473 3.524 9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.114 3.120 9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.701 1.453 9.613 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.133 2.778 7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.820 0.890 8.162 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.792 0.257 6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.164 1.959 5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.109 0.860 5.079 1.00 0.00 H new ATOM 199 N PRO A 16 -0.041 5.619 14.388 1.00 0.00 N ATOM 200 CA PRO A 16 0.530 6.330 15.535 1.00 0.00 C ATOM 201 C PRO A 16 1.512 5.468 16.321 1.00 0.00 C ATOM 202 O PRO A 16 2.470 5.976 16.906 1.00 0.00 O ATOM 203 CB PRO A 16 -0.694 6.662 16.392 1.00 0.00 C ATOM 204 CG PRO A 16 -1.702 5.626 16.030 1.00 0.00 C ATOM 205 CD PRO A 16 -1.468 5.311 14.578 1.00 0.00 C ATOM 0 HA PRO A 16 1.103 7.205 15.228 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.454 6.627 17.455 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.064 7.665 16.182 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.585 4.735 16.647 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.715 5.994 16.191 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.687 4.267 14.353 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.100 5.917 13.928 1.00 0.00 H new ATOM 213 N HIS A 17 1.270 4.161 16.330 1.00 0.00 N ATOM 214 CA HIS A 17 2.135 3.228 17.043 1.00 0.00 C ATOM 215 C HIS A 17 2.726 2.197 16.088 1.00 0.00 C ATOM 216 O HIS A 17 2.114 1.847 15.079 1.00 0.00 O ATOM 217 CB HIS A 17 1.354 2.523 18.153 1.00 0.00 C ATOM 218 CG HIS A 17 2.196 2.154 19.336 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.619 0.865 19.584 1.00 0.00 N ATOM 220 CD2 HIS A 17 2.694 2.912 20.339 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.341 0.847 20.691 1.00 0.00 C ATOM 222 NE2 HIS A 17 3.402 2.077 21.169 1.00 0.00 N ATOM 0 H HIS A 17 0.482 3.724 15.852 1.00 0.00 H new ATOM 0 HA HIS A 17 2.952 3.796 17.488 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.542 3.171 18.483 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.896 1.621 17.747 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.560 3.976 20.464 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.803 -0.025 21.130 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.894 2.361 22.016 1.00 0.00 H new ATOM 230 N ALA A 18 3.922 1.714 16.412 1.00 0.00 N ATOM 231 CA ALA A 18 4.595 0.722 15.583 1.00 0.00 C ATOM 232 C ALA A 18 4.207 -0.693 15.996 1.00 0.00 C ATOM 233 O ALA A 18 4.127 -1.594 15.160 1.00 0.00 O ATOM 234 CB ALA A 18 6.104 0.903 15.664 1.00 0.00 C ATOM 0 H ALA A 18 4.444 1.994 17.242 1.00 0.00 H new ATOM 0 HA ALA A 18 4.277 0.871 14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.594 0.156 15.040 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.370 1.900 15.313 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.430 0.783 16.697 1.00 0.00 H new ATOM 240 N ARG A 19 3.968 -0.883 17.289 1.00 0.00 N ATOM 241 CA ARG A 19 3.590 -2.190 17.813 1.00 0.00 C ATOM 242 C ARG A 19 2.090 -2.423 17.662 1.00 0.00 C ATOM 243 O ARG A 19 1.481 -3.142 18.454 1.00 0.00 O ATOM 244 CB ARG A 19 3.990 -2.308 19.285 1.00 0.00 C ATOM 245 CG ARG A 19 5.488 -2.198 19.519 1.00 0.00 C ATOM 246 CD ARG A 19 5.825 -2.256 21.001 1.00 0.00 C ATOM 247 NE ARG A 19 7.198 -2.696 21.233 1.00 0.00 N ATOM 248 CZ ARG A 19 7.779 -2.694 22.428 1.00 0.00 C ATOM 249 NH1 ARG A 19 7.109 -2.276 23.493 1.00 0.00 N ATOM 250 NH2 ARG A 19 9.032 -3.110 22.559 1.00 0.00 N ATOM 0 H ARG A 19 4.029 -0.148 17.994 1.00 0.00 H new ATOM 0 HA ARG A 19 4.118 -2.951 17.238 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.484 -1.528 19.854 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.639 -3.264 19.673 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.000 -3.006 18.996 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.856 -1.263 19.097 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.680 -1.271 21.445 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.137 -2.936 21.503 1.00 0.00 H new ATOM 0 HE ARG A 19 7.741 -3.023 20.434 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.146 -1.955 23.396 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.557 -2.275 24.409 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.551 -3.432 21.742 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.477 -3.108 23.477 1.00 0.00 H new ATOM 264 N GLU A 20 1.500 -1.809 16.641 1.00 0.00 N ATOM 265 CA GLU A 20 0.071 -1.949 16.388 1.00 0.00 C ATOM 266 C GLU A 20 -0.182 -2.526 14.998 1.00 0.00 C ATOM 267 O GLU A 20 0.402 -2.075 14.013 1.00 0.00 O ATOM 268 CB GLU A 20 -0.629 -0.595 16.526 1.00 0.00 C ATOM 269 CG GLU A 20 -0.737 -0.109 17.962 1.00 0.00 C ATOM 270 CD GLU A 20 -1.763 -0.884 18.765 1.00 0.00 C ATOM 271 OE1 GLU A 20 -1.408 -1.951 19.309 1.00 0.00 O ATOM 272 OE2 GLU A 20 -2.921 -0.425 18.849 1.00 0.00 O ATOM 0 H GLU A 20 1.990 -1.210 15.976 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.337 -2.638 17.128 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.086 0.147 15.940 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.630 -0.668 16.100 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.237 -0.195 18.445 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.002 0.948 17.965 1.00 0.00 H new ATOM 279 N GLN A 21 -1.056 -3.524 14.928 1.00 0.00 N ATOM 280 CA GLN A 21 -1.385 -4.163 13.660 1.00 0.00 C ATOM 281 C GLN A 21 -1.599 -3.123 12.565 1.00 0.00 C ATOM 282 O GLN A 21 -1.696 -1.927 12.842 1.00 0.00 O ATOM 283 CB GLN A 21 -2.639 -5.027 13.810 1.00 0.00 C ATOM 284 CG GLN A 21 -2.440 -6.237 14.708 1.00 0.00 C ATOM 285 CD GLN A 21 -3.751 -6.854 15.155 1.00 0.00 C ATOM 286 OE1 GLN A 21 -4.641 -6.160 15.646 1.00 0.00 O ATOM 287 NE2 GLN A 21 -3.876 -8.165 14.986 1.00 0.00 N ATOM 0 H GLN A 21 -1.549 -3.908 15.734 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.546 -4.798 13.374 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.446 -4.415 14.213 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.957 -5.365 12.824 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.853 -6.986 14.177 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.863 -5.943 15.585 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.112 -8.701 14.575 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.736 -8.636 15.268 1.00 0.00 H new ATOM 296 N LEU A 22 -1.669 -3.585 11.322 1.00 0.00 N ATOM 297 CA LEU A 22 -1.870 -2.694 10.185 1.00 0.00 C ATOM 298 C LEU A 22 -3.315 -2.749 9.699 1.00 0.00 C ATOM 299 O LEU A 22 -3.933 -1.717 9.441 1.00 0.00 O ATOM 300 CB LEU A 22 -0.923 -3.070 9.044 1.00 0.00 C ATOM 301 CG LEU A 22 0.519 -2.580 9.180 1.00 0.00 C ATOM 302 CD1 LEU A 22 1.294 -2.835 7.897 1.00 0.00 C ATOM 303 CD2 LEU A 22 0.548 -1.101 9.538 1.00 0.00 C ATOM 0 H LEU A 22 -1.590 -4.572 11.076 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.653 -1.676 10.510 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.910 -4.156 8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.333 -2.677 8.114 1.00 0.00 H new ATOM 0 HG LEU A 22 0.997 -3.138 9.985 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.318 -2.479 8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.303 -3.904 7.684 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.817 -2.305 7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.582 -0.769 9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.052 -0.527 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.031 -0.946 10.485 1.00 0.00 H new ATOM 315 N GLY A 23 -3.849 -3.961 9.580 1.00 0.00 N ATOM 316 CA GLY A 23 -5.218 -4.127 9.128 1.00 0.00 C ATOM 317 C GLY A 23 -5.301 -4.703 7.728 1.00 0.00 C ATOM 318 O GLY A 23 -6.040 -5.657 7.485 1.00 0.00 O ATOM 0 H GLY A 23 -3.358 -4.830 9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.749 -4.782 9.819 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.724 -3.162 9.151 1.00 0.00 H new ATOM 322 N PHE A 24 -4.542 -4.122 6.805 1.00 0.00 N ATOM 323 CA PHE A 24 -4.534 -4.582 5.421 1.00 0.00 C ATOM 324 C PHE A 24 -3.500 -5.685 5.220 1.00 0.00 C ATOM 325 O PHE A 24 -2.306 -5.480 5.444 1.00 0.00 O ATOM 326 CB PHE A 24 -4.242 -3.415 4.476 1.00 0.00 C ATOM 327 CG PHE A 24 -2.935 -2.730 4.755 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.852 -1.729 5.709 1.00 0.00 C ATOM 329 CD2 PHE A 24 -1.789 -3.087 4.063 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.651 -1.097 5.967 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.585 -2.458 4.317 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.515 -1.462 5.271 1.00 0.00 C ATOM 0 H PHE A 24 -3.924 -3.332 6.990 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.520 -4.987 5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.239 -3.781 3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.049 -2.686 4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.736 -1.439 6.257 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.837 -3.866 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.600 -0.318 6.713 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.301 -2.745 3.770 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.425 -0.970 5.472 1.00 0.00 H new ATOM 342 N CYS A 25 -3.966 -6.855 4.799 1.00 0.00 N ATOM 343 CA CYS A 25 -3.082 -7.993 4.569 1.00 0.00 C ATOM 344 