USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 73 GLN : amide:sc= 0.176 X(o=0.28,f=0.41) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0.1 USER MOD Set 2.1: A 28 HIS : no HD1:sc= 0.668 K(o=0.67,f=-9.5!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 24 THR OG1 : rot -23:sc= 0.551 USER MOD Set 3.2: A 27 SER OG : rot -140:sc= 1.34 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0155 (180deg=-0.195) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -30:sc= 0.835 USER MOD Single : A 4 THR OG1 : rot 143:sc= 0.0898 USER MOD Single : A 10 THR OG1 : rot 81:sc= 1.17 USER MOD Single : A 15 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 16 CYS SG : rot -120:sc= -3.27! USER MOD Single : A 22 THR OG1 : rot -52:sc= 0.569 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 0.0937 (180deg=0.0484) USER MOD Single : A 54 LYS NZ :NH3+ 138:sc= -1.04 (180deg=-3.49!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 66:sc= 0.974 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 65 ASN : amide:sc= 0.741 K(o=0.74,f=-0.0071) USER MOD Single : A 68 LYS NZ :NH3+ -148:sc= 0.682 (180deg=0.144) USER MOD Single : A 70 THR OG1 : rot 83:sc= 1.14 USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0.596 (180deg=0.556) USER MOD Single : A 79 ASN : amide:sc= -3.63! C(o=-3.6!,f=-7.9!) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -1.38 (180deg=-1.63) USER MOD Single : A 96 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=-0.001) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -0.42 K(o=-0.42,f=-1.5!) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.639 2.604 4.160 1.00 0.00 N ATOM 2 CA MET A 1 -13.907 1.315 4.194 1.00 0.00 C ATOM 3 C MET A 1 -12.516 1.522 4.815 1.00 0.00 C ATOM 4 O MET A 1 -11.979 2.634 4.775 1.00 0.00 O ATOM 5 CB MET A 1 -13.804 0.730 2.764 1.00 0.00 C ATOM 6 CG MET A 1 -15.161 0.456 2.089 1.00 0.00 C ATOM 7 SD MET A 1 -14.998 -0.220 0.421 1.00 0.00 S ATOM 8 CE MET A 1 -16.718 -0.336 -0.090 1.00 0.00 C ATOM 0 H1 MET A 1 -15.587 2.476 4.568 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.118 3.314 4.713 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.726 2.928 3.176 1.00 0.00 H new ATOM 0 HA MET A 1 -14.451 0.601 4.812 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.236 1.421 2.142 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.238 -0.201 2.805 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.732 -0.241 2.703 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.732 1.383 2.045 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.771 -0.738 -1.102 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.256 -0.995 0.591 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.171 0.655 -0.070 1.00 0.00 H new ATOM 20 N THR A 2 -11.941 0.443 5.388 1.00 0.00 N ATOM 21 CA THR A 2 -10.671 0.506 6.151 1.00 0.00 C ATOM 22 C THR A 2 -9.751 -0.690 5.809 1.00 0.00 C ATOM 23 O THR A 2 -8.946 -1.122 6.649 1.00 0.00 O ATOM 24 CB THR A 2 -10.960 0.534 7.