C CYS A 25 -2.443 -7.914 3.186 1.00 0.00 C ATOM 345 O CYS A 25 -3.136 -7.926 2.168 1.00 0.00 O ATOM 346 CB CYS A 25 -3.856 -9.304 4.712 1.00 0.00 C ATOM 347 SG CYS A 25 -2.829 -10.722 5.163 1.00 0.00 S ATOM 0 H CYS A 25 -4.951 -7.041 4.610 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.290 -7.964 5.318 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.631 -9.175 5.468 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.361 -9.520 3.771 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.574 -11.783 5.262 1.00 0.00 H new ATOM 353 N VAL A 26 -1.117 -7.830 3.157 1.00 0.00 N ATOM 354 CA VAL A 26 -0.384 -7.748 1.899 1.00 0.00 C ATOM 355 C VAL A 26 0.353 -9.051 1.607 1.00 0.00 C ATOM 356 O VAL A 26 0.829 -9.724 2.520 1.00 0.00 O ATOM 357 CB VAL A 26 0.631 -6.590 1.915 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.500 -6.623 0.667 1.00 0.00 C ATOM 359 CG2 VAL A 26 -0.088 -5.255 2.040 1.00 0.00 C ATOM 0 H VAL A 26 -0.528 -7.817 3.990 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.119 -7.566 1.115 1.00 0.00 H new ATOM 0 HB VAL A 26 1.280 -6.710 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.211 -5.797 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.043 -7.567 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.870 -6.528 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.644 -4.447 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.762 -5.124 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.662 -5.236 2.967 1.00 0.00 H new ATOM 369 N GLU A 27 0.444 -9.398 0.327 1.00 0.00 N ATOM 370 CA GLU A 27 1.124 -10.621 -0.085 1.00 0.00 C ATOM 371 C GLU A 27 1.882 -10.408 -1.392 1.00 0.00 C ATOM 372 O GLU A 27 1.287 -10.101 -2.425 1.00 0.00 O ATOM 373 CB GLU A 27 0.116 -11.761 -0.248 1.00 0.00 C ATOM 374 CG GLU A 27 -0.555 -12.170 1.052 1.00 0.00 C ATOM 375 CD GLU A 27 0.230 -13.224 1.808 1.00 0.00 C ATOM 376 OE1 GLU A 27 0.060 -14.423 1.505 1.00 0.00 O ATOM 377 OE2 GLU A 27 1.016 -12.848 2.704 1.00 0.00 O ATOM 0 H GLU A 27 0.056 -8.851 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 27 1.841 -10.887 0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.649 -11.459 -0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.625 -12.627 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.679 -11.291 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.553 -12.551 0.837 1.00 0.00 H new ATOM 384 N ASP A 28 3.199 -10.572 -1.338 1.00 0.00 N ATOM 385 CA ASP A 28 4.040 -10.399 -2.517 1.00 0.00 C ATOM 386 C ASP A 28 3.864 -9.004 -3.110 1.00 0.00 C ATOM 387 O ASP A 28 4.062 -8.798 -4.306 1.00 0.00 O ATOM 388 CB ASP A 28 3.708 -11.459 -3.568 1.00 0.00 C ATOM 389 CG ASP A 28 4.450 -12.760 -3.332 1.00 0.00 C ATOM 390 OD1 ASP A 28 4.616 -13.145 -2.155 1.00 0.00 O ATOM 391 OD2 ASP A 28 4.864 -13.394 -4.325 1.00 0.00 O ATOM 0 H ASP A 28 3.708 -10.824 -0.491 1.00 0.00 H new ATOM 0 HA ASP A 28 5.080 -10.516 -2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.635 -11.650 -3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.957 -11.076 -4.558 1.00 0.00 H new ATOM 396 N GLY A 29 3.488 -8.050 -2.264 1.00 0.00 N ATOM 397 CA GLY A 29 3.289 -6.688 -2.723 1.00 0.00 C ATOM 398 C GLY A 29 1.895 -6.458 -3.272 1.00 0.00 C ATOM 399 O GLY A 29 1.672 -5.529 -4.049 1.00 0.00 O ATOM 0 H GLY A 29 3.318 -8.196 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.469 -6.000 -1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.023 -6.458 -3.495 1.00 0.00 H new ATOM 403 N ILE A 30 0.955 -7.307 -2.870 1.00 0.00 N ATOM 404 CA ILE A 30 -0.424 -7.192 -3.327 1.00 0.00 C ATOM 405 C ILE A 30 -1.404 -7.496 -2.200 1.00 0.00 C ATOM 406 O ILE A 30 -1.389 -8.586 -1.627 1.00 0.00 O ATOM 407 CB ILE A 30 -0.706 -8.141 -4.507 1.00 0.00 C ATOM 408 CG1 ILE A 30 0.021 -7.657 -5.764 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.203 -8.241 -4.760 1.00 0.00 C ATOM 410 CD1 ILE A 30 0.119 -8.709 -6.847 1.00 0.00 C ATOM 0 H ILE A 30 1.124 -8.082 -2.229 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.562 -6.162 -3.657 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.333 -9.133 -4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.498 -6.785 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.025 -7.333 -5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.386 -8.915 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.698 -8.626 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.599 -7.253 -4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.646 -8.297 -7.708 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.665 -9.573 -6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.883 -9.016 -7.148 1.00 0.00 H new ATOM 422 N ILE A 31 -2.256 -6.525 -1.887 1.00 0.00 N ATOM 423 CA ILE A 31 -3.246 -6.690 -0.830 1.00 0.00 C ATOM 424 C ILE A 31 -4.300 -7.722 -1.219 1.00 0.00 C ATOM 425 O ILE A 31 -4.736 -7.774 -2.369 1.00 0.00 O ATOM 426 CB ILE A 31 -3.946 -5.358 -0.501 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.910 -4.254 -0.276 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.835 -5.514 0.723 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.435 -2.865 -0.562 1.00 0.00 C ATOM 0 H ILE A 31 -2.280 -5.617 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.709 -7.037 0.053 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.573 -5.076 -1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.564 -4.297 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.045 -4.444 -0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.322 -4.564 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.592 -6.274 0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.229 -5.816 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.647 -2.134 -0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.755 -2.804 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.282 -2.655 0.091 1.00 0.00 H new ATOM 441 N CYS A 32 -4.704 -8.538 -0.253 1.00 0.00 N ATOM 442 CA CYS A 32 -5.708 -9.569 -0.494 1.00 0.00 C ATOM 443 C CYS A 32 -6.930 -9.356 0.394 1.00 0.00 C ATOM 444 O CYS A 32 -8.068 -9.486 -0.057 1.00 0.00 O ATOM 445 CB CYS A 32 -5.116 -10.956 -0.242 1.00 0.00 C ATOM 446 SG CYS A 32 -5.851 -12.267 -1.247 1.00 0.00 S ATOM 0 H CYS A 32 -4.353 -8.507 0.704 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.021 -9.499 -1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.044 -10.922 -0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.242 -11.207 0.811 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.283 -13.401 -0.963 1.00 0.00 H new ATOM 452 N SER A 33 -6.686 -9.029 1.659 1.00 0.00 N ATOM 453 CA SER A 33 -7.766 -8.804 2.612 1.00 0.00 C ATOM 454 C SER A 33 -7.544 -7.510 3.389 1.00 0.00 C ATOM 455 O SER A 33 -6.415 -7.031 3.512 1.00 0.00 O ATOM 456 CB SER A 33 -7.874 -9.982 3.582 1.00 0.00 C ATOM 457 OG SER A 33 -9.137 -10.000 4.225 1.00 0.00 O ATOM 0 H SER A 33 -5.750 -8.914 2.047 1.00 0.00 H new ATOM 0 HA SER A 33 -8.698 -8.717 2.053 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.724 -10.917 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.083 -9.915 4.329 1.00 0.00 H new ATOM 0 HG SER A 33 -9.181 -10.763 4.838 1.00 0.00 H new ATOM 463 N LEU A 34 -8.628 -6.947 3.913 1.00 0.00 N ATOM 464 CA LEU A 34 -8.553 -5.708 4.678 1.00 0.00 C ATOM 465 C LEU A 34 -9.303 -5.839 6.000 1.00 0.00 C ATOM 466 O LEU A 34 -10.414 -6.368 6.046 1.00 0.00 O ATOM 467 CB LEU A 34 -9.128 -4.547 3.865 1.00 0.00 C ATOM 468 CG LEU A 34 -8.531 -3.168 4.148 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.854 -2.204 3.018 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.043 -2.628 5.475 1.00 0.00 C ATOM 0 H LEU A 34 -9.569 -7.330 3.822 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.504 -5.506 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.993 -4.769 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.202 -4.500 4.046 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.448 -3.269 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.421 -1.228 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.438 -2.584 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.935 -2.107 2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.608 -1.646 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.129 -2.543 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.759 -3.308 6.278 1.00 0.00 H new ATOM 482 N LEU A 35 -8.690 -5.351 7.073 1.00 0.00 N ATOM 483 CA LEU A 35 -9.301 -5.411 8.396 1.00 0.00 C ATOM 484 C LEU A 35 -10.531 -4.512 8.470 1.00 0.00 C ATOM 485 O LEU A 35 -10.419 -3.286 8.446 1.00 0.00 O ATOM 486 CB LEU A 35 -8.288 -4.997 9.466 1.00 0.00 C ATOM 487 CG LEU A 35 -8.835 -4.851 10.887 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.745 -6.173 11.632 1.00 0.00 C ATOM 489 CD2 LEU A 35 -8.083 -3.761 11.638 1.00 0.00 C ATOM 0 H LEU A 35 -7.771 -4.910 7.053 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.614 -6.439 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.484 -5.733 9.481 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.844 -4.047 9.169 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.885 -4.564 10.824 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.139 -6.050 12.641 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.328 -6.928 11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.704 -6.490 11.685 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.485 -3.671 12.647 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.025 -4.019 11.691 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.199 -2.812 11.115 1.00 0.00 H new ATOM 501 N ARG A 36 -11.704 -5.130 8.560 1.00 0.00 N ATOM 502 CA ARG A 36 -12.955 -4.386 8.638 1.00 0.00 C ATOM 503 C ARG A 36 -13.043 -3.605 9.947 1.00 0.00 C ATOM 504 O ARG A 36 -13.129 -4.190 11.026 1.00 0.00 O ATOM 505 CB ARG A 36 -14.147 -5.337 8.519 1.00 0.00 C ATOM 506 CG ARG A 36 -15.486 -4.626 8.414 1.00 0.00 C ATOM 507 CD ARG A 36 -15.844 -4.321 6.968 1.00 0.00 C ATOM 508 NE ARG A 36 -16.546 -5.433 6.331 1.00 0.00 N ATOM 509 CZ ARG A 36 -17.096 -5.360 5.125 1.00 0.00 C ATOM 510 NH1 ARG A 36 -17.026 -4.235 4.427 1.00 0.00 N ATOM 511 NH2 ARG A 36 -17.718 -6.415 4.613 1.00 0.00 N ATOM 0 H ARG A 36 -11.814 -6.144 8.581 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.979 -3.678 7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.011 -5.968 7.641 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.163 -5.997 9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.264 -5.246 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.452 -3.698 8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.469 -3.429 6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.935 -4.098 6.409 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.617 -6.314 6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.548 -3.422 4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.450 -4.182 3.501 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.774 -7.283 5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.140 -6.358 3.686 1.00 0.00 H new ATOM 525 N GLY A 37 -13.021 -2.280 9.842 1.00 0.00 N ATOM 526 CA GLY A 37 -13.098 -1.441 11.024 1.00 0.00 C ATOM 527 C GLY A 37 -11.732 -1.103 11.585 1.00 0.00 C ATOM 528 O GLY A 37 -11.526 -1.131 12.797 1.00 0.00 O ATOM 0 H GLY A 37 -12.951 -1.773 8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.624 -0.519 10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.686 -1.949 11.789 1.00 0.00 H new ATOM 532 N GLY A 38 -10.793 -0.782 10.699 1.00 0.00 N ATOM 533 CA GLY A 38 -9.450 -0.443 11.132 1.00 0.00 C ATOM 534 C GLY A 38 -9.019 0.932 10.662 1.00 0.00 C ATOM 535 O GLY A 38 -9.824 1.862 10.622 1.00 0.00 O ATOM 0 H GLY A 38 -10.939 -0.751 9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.401 -0.483 12.220 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.751 -1.189 10.754 1.00 0.00 H new ATOM 539 N ILE A 39 -7.745 1.061 10.307 1.00 0.00 N ATOM 540 CA ILE A 39 -7.209 2.333 9.838 1.00 0.00 C ATOM 541 C ILE A 39 -7.148 2.376 8.314 1.00 0.00 C ATOM 542 O ILE A 39 -7.486 3.386 7.698 1.00 0.00 O ATOM 543 CB ILE A 39 -5.800 2.593 10.404 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.722 2.139 11.863 1.00 0.00 C ATOM 545 CG2 ILE A 39 -5.445 4.068 10.282 1.00 0.00 C ATOM 546 CD1 ILE A 39 -4.320 2.172 12.431 1.00 0.00 C ATOM 0 H ILE A 39 -7.065 0.301 10.335 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.885 3.111 10.194 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.079 2.017 9.825 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.366 2.777 12.469 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.113 1.125 11.941 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.447 4.237 10.686 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.466 4.362 9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.168 4.663 10.840 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.340 1.838 13.468 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.676 1.512 11.849 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.933 3.190 12.385 1.00 0.00 H new ATOM 558 N ALA A 40 -6.716 1.272 7.714 1.00 0.00 N ATOM 559 CA ALA A 40 -6.615 1.182 6.262 1.00 0.00 C ATOM 560 C ALA A 40 -7.915 1.615 5.593 1.00 0.00 C ATOM 561 O ALA A 40 -7.930 2.551 4.795 1.00 0.00 O ATOM 562 CB ALA A 40 -6.251 -0.236 5.846 1.00 0.00 C ATOM 0 H ALA A 40 -6.430 0.428 8.210 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.826 1.859 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.179 -0.289 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.293 -0.510 6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.020 -0.926 6.193 1.00 0.00 H new ATOM 568 N GLU A 41 -9.003 0.927 5.924 1.00 0.00 N ATOM 569 CA GLU A 41 -10.307 1.241 5.353 1.00 0.00 C ATOM 570 C GLU A 41 -10.538 2.749 5.319 1.00 0.00 C ATOM 571 O GLU A 41 -11.090 3.282 4.357 1.00 0.00 O ATOM 572 CB GLU A 41 -11.418 0.562 6.157 1.00 0.00 C ATOM 573 CG GLU A 41 -12.699 0.351 5.368 1.00 0.00 C ATOM 574 CD GLU A 41 -13.533 1.613 5.260 1.00 0.00 C ATOM 575 OE1 GLU A 41 -13.557 2.392 6.236 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.160 1.822 4.201 1.00 0.00 O ATOM 0 H GLU A 41 -9.007 0.149 6.584 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.327 0.865 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.058 -0.403 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.639 1.166 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.451 -0.003 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.290 -0.431 5.845 1.00 0.00 H new ATOM 583 N ARG A 42 -10.111 3.430 6.377 1.00 0.00 N ATOM 584 CA ARG A 42 -10.272 4.876 6.471 1.00 0.00 C ATOM 585 C ARG A 42 -9.230 5.595 5.619 1.00 0.00 C ATOM 586 O ARG A 42 -9.462 6.706 5.143 1.00 0.00 O ATOM 587 CB ARG A 42 -10.158 5.331 7.927 1.00 0.00 C ATOM 588 CG ARG A 42 -11.250 4.774 8.826 1.00 0.00 C ATOM 589 CD ARG A 42 -10.890 4.921 10.296 1.00 0.00 C ATOM 590 NE ARG A 42 -11.971 4.476 11.171 1.00 0.00 N ATOM 591 CZ ARG A 42 -13.057 5.198 11.422 1.00 0.00 C ATOM 592 NH1 ARG A 42 -13.207 6.392 10.865 1.00 0.00 N ATOM 593 NH2 ARG A 42 -13.998 4.724 12.230 1.00 0.00 N ATOM 0 H ARG A 42 -9.651 3.004 7.181 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.263 5.131 6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.187 5.028 8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.190 6.420 7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.187 5.293 8.626 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.413 3.722 8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.990 4.343 10.508 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.657 5.964 10.510 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.887 3.561 11.614 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.487 6.758 10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.042 6.944 11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.887 3.805 12.658 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.832 5.279 12.422 1.00 0.00 H new ATOM 607 N GLY A 43 -8.081 4.954 5.432 1.00 0.00 N ATOM 608 CA GLY A 43 -7.020 5.547 4.639 1.00 0.00 C ATOM 609 C GLY A 43 -7.309 5.493 3.152 1.00 0.00 C ATOM 610 O GLY A 43 -7.002 6.431 2.418 1.00 0.00 O ATOM 0 H GLY A 43 -7.866 4.034 5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.881 6.585 4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.084 5.027 4.843 1.00 0.00 H new ATOM 614 N GLY A 44 -7.899 4.388 2.705 1.00 0.00 N ATOM 615 CA GLY A 44 -8.218 4.235 1.297 1.00 0.00 C ATOM 616 C GLY A 44 -7.658 2.953 0.713 1.00 0.00 C ATOM 617 O GLY A 44 -7.446 2.855 -0.496 1.00 0.00 O ATOM 0 H GLY A 44 -8.162 3.597 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.300 4.247 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.822 5.086 0.743 1.00 0.00 H new ATOM 621 N ILE A 45 -7.417 1.969 1.572 1.00 0.00 N ATOM 622 CA ILE A 45 -6.878 0.688 1.134 1.00 0.00 C ATOM 623 C ILE A 45 -7.972 -0.197 0.546 1.00 0.00 C ATOM 624 O ILE A 45 -9.070 -0.290 1.094 1.00 0.00 O ATOM 625 CB ILE A 45 -6.194 -0.062 2.293 1.00 0.00 C ATOM 626 CG1 ILE A 45 -5.111 0.813 2.926 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.602 -1.373 1.799 1.00 0.00 C ATOM 628 CD1 ILE A 45 -4.117 1.362 1.928 1.00 0.00 C ATOM 0 H ILE A 45 -7.587 2.034 2.576 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.137 0.905 0.365 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.942 -0.288 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.586 1.644 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.576 0.230 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.122 -1.891 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.395 -1.999 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.864 -1.169 1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.379 1.973 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.615 0.537 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.640 1.973 1.192 1.00 0.00 H new ATOM 640 N ARG A 46 -7.664 -0.846 -0.572 1.00 0.00 N ATOM 641 CA ARG A 46 -8.620 -1.725 -1.234 1.00 0.00 C ATOM 642 C ARG A 46 -7.957 -3.034 -1.653 1.00 0.00 C ATOM 643 O ARG A 46 -6.946 -3.032 -2.356 1.00 0.00 O ATOM 644 CB ARG A 46 -9.221 -1.030 -2.458 1.00 0.00 C ATOM 645 CG ARG A 46 -10.427 -0.163 -2.135 1.00 0.00 C ATOM 646 CD ARG A 46 -11.721 -0.958 -2.212 1.00 0.00 C ATOM 647 NE ARG A 46 -12.896 -0.112 -2.020 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.335 0.753 -2.927 1.00 0.00 C ATOM 649 NH1 ARG A 46 -12.700 0.886 -4.083 1.00 0.00 N ATOM 650 NH2 ARG A 46 -14.411 1.488 -2.678 1.00 0.00 N ATOM 0 H ARG A 46 -6.759 -0.780 -1.038 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.417 -1.953 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.455 -0.412 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.512 -1.785 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.316 0.258 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.471 0.675 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.785 -1.453 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.711 -1.741 -1.454 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.408 -0.190 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.872 0.323 -4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.039 1.551 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.902 1.389 -1.789 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.747 2.152 -3.375 1.00 0.00 H new ATOM 664 N VAL A 47 -8.534 -4.149 -1.217 1.00 0.00 N ATOM 665 CA VAL A 47 -7.999 -5.465 -1.547 1.00 0.00 C ATOM 666 C VAL A 47 -7.992 -5.693 -3.055 1.00 0.00 C ATOM 667 O VAL A 47 -8.816 -5.138 -3.781 1.00 0.00 O ATOM 668 CB VAL A 47 -8.813 -6.586 -0.874 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.926 -6.339 0.623 1.00 0.00 C ATOM 670 CG2 VAL A 47 -10.190 -6.700 -1.509 1.00 0.00 C ATOM 0 H VAL A 47 -9.371 -4.168 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.976 -5.494 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.290 -7.531 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.504 -7.141 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.929 -6.313 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.425 -5.386 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.751 -7.497 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.724 -5.757 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.084 -6.928 -2.570 1.00 0.00 H new ATOM 680 N GLY A 48 -7.056 -6.514 -3.519 1.00 0.00 N ATOM 681 CA GLY A 48 -6.959 -6.802 -4.938 1.00 0.00 C ATOM 682 C GLY A 48 -5.982 -5.887 -5.650 1.00 0.00 C ATOM 683 O GLY A 48 -5.427 -6.247 -6.688 1.00 0.00 O ATOM 0 H GLY A 48 -6.363 -6.985 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.648 -7.838 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.944 -6.702 -5.394 1.00 0.00 H new ATOM 687 N HIS A 49 -5.773 -4.699 -5.092 1.00 0.00 N ATOM 688 CA HIS A 49 -4.857 -3.728 -5.681 1.00 0.00 C ATOM 689 C HIS A 49 -3.407 -4.104 -5.391 1.00 0.00 C ATOM 690 O HIS A 49 -3.109 -4.721 -4.369 1.00 0.00 O ATOM 691 CB HIS A 49 -5.151 -2.327 -5.144 1.00 0.00 C ATOM 692 CG HIS A 49 -6.321 -1.665 -5.804 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.386 -0.307 -6.034 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.474 -2.182 -6.287 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.530 -0.017 -6.628 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.209 -1.138 -6.793 1.00 0.00 N ATOM 0 H HIS A 49 -6.225 -4.385 -4.233 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.006 -3.733 -6.761 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.337 -2.390 -4.072 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.268 -1.703 -5.278 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.763 -3.223 -6.277 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.855 0.969 -6.928 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.129 -1.216 -7.226 1.00 0.00 H new ATOM 704 N ARG A 50 -2.511 -3.728 -6.297 1.00 0.00 N ATOM 705 CA ARG A 50 -1.093 -4.027 -6.139 1.00 0.00 C ATOM 706 C ARG A 50 -0.319 -2.783 -5.714 1.00 0.00 C ATOM 707 O ARG A 50 -0.523 -1.697 -6.257 1.00 0.00 O ATOM 708 CB ARG A 50 -0.518 -4.577 -7.446 1.00 0.00 C ATOM 709 CG ARG A 50 0.897 -5.116 -7.309 1.00 0.00 C ATOM 710 CD ARG A 50 1.933 -4.033 -7.567 1.00 0.00 C ATOM 711 NE ARG A 50 3.212 -4.591 -7.997 1.00 0.00 N ATOM 712 CZ ARG A 50 4.146 -5.023 -7.157 1.00 0.00 C ATOM 713 NH1 ARG A 50 3.943 -4.963 -5.848 1.00 0.00 N ATOM 714 NH2 ARG A 50 5.284 -5.518 -7.625 1.00 0.00 N ATOM 0 H ARG A 50 -2.742 -3.216 -7.148 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.991 -4.781 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.167 -5.372 -7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.526 -3.787 -8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.037 -5.524 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.044 -5.937 -8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.561 -3.350 -8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.080 -3.448 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 50 3.399 -4.652 -8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.068 -4.585 -5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.661 -5.295 -5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.443 -5.567 -8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.000 -5.849 -6.979 1.00 0.00 H new ATOM 728 N ILE A 51 0.569 -2.949 -4.740 1.00 0.00 N ATOM 729 CA ILE A 51 1.374 -1.840 -4.243 1.00 0.00 C ATOM 730 C ILE A 51 2.618 -1.635 -5.100 1.00 0.00 C ATOM 731 O ILE A 51 3.458 -2.528 -5.215 1.00 0.00 O ATOM 732 CB ILE A 51 1.803 -2.067 -2.781 1.00 0.00 C ATOM 733 CG1 ILE A 51 0.581 -2.065 -1.861 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.799 -1.000 -2.350 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.425 -0.985 -2.194 1.00 0.00 C ATOM 0 H ILE A 51 0.749 -3.841 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 51 0.749 -0.948 -4.296 1.00 0.00 H new ATOM 0 HB ILE A 51 2.288 -3.041 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.091 -3.037 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.912 -1.936 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.093 -1.174 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.680 -1.045 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.338 -0.016 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.265 -1.044 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.049 -0.007 -2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.785 -1.125 -3.213 1.00 0.00 H new ATOM 747 N ILE A 52 2.729 -0.454 -5.699 1.00 0.00 N ATOM 748 CA ILE A 52 3.872 -0.131 -6.544 1.00 0.00 C ATOM 749 C ILE A 52 4.822 0.831 -5.839 1.00 0.00 C ATOM 750 O ILE A 52 6.014 0.874 -6.142 1.00 0.00 O ATOM 751 CB ILE A 52 3.427 0.491 -7.880 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.527 1.703 -7.629 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.705 -0.543 -8.732 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.251 2.519 -8.872 1.00 0.00 C ATOM 0 H ILE A 52 2.041 0.295 -5.615 1.00 0.00 H new ATOM 0 HA ILE A 52 4.391 -1.068 -6.745 1.00 0.00 H new ATOM 0 HB ILE A 52 4.313 0.825 -8.421 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.580 1.362 -7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.994 2.343 -6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.397 -0.088 -9.673 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.375 -1.379 -8.935 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.826 -0.904 -8.199 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.607 3.361 -8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.191 2.891 -9.279 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.755 1.894 -9.615 1.00 0.00 H new ATOM 766 N GLU A 53 4.285 1.601 -4.897 1.00 0.00 N ATOM 767 CA GLU A 53 5.086 2.562 -4.149 1.00 0.00 C ATOM 768 C GLU A 53 4.577 2.697 -2.717 1.00 0.00 C ATOM 769 O GLU A 53 3.384 2.542 -2.454 1.00 0.00 O ATOM 770 CB GLU A 53 5.063 3.927 -4.841 1.00 0.00 C ATOM 771 CG GLU A 53 6.193 4.847 -4.409 1.00 0.00 C ATOM 772 CD GLU A 53 5.946 6.293 -4.794 1.00 0.00 C ATOM 773 OE1 GLU A 53 6.274 6.667 -5.939 1.00 0.00 O ATOM 774 OE2 GLU A 53 5.424 7.050 -3.948 1.00 0.00 O ATOM 0 H GLU A 53 3.300 1.578 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 53 6.112 2.195 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.118 3.779 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.110 4.414 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.319 4.779 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.125 4.509 -4.861 1.00 0.00 H new ATOM 781 N ILE A 54 5.489 2.986 -1.795 1.00 0.00 N ATOM 782 CA ILE A 54 5.133 3.142 -0.391 1.00 0.00 C ATOM 783 C ILE A 54 6.016 4.183 0.288 1.00 0.00 C ATOM 784 O ILE A 54 7.190 4.332 -0.050 1.00 0.00 O ATOM 785 CB ILE A 54 5.251 1.809 0.372 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.720 1.408 0.518 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.468 0.718 -0.344 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.374 1.953 1.768 1.00 0.00 C ATOM 0 H ILE A 54 6.480 3.117 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 54 4.096 3.476 -0.364 1.00 0.00 H new ATOM 0 HB ILE A 54 4.828 1.939 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.792 0.320 0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.272 1.759 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.561 -0.218 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.417 1.002 -0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.864 0.587 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.414 1.629 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.334 3.042 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.846 1.581 2.646 1.00 0.00 H new ATOM 800 N ASN A 55 5.444 4.900 1.250 1.00 0.00 N ATOM 801 CA ASN A 55 6.180 5.927 1.979 1.00 0.00 C ATOM 802 C ASN A 55 7.185 6.626 1.067 1.00 0.00 C ATOM 803 O ASN A 55 8.327 6.867 1.455 1.00 0.00 O ATOM 804 CB ASN A 55 6.904 5.311 3.177 1.00 0.00 C ATOM 805 CG ASN A 55 5.978 4.491 4.054 1.00 0.00 C ATOM 806 OD1 ASN A 55 6.117 3.272 4.153 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.025 5.158 4.695 1.00 0.00 N ATOM 0 H ASN A 55 4.473 4.789 1.543 1.00 0.00 H new ATOM 0 HA ASN A 55 5.465 6.667 2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.717 4.678 2.821 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.355 6.105 3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.371 4.659 5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.947 6.169 4.584 1.00 0.00 H new ATOM 814 N GLY A 56 6.750 6.949 -0.147 1.00 0.00 N ATOM 815 CA GLY A 56 7.623 7.617 -1.094 1.00 0.00 C ATOM 816 C GLY A 56 8.816 6.766 -1.483 1.00 0.00 C ATOM 817 O GLY A 56 9.953 7.236 -1.462 1.00 0.00 O ATOM 0 H GLY A 56 5.809 6.760 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.056 7.872 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.974 8.554 -0.661 1.00 0.00 H new ATOM 821 N GLN A 57 8.556 5.512 -1.836 1.00 0.00 N ATOM 822 CA GLN A 57 9.619 4.593 -2.228 1.00 0.00 C ATOM 823 C GLN A 57 9.106 3.561 -3.226 1.00 0.00 C ATOM 824 O GLN A 57 8.194 2.791 -2.925 1.00 0.00 O ATOM 825 CB GLN A 57 10.193 3.889 -0.998 1.00 0.00 C ATOM 826 CG GLN A 57 11.101 4.774 -0.158 1.00 0.00 C ATOM 827 CD GLN A 57 12.309 5.268 -0.928 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.250 6.291 -1.611 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.416 4.542 -0.823 1.00 0.00 N ATOM 0 H GLN A 57 7.619 5.109 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 57 10.408 5.173 -2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.371 3.533 -0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.753 3.011 -1.320 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.532 5.630 0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.436 4.218 0.718 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.421 3.701 -0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.261 4.826 -1.319 1.00 0.00 H new ATOM 838 N SER A 58 9.697 3.551 -4.417 1.00 0.00 N ATOM 839 CA SER A 58 9.297 2.616 -5.461 1.00 0.00 C ATOM 840 C SER A 58 9.602 1.179 -5.050 1.00 0.00 C ATOM 841 O SER A 58 10.748 0.833 -4.763 1.00 0.00 O ATOM 842 CB SER A 58 10.012 2.946 -6.773 1.00 0.00 C ATOM 843 OG SER A 58 11.414 2.778 -6.645 1.00 0.00 O ATOM 0 H SER A 58 10.455 4.180 -4.682 1.00 0.00 H new ATOM 0 HA SER A 58 8.221 2.713 -5.608 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.636 2.302 -7.568 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.790 3.973 -7.064 1.00 0.00 H new ATOM 0 HG SER A 58 11.600 2.061 -6.004 1.00 0.00 H new ATOM 849 N VAL A 59 8.567 0.345 -5.024 1.00 0.00 N ATOM 850 CA VAL A 59 8.722 -1.056 -4.649 1.00 0.00 C ATOM 851 C VAL A 59 8.109 -1.977 -5.698 1.00 0.00 C ATOM 852 O VAL A 59 7.967 -3.179 -5.477 1.00 0.00 O ATOM 853 CB VAL A 59 8.073 -1.346 -3.283 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.953 -0.833 -2.154 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.685 -0.729 -3.211 1.00 0.00 C ATOM 0 H VAL A 59 7.612 0.615 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 59 9.793 -1.250 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 59 7.972 -2.425 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.478 -1.047 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.924 -1.327 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.089 0.243 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.241 -0.944 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.759 0.350 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.058 -1.150 -3.997 1.00 0.00 H new ATOM 865 N VAL A 60 7.746 -1.404 -6.841 1.00 0.00 N ATOM 866 CA VAL A 60 7.149 -2.173 -7.926 1.00 0.00 C ATOM 867 C VAL A 60 7.956 -3.434 -8.215 1.00 0.00 C ATOM 868 O VAL A 60 7.444 -4.393 -8.792 1.00 0.00 O ATOM 869 CB VAL A 60 7.042 -1.337 -9.215 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.345 -0.598 -9.481 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.672 -2.223 -10.395 1.00 0.00 C ATOM 0 H VAL A 60 7.855 -0.409 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 60 6.147 -2.453 -7.601 1.00 0.00 H new ATOM 0 HB VAL A 60 6.252 -0.597 -9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.251 -0.013 -10.396 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.563 0.067 -8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.155 -1.318 -9.593 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.601 -1.616 -11.297 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.438 -2.987 -10.531 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.712 -2.702 -10.203 1.00 0.00 H new ATOM 881 N ALA A 61 9.222 -3.424 -7.811 1.00 0.00 N ATOM 882 CA ALA A 61 10.101 -4.568 -8.025 1.00 0.00 C ATOM 883 C ALA A 61 10.605 -5.128 -6.699 1.00 0.00 C ATOM 884 O ALA A 61 10.883 -6.322 -6.583 1.00 0.00 O ATOM 885 CB ALA A 61 11.272 -4.174 -8.913 1.00 0.00 C ATOM 0 H ALA A 61 9.662 -2.637 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 61 9.527 -5.348 -8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.920 -5.037 -9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.898 -3.828 -9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.838 -3.375 -8.435 1.00 0.00 H new ATOM 891 N THR A 62 10.721 -4.259 -5.700 1.00 0.00 N ATOM 892 CA THR A 62 11.193 -4.666 -4.383 1.00 0.00 C ATOM 893 C THR A 62 10.376 -5.836 -3.844 1.00 0.00 C ATOM 894 O THR A 62 9.152 -5.877 -3.966 1.00 0.00 O ATOM 895 CB THR A 62 11.127 -3.502 -3.377 1.00 0.00 C ATOM 896 OG1 THR A 62 11.901 -2.396 -3.856 1.00 0.00 O ATOM 897 CG2 THR A 62 11.642 -3.935 -2.013 1.00 0.00 C ATOM 0 H THR A 62 10.494 -3.268 -5.778 1.00 0.00 H new ATOM 0 HA THR A 62 12.232 -4.975 -4.501 1.00 0.00 H new ATOM 0 HB THR A 62 10.085 -3.199 -3.274 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.853 -1.659 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.585 -3.096 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.032 -4.757 -1.638 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.678 -4.263 -2.102 1.00 0.00 H new ATOM 905 N PRO A 63 11.068 -6.809 -3.233 1.00 0.00 N ATOM 906 CA PRO A 63 10.426 -7.997 -2.661 1.00 0.00 C ATOM 907 C PRO A 63 9.600 -7.670 -1.421 1.00 0.00 C ATOM 908 O PRO A 63 9.883 -6.703 -0.713 1.00 0.00 O ATOM 909 CB PRO A 63 11.608 -8.897 -2.294 1.00 0.00 C ATOM 910 CG PRO A 63 12.749 -7.960 -2.090 1.00 0.00 C ATOM 911 CD PRO A 63 12.529 -6.825 -3.051 1.00 0.00 C ATOM 0 HA PRO A 63 9.724 -8.455 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.402 -9.472 -1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.821 -9.614 -3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.780 -7.600 -1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.700 -8.456 -2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.894 -5.881 -2.647 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.049 -6.991 -3.994 1.00 0.00 H new ATOM 919 N HIS A 64 8.580 -8.481 -1.165 1.00 0.00 N ATOM 920 CA HIS A 64 7.713 -8.279 -0.009 1.00 0.00 C ATOM 921 C HIS A 64 8.533 -8.186 1.274 1.00 0.00 C ATOM 922 O HIS A 64 8.406 -7.228 2.036 1.00 0.00 O ATOM 923 CB HIS A 64 6.699 -9.417 0.100 1.00 0.00 C ATOM 924 CG HIS A 64 5.766 -9.279 1.265 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.420 -9.016 1.123 1.00 0.00 N ATOM 926 CD2 HIS A 64 5.993 -9.370 2.596 1.00 0.00 C ATOM 927 CE1 HIS A 64 3.859 -8.950 2.318 1.00 0.00 C ATOM 928 NE2 HIS A 64 4.792 -9.161 3.228 1.00 0.00 N ATOM 0 H HIS A 64 8.333 -9.285 -1.742 1.00 0.00 H new ATOM 0 HA HIS A 64 7.178 -7.339 -0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.115 -9.462 -0.819 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.234 -10.363 0.184 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.942 -9.570 3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.815 -8.756 2.516 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.645 -9.168 4.237 1.00 0.00 H new ATOM 936 N ALA A 65 9.372 -9.190 1.508 1.00 0.00 N ATOM 937 CA ALA A 65 10.213 -9.221 2.698 1.00 0.00 C ATOM 938 C ALA A 65 10.771 -7.837 3.013 1.00 0.00 C ATOM 939 O ALA A 65 10.809 -7.421 4.171 1.00 0.00 O ATOM 940 CB ALA A 65 11.346 -10.220 2.518 1.00 0.00 C ATOM 0 H ALA A 65 9.487 -9.993 0.889 1.00 0.00 H new ATOM 0 HA ALA A 65 9.596 -9.535 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.966 -10.232 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.931 -11.214 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.954 -9.930 1.661 1.00 0.00 H new ATOM 946 N ARG A 66 11.204 -7.129 1.975 1.00 0.00 N ATOM 947 CA ARG A 66 11.762 -5.792 2.141 1.00 0.00 C ATOM 948 C ARG A 66 10.653 -4.757 2.307 1.00 0.00 C ATOM 949 O ARG A 66 10.763 -3.840 3.122 1.00 0.00 O ATOM 950 CB ARG A 66 12.638 -5.429 0.941 1.00 0.00 C ATOM 951 CG ARG A 66 13.007 -3.955 0.880 1.00 0.00 C ATOM 952 CD ARG A 66 13.775 -3.522 2.118 1.00 0.00 C ATOM 953 NE ARG A 66 14.705 -2.433 1.832 1.00 0.00 N ATOM 954 CZ ARG A 66 15.306 -1.713 2.773 1.00 0.00 C ATOM 955 NH1 ARG A 66 15.074 -1.964 4.054 1.00 0.00 N ATOM 956 NH2 ARG A 66 16.140 -0.738 2.433 1.00 0.00 N ATOM 0 H ARG A 66 11.179 -7.459 1.010 1.00 0.00 H new ATOM 0 HA ARG A 66 12.375 -5.791 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.552 -6.022 0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.115 -5.702 0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.610 -3.766 -0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.102 -3.356 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.072 -3.205 2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.326 -4.373 2.519 1.00 0.00 H new ATOM 0 HE ARG A 66 14.904 -2.213 0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.433 -2.712 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.537 -1.410 4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.320 -0.541 1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.601 -0.186 3.156 1.00 0.00 H new ATOM 970 N ILE A 67 9.587 -4.910 1.530 1.00 0.00 N ATOM 971 CA ILE A 67 8.458 -3.989 1.591 1.00 0.00 C ATOM 972 C ILE A 67 7.902 -3.896 3.008 1.00 0.00 C ATOM 973 O ILE A 67 7.414 -2.845 3.426 1.00 0.00 O ATOM 974 CB ILE A 67 7.329 -4.418 0.636 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.731 -4.150 -0.816 1.00 0.00 C ATOM 976 CG2 ILE A 67 6.040 -3.686 0.978 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.910 -4.924 -1.823 1.00 0.00 C ATOM 0 H ILE A 67 9.481 -5.663 0.850 1.00 0.00 H new ATOM 0 HA ILE A 67 8.830 -3.012 1.284 1.00 0.00 H new ATOM 0 HB ILE A 67 7.159 -5.488 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.632 -3.084 -1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.783 -4.403 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.251 -4.000 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.748 -3.922 2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.196 -2.611 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.250 -4.685 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.028 -5.993 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.859 -4.653 -1.721 1.00 0.00 H new ATOM 989 N ILE A 68 7.980 -5.000 3.743 1.00 0.00 N ATOM 990 CA ILE A 68 7.487 -5.042 5.114 1.00 0.00 C ATOM 991 C ILE A 68 8.349 -4.184 6.034 1.00 0.00 C ATOM 992 O ILE A 68 7.847 -3.568 6.973 1.00 0.00 O ATOM 993 CB ILE A 68 7.452 -6.482 5.656 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.513 -7.346 4.812 1.00 0.00 C ATOM 995 CG2 ILE A 68 7.019 -6.489 7.115 1.00 0.00 C ATOM 996 CD1 ILE A 68 5.081 -6.858 4.810 1.00 0.00 C ATOM 0 H ILE A 68 8.380 -5.878 3.412 1.00 0.00 H new ATOM 0 HA ILE A 68 6.472 -4.645 5.097 1.00 0.00 H new ATOM 0 HB ILE A 68 8.456 -6.902 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.881 -7.373 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.539 -8.369 5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.999 -7.515 7.484 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.724 -5.904 7.706 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.024 -6.053 7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.473 -7.518 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.695 -6.858 5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.042 -5.846 4.407 1.00 0.00 H new ATOM 1008 N GLU A 69 9.648 -4.149 5.756 1.00 0.00 N ATOM 1009 CA GLU A 69 10.580 -3.366 6.559 1.00 0.00 C ATOM 1010 C GLU A 69 10.404 -1.873 6.295 1.00 0.00 C ATOM 1011 O GLU A 69 10.622 -1.044 7.180 1.00 0.00 O ATOM 1012 CB GLU A 69 12.021 -3.781 6.258 1.00 0.00 C ATOM 1013 CG GLU A 69 12.511 -4.940 7.110 1.00 0.00 C ATOM 1014 CD GLU A 69 13.787 -5.559 6.574 1.00 0.00 C ATOM 1015 OE1 GLU A 69 14.706 -4.798 6.206 1.00 0.00 O ATOM 1016 OE2 GLU A 69 13.867 -6.805 6.523 1.00 0.00 O ATOM 0 H GLU A 69 10.079 -4.653 4.981 1.00 0.00 H new ATOM 0 HA GLU A 69 10.366 -3.560 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.099 -4.056 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.677 -2.924 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.681 -4.591 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.734 -5.703 7.160 1.00 0.00 H new ATOM 1023 N LEU A 70 10.008 -1.537 5.072 1.00 0.00 N ATOM 1024 CA LEU A 70 9.802 -0.144 4.690 1.00 0.00 C ATOM 1025 C LEU A 70 8.509 0.400 5.289 1.00 0.00 C ATOM 1026 O LEU A 70 8.527 1.348 6.075 1.00 0.00 O ATOM 1027 CB LEU A 70 9.767 -0.013 3.167 1.00 0.00 C ATOM 1028 CG LEU A 70 11.110 -0.152 2.450 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.906 -0.242 0.945 1.00 0.00 C ATOM 1030 CD2 LEU A 70 12.023 1.015 2.796 1.00 0.00 C ATOM 0 H LEU A 70 9.823 -2.210 4.328 1.00 0.00 H new ATOM 0 HA LEU A 70 10.635 0.441 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.088 -0.769 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.343 0.959 2.916 1.00 0.00 H new ATOM 0 HG LEU A 70 11.586 -1.073 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.873 -0.340 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.290 -1.111 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.408 0.661 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.974 0.899 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.553 1.949 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.197 1.034 3.872 1.00 0.00 H new ATOM 1042 N LEU A 71 7.389 -0.208 4.915 1.00 0.00 N ATOM 1043 CA LEU A 71 6.086 0.214 5.417 1.00 0.00 C ATOM 1044 C LEU A 71 6.105 0.351 6.936 1.00 0.00 C ATOM 1045 O LEU A 71 5.737 1.392 7.481 1.00 0.00 O ATOM 1046 CB LEU A 71 5.008 -0.788 4.998 1.00 0.00 C ATOM 1047 CG LEU A 71 4.438 -0.611 3.590 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.576 -1.805 3.210 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.637 0.679 3.497 1.00 0.00 C ATOM 0 H LEU A 71 7.357 -0.994 4.266 1.00 0.00 H new ATOM 0 HA LEU A 71 5.856 1.188 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.424 -1.793 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.186 -0.727 5.711 1.00 0.00 H new ATOM 0 HG LEU A 71 5.269 -0.550 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.179 -1.662 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.179 -2.712 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.751 -1.898 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.239 0.788 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.814 0.648 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.284 1.526 3.726 1.00 0.00 H new ATOM 1061 N THR A 72 6.541 -0.706 7.615 1.00 0.00 N ATOM 1062 CA THR A 72 6.610 -0.703 9.071 1.00 0.00 C ATOM 1063 C THR A 72 7.515 0.415 9.576 1.00 0.00 C ATOM 1064 O THR A 72 7.235 1.038 10.599 1.00 0.00 O ATOM 1065 CB THR A 72 7.127 -2.050 9.611 1.00 0.00 C ATOM 1066 OG1 THR A 72 6.245 -3.107 9.215 1.00 0.00 O ATOM 1067 CG2 THR A 72 7.239 -2.017 11.128 1.00 0.00 C ATOM 0 H THR A 72 6.851 -1.575 7.180 1.00 0.00 H new ATOM 0 HA THR A 72 5.596 -0.539 9.436 1.00 0.00 H new ATOM 0 HB THR A 72 8.118 -2.229 9.193 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.576 -3.517 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.606 -2.979 11.487 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.933 -1.230 11.425 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.259 -1.818 11.561 1.00 0.00 H new ATOM 1075 N GLU A 73 8.601 0.664 8.851 1.00 0.00 N ATOM 1076 CA GLU A 73 9.547 1.708 9.228 1.00 0.00 C ATOM 1077 C GLU A 73 8.890 3.084 9.170 1.00 0.00 C ATOM 1078 O GLU A 73 9.348 4.029 9.811 1.00 0.00 O ATOM 1079 CB GLU A 73 10.770 1.675 8.307 1.00 0.00 C ATOM 1080 CG GLU A 73 11.875 0.754 8.796 1.00 0.00 C ATOM 1081 CD GLU A 73 12.938 0.510 7.743 1.00 0.00 C ATOM 1082 OE1 GLU A 73 12.735 0.930 6.585 1.00 0.00 O ATOM 1083 OE2 GLU A 73 13.974 -0.102 8.078 1.00 0.00 O ATOM 0 H GLU A 73 8.847 0.158 8.000 1.00 0.00 H new ATOM 0 HA GLU A 73 9.867 1.520 10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.457 1.357 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.167 2.685 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.339 1.188 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.442 -0.200 9.097 1.00 0.00 H new ATOM 1090 N ALA A 74 7.814 3.188 8.397 1.00 0.00 N ATOM 1091 CA ALA A 74 7.093 4.447 8.257 1.00 0.00 C ATOM 1092 C ALA A 74 6.025 4.591 9.336 1.00 0.00 C ATOM 1093 O ALA A 74 5.091 3.791 9.409 1.00 0.00 O ATOM 1094 CB ALA A 74 6.466 4.544 6.874 1.00 0.00 C ATOM 0 H ALA A 74 7.422 2.415 7.858 1.00 0.00 H new ATOM 0 HA ALA A 74 7.807 5.262 8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.931 5.489 6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.248 4.495 6.116 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.770 3.717 6.731 1.00 0.00 H new ATOM 1100 N TYR A 75 6.169 5.613 10.171 1.00 0.00 N ATOM 1101 CA TYR A 75 5.218 5.860 11.249 1.00 0.00 C ATOM 1102 C TYR A 75 4.298 7.028 10.907 1.00 0.00 C ATOM 1103 O TYR A 75 4.510 7.731 9.920 1.00 0.00 O ATOM 1104 CB TYR A 75 5.959 6.146 12.556 1.00 0.00 C ATOM 1105 CG TYR A 75 7.266 5.396 12.687 1.00 0.00 C ATOM 1106 CD1 TYR A 75 8.427 5.875 12.095 1.00 0.00 C ATOM 1107 CD2 TYR A 75 7.339 4.209 13.406 1.00 0.00 C ATOM 1108 CE1 TYR A 75 9.623 5.193 12.212 1.00 0.00 C ATOM 1109 CE2 TYR A 75 8.530 3.521 13.529 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.670 4.017 12.930 1.00 0.00 C ATOM 1111 OH TYR A 75 10.859 3.335 13.051 1.00 0.00 O ATOM 0 H TYR A 75 6.935 6.285 10.123 1.00 0.00 H new ATOM 0 HA TYR A 75 4.608 4.965 11.373 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.155 7.216 12.626 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.314 5.884 13.395 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.395 6.797 11.533 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.449 3.818 13.877 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.516 5.579 11.744 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.569 2.600 14.091 1.00 0.00 H new ATOM 0 HH TYR A 75 10.720 2.528 13.589 1.00 0.00 H new ATOM 1121 N GLY A 76 3.275 7.228 11.732 1.00 0.00 N ATOM 1122 CA GLY A 76 2.338 8.312 11.501 1.00 0.00 C ATOM 1123 C GLY A 76 1.712 8.254 10.122 1.00 0.00 C ATOM 1124 O GLY A 76 0.884 7.386 9.846 1.00 0.00 O ATOM 0 H GLY A 76 3.078 6.659 12.556 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.552 8.275 12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.853 9.265 11.623 1.00 0.00 H new ATOM 1128 N GLU A 77 2.106 9.181 9.255 1.00 0.00 N ATOM 1129 CA GLU A 77 1.576 9.232 7.898 1.00 0.00 C ATOM 1130 C GLU A 77 2.263 8.203 7.006 1.00 0.00 C ATOM 1131 O GLU A 77 3.488 8.081 7.009 1.00 0.00 O ATOM 1132 CB GLU A 77 1.753 10.633 7.309 1.00 0.00 C ATOM 1133 CG GLU A 77 0.745 10.970 6.224 1.00 0.00 C ATOM 1134 CD GLU A 77 0.519 12.462 6.080 1.00 0.00 C ATOM 1135 OE1 GLU A 77 1.510 13.220 6.132 1.00 0.00 O ATOM 1136 OE2 GLU A 77 -0.649 12.872 5.914 1.00 0.00 O ATOM 0 H GLU A 77 2.790 9.907 9.468 1.00 0.00 H new ATOM 0 HA GLU A 77 0.513 8.996 7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.671 11.368 8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.759 10.721 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.092 10.566 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.203 10.483 6.451 1.00 0.00 H new ATOM 1143 N VAL A 78 1.465 7.462 6.243 1.00 0.00 N ATOM 1144 CA VAL A 78 1.995 6.443 5.345 1.00 0.00 C ATOM 1145 C VAL A 78 1.393 6.572 3.951 1.00 0.00 C ATOM 1146 O VAL A 78 0.232 6.226 3.730 1.00 0.00 O ATOM 1147 CB VAL A 78 1.723 5.025 5.881 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.085 3.980 4.837 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.490 4.788 7.173 1.00 0.00 C ATOM 0 H VAL A 78 0.449 7.549 6.229 1.00 0.00 H new ATOM 0 HA VAL A 78 3.072 6.601 5.288 1.00 0.00 H new ATOM 0 HB VAL A 78 0.658 4.935 6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.886 2.985 5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.486 4.139 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.143 4.066 4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.286 3.781 7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.558 4.897 6.987 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.176 5.516 7.921 1.00 0.00 H new ATOM 1159 N HIS A 79 2.189 7.072 3.011 1.00 0.00 N ATOM 1160 CA HIS A 79 1.735 7.246 1.636 1.00 0.00 C ATOM 1161 C HIS A 79 1.874 5.946 0.850 1.00 0.00 C ATOM 1162 O HIS A 79 2.980 5.544 0.488 1.00 0.00 O ATOM 1163 CB HIS A 79 2.529 8.358 0.951 1.00 0.00 C ATOM 1164 CG HIS A 79 2.064 9.736 1.312 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.596 10.640 0.382 1.00 0.00 N ATOM 1166 CD2 HIS A 79 1.997 10.361 2.510 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.262 11.762 0.993 1.00 0.00 C ATOM 1168 NE2 HIS A 79 1.495 11.619 2.285 1.00 0.00 N ATOM 0 H HIS A 79 3.152 7.364 3.177 1.00 0.00 H new ATOM 0 HA HIS A 79 0.682 7.525 1.660 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.582 8.258 1.216 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.459 8.231 -0.129 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.285 9.947 3.465 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.866 12.647 0.517 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.329 12.328 2.999 1.00 0.00 H new ATOM 1176 N ILE A 80 0.746 5.294 0.590 1.00 0.00 N ATOM 1177 CA ILE A 80 0.743 4.040 -0.154 1.00 0.00 C ATOM 1178 C ILE A 80 0.100 4.216 -1.526 1.00 0.00 C ATOM 1179 O ILE A 80 -1.044 4.655 -1.635 1.00 0.00 O ATOM 1180 CB ILE A 80 -0.003 2.932 0.612 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.803 2.498 1.838 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.272 1.745 -0.300 1.00 0.00 C ATOM 1183 CD1 ILE A 80 -0.002 1.698 2.838 1.00 0.00 C ATOM 0 H ILE A 80 -0.177 5.613 0.883 1.00 0.00 H new ATOM 0 HA ILE A 80 1.785 3.745 -0.279 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.960 3.327 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.655 1.903 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.204 3.383 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.800 0.971 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.883 2.066 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.674 1.347 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.633 1.424 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.839 2.298 3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.381 0.794 2.361 1.00 0.00 H new ATOM 1195 N LYS A 81 0.844 3.868 -2.570 1.00 0.00 N ATOM 1196 CA LYS A 81 0.347 3.983 -3.936 1.00 0.00 C ATOM 1197 C LYS A 81 -0.214 2.652 -4.426 1.00 0.00 C ATOM 1198 O LYS A 81 0.534 1.709 -4.687 1.00 0.00 O ATOM 1199 CB LYS A 81 1.465 4.452 -4.870 1.00 0.00 C ATOM 1200 CG LYS A 81 0.962 5.012 -6.189 1.00 0.00 C ATOM 1201 CD LYS A 81 2.019 5.861 -6.874 1.00 0.00 C ATOM 1202 CE LYS A 81 2.040 7.279 -6.322 1.00 0.00 C ATOM 1203 NZ LYS A 81 3.219 8.046 -6.809 1.00 0.00 N ATOM 0 H LYS A 81 1.794 3.504 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.456 4.720 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.055 5.215 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.133 3.615 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.671 4.192 -6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.069 5.612 -6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.999 5.403 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.825 5.890 -7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.125 7.796 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.054 7.245 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.197 9.006 -6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.092 7.567 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.193 8.101 -7.847 1.00 0.00 H new ATOM 1217 N THR A 82 -1.536 2.581 -4.550 1.00 0.00 N ATOM 1218 CA THR A 82 -2.197 1.366 -5.008 1.00 0.00 C ATOM 1219 C THR A 82 -2.487 1.428 -6.503 1.00 0.00 C ATOM 1220 O THR A 82 -2.845 2.480 -7.032 1.00 0.00 O ATOM 1221 CB THR A 82 -3.516 1.123 -4.250 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.370 2.266 -4.375 1.00 0.00 O ATOM 1223 CG2 THR A 82 -3.250 0.841 -2.779 1.00 0.00 C ATOM 0 H THR A 82 -2.170 3.352 -4.339 1.00 0.00 H new ATOM 0 HA THR A 82 -1.514 0.540 -4.807 1.00 0.00 H new ATOM 0 HB THR A 82 -4.007 0.254 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.207 2.103 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.196 0.673 -2.264 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.623 -0.046 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.740 1.694 -2.331 1.00 0.00 H new ATOM 1231 N MET A 83 -2.332 0.295 -7.179 1.00 0.00 N ATOM 1232 CA MET A 83 -2.580 0.222 -8.615 1.00 0.00 C ATOM 1233 C MET A 83 -3.113 -1.153 -9.004 1.00 0.00 C ATOM 1234 O MET A 83 -2.623 -2.187 -8.552 1.00 0.00 O ATOM 1235 CB MET A 83 -1.296 0.522 -9.392 1.00 0.00 C ATOM 1236 CG MET A 83 -1.497 0.580 -10.897 1.00 0.00 C ATOM 1237 SD MET A 83 -2.020 2.208 -11.467 1.00 0.00 S ATOM 1238 CE MET A 83 -2.022 1.962 -13.241 1.00 0.00 C ATOM 0 H MET A 83 -2.036 -0.585 -6.757 1.00 0.00 H new ATOM 0 HA MET A 83 -3.332 0.970 -8.868 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.889 1.474 -9.051 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.554 -0.243 -9.162 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.566 0.307 -11.394 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.243 -0.159 -11.189 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.674 2.869 -13.735 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.360 1.134 -13.494 1.00 0.00 H new ATOM 0 HE3 MET A 83 -3.034 1.733 -13.575 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.143 -1.167 -9.864 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.765 -2.409 -10.333 1.00 0.00 C ATOM 1250 C PRO A 84 -3.852 -3.200 -11.263 1.00 0.00 C ATOM 1251 O PRO A 84 -3.499 -2.734 -12.346 1.00 0.00 O ATOM 1252 CB PRO A 84 -6.004 -1.921 -11.089 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.663 -0.536 -11.521 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.779 0.028 -10.444 1.00 0.00 C ATOM 0 HA PRO A 84 -4.990 -3.088 -9.510 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.223 -2.560 -11.945 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.887 -1.930 -10.450 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.150 -0.542 -12.483 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.563 0.067 -11.643 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.041 0.719 -10.851 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.354 0.579 -9.699 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.472 -4.399 -10.833 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.601 -5.255 -11.628 1.00 0.00 C ATOM 1264 C ALA A 85 -3.011 -5.242 -13.097 1.00 0.00 C ATOM 1265 O ALA A 85 -2.162 -5.200 -13.987 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.621 -6.677 -11.086 1.00 0.00 C ATOM 0 H ALA A 85 -3.754 -4.799 -9.938 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.586 -4.864 -11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.966 -7.306 -11.689 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.274 -6.677 -10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.638 -7.068 -11.127 1.00 0.00 H new ATOM 1272 N ALA A 86 -4.316 -5.279 -13.343 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.838 -5.270 -14.704 1.00 0.00 C ATOM 1274 C ALA A 86 -4.198 -4.158 -15.529 1.00 0.00 C ATOM 1275 O ALA A 86 -3.435 -4.422 -16.460 1.00 0.00 O ATOM 1276 CB ALA A 86 -6.351 -5.114 -14.688 1.00 0.00 C ATOM 0 H ALA A 86 -5.032 -5.316 -12.617 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.587 -6.223 -15.170 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.727 -5.109 -15.711 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.797 -5.945 -14.142 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.615 -4.176 -14.200 1.00 0.00 H new ATOM 1282 N THR A 87 -4.514 -2.914 -15.184 1.00 0.00 N ATOM 1283 CA THR A 87 -3.972 -1.763 -15.894 1.00 0.00 C ATOM 1284 C THR A 87 -2.449 -1.808 -15.934 1.00 0.00 C ATOM 1285 O THR A 87 -1.851 -1.982 -16.996 1.00 0.00 O ATOM 1286 CB THR A 87 -4.418 -0.440 -15.243 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.842 -0.426 -15.088 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.982 0.751 -16.083 1.00 0.00 C ATOM 0 H THR A 87 -5.143 -2.678 -14.417 1.00 0.00 H new ATOM 0 HA THR A 87 -4.361 -1.808 -16.911 1.00 0.00 H new ATOM 0 HB THR A 87 -3.946 -0.365 -14.264 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.117 0.417 -14.672 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.308 1.674 -15.603 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.896 0.754 -16.174 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.429 0.680 -17.075 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.827 -1.652 -14.771 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.372 -1.673 -14.673 1.00 0.00 C ATOM 1298 C TYR A 88 0.224 -2.692 -15.640 1.00 0.00 C ATOM 1299 O TYR A 88 1.004 -2.341 -16.526 1.00 0.00 O ATOM 1300 CB TYR A 88 0.059 -2.000 -13.242 1.00 0.00 C ATOM 1301 CG TYR A 88 1.381 -1.378 -12.852 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.581 -0.006 -12.947 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.430 -2.162 -12.388 1.00 0.00 C ATOM 1304 CE1 TYR A 88 2.787 0.566 -12.592 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.639 -1.598 -12.030 1.00 0.00 C ATOM 1306 CZ TYR A 88 3.813 -0.234 -12.134 1.00 0.00 C ATOM 1307 OH TYR A 88 5.016 0.332 -11.779 1.00 0.00 O ATOM 0 H TYR A 88 -2.307 -1.510 -13.883 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.001 -0.684 -14.941 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.712 -1.658 -12.552 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.129 -3.082 -13.131 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.780 0.624 -13.305 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.298 -3.231 -12.306 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.926 1.634 -12.673 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.444 -2.222 -11.671 1.00 0.00 H new ATOM 0 HH TYR A 88 5.202 0.140 -10.836 1.00 0.00 H new ATOM 1317 N ARG A 89 -0.151 -3.955 -15.464 1.00 0.00 N ATOM 1318 CA ARG A 89 0.346 -5.025 -16.320 1.00 0.00 C ATOM 1319 C ARG A 89 0.138 -4.685 -17.793 1.00 0.00 C ATOM 1320 O ARG A 89 1.045 -4.841 -18.612 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.357 -6.342 -15.986 1.00 0.00 C ATOM 1322 CG ARG A 89 0.192 -7.028 -14.745 1.00 0.00 C ATOM 1323 CD ARG A 89 1.323 -7.983 -15.091 1.00 0.00 C ATOM 1324 NE ARG A 89 0.915 -8.981 -16.076 1.00 0.00 N ATOM 1325 CZ ARG A 89 0.234 -10.080 -15.770 1.00 0.00 C ATOM 1326 NH1 ARG A 89 -0.114 -10.320 -14.513 1.00 0.00 N ATOM 1327 NH2 ARG A 89 -0.102 -10.941 -16.722 1.00 0.00 N ATOM 0 H ARG A 89 -0.797 -4.262 -14.737 1.00 0.00 H new ATOM 0 HA ARG A 89 1.415 -5.135 -16.138 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.421 -6.151 -15.844 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.265 -7.019 -16.836 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.551 -6.277 -14.041 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.608 -7.575 -14.246 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.170 -7.417 -15.478 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.663 -8.485 -14.185 1.00 0.00 H new ATOM 0 HE ARG A 89 1.167 -8.826 -17.052 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.141 -9.660 -13.778 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.637 -11.165 -14.281 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.163 -10.760 -17.690 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.625 -11.784 -16.486 1.00 0.00 H new ATOM 1341 N LEU A 90 -1.061 -4.219 -18.123 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.390 -3.857 -19.498 1.00 0.00 C ATOM 1343 C LEU A 90 -0.547 -2.675 -19.965 1.00 0.00 C ATOM 1344 O LEU A 90 -0.347 -2.476 -21.164 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.876 -3.516 -19.615 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.822 -4.699 -19.827 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.271 -4.240 -19.778 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.524 -5.389 -21.150 1.00 0.00 C ATOM 0 H LEU A 90 -1.822 -4.083 -17.458 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.169 -4.713 -20.136 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.180 -2.991 -18.709 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.004 -2.821 -20.445 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.662 -5.416 -19.022 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.929 -5.095 -19.931 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.478 -3.792 -18.806 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.446 -3.503 -20.562 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.206 -6.228 -21.284 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.655 -4.680 -21.968 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.497 -5.754 -21.147 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.052 -1.894 -19.011 1.00 0.00 N ATOM 1361 CA LEU A 91 0.772 -0.732 -19.325 1.00 0.00 C ATOM 1362 C LEU A 91 2.214 -1.145 -19.601 1.00 0.00 C ATOM 1363 O LEU A 91 2.870 -0.599 -20.489 1.00 0.00 O ATOM 1364 CB LEU A 91 0.730 0.274 -18.173 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.634 0.898 -17.876 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.710 1.349 -16.426 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.902 2.065 -18.815 1.00 0.00 C ATOM 0 H LEU A 91 -0.207 -2.044 -18.014 1.00 0.00 H new ATOM 0 HA LEU A 91 0.369 -0.264 -20.223 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.084 -0.223 -17.270 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.434 1.077 -18.392 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.402 0.142 -18.040 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.688 1.791 -16.233 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.563 0.491 -15.770 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.067 2.089 -16.234 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.877 2.497 -18.589 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.130 2.823 -18.683 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.891 1.712 -19.846 1.00 0.00 H new ATOM 1379 N THR A 92 2.703 -2.116 -18.836 1.00 0.00 N ATOM 1380 CA THR A 92 4.066 -2.605 -18.998 1.00 0.00 C ATOM 1381 C THR A 92 4.110 -3.818 -19.920 1.00 0.00 C ATOM 1382 O THR A 92 5.051 -4.609 -19.878 1.00 0.00 O ATOM 1383 CB THR A 92 4.694 -2.981 -17.643 1.00 0.00 C ATOM 1384 OG1 THR A 92 3.999 -4.097 -17.075 1.00 0.00 O ATOM 1385 CG2 THR A 92 4.647 -1.805 -16.679 1.00 0.00 C ATOM 0 H THR A 92 2.174 -2.580 -18.097 1.00 0.00 H new ATOM 0 HA THR A 92 4.641 -1.793 -19.443 1.00 0.00 H new ATOM 0 HB THR A 92 5.737 -3.249 -17.813 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.405 -4.332 -16.214 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.096 -2.095 -15.729 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.200 -0.966 -17.101 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.611 -1.510 -16.515 1.00 0.00 H new ATOM 1393 N GLY A 93 3.083 -3.959 -20.754 1.00 0.00 N ATOM 1394 CA GLY A 93 3.025 -5.079 -21.675 1.00 0.00 C ATOM 1395 C GLY A 93 3.964 -4.911 -22.852 1.00 0.00 C ATOM 1396 O GLY A 93 4.732 -3.951 -22.909 1.00 0.00 O ATOM 0 H GLY A 93 2.291 -3.318 -20.808 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.275 -5.997 -21.143 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.005 -5.192 -22.041 1.00 0.00 H new ATOM 1400 N GLN A 94 3.906 -5.849 -23.792 1.00 0.00 N ATOM 1401 CA GLN A 94 4.761 -5.801 -24.973 1.00 0.00 C ATOM 1402 C GLN A 94 4.114 -4.974 -26.080 1.00 0.00 C ATOM 1403 O GLN A 94 2.894 -4.985 -26.245 1.00 0.00 O ATOM 1404 CB GLN A 94 5.048 -7.216 -25.478 1.00 0.00 C ATOM 1405 CG GLN A 94 5.562 -7.258 -26.908 1.00 0.00 C ATOM 1406 CD GLN A 94 6.995 -6.779 -27.028 1.00 0.00 C ATOM 1407 OE1 GLN A 94 7.823 -7.036 -26.154 1.00 0.00 O ATOM 1408 NE2 GLN A 94 7.296 -6.077 -28.115 1.00 0.00 N ATOM 0 H GLN A 94 3.277 -6.651 -23.759 1.00 0.00 H new ATOM 0 HA GLN A 94 5.701 -5.326 -24.692 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.782 -7.685 -24.823 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.136 -7.809 -25.411 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.491 -8.278 -27.286 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.922 -6.640 -27.538 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.578 -5.887 -28.814 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.245 -5.728 -28.250 1.00 0.00 H new TER 1417 GLN A 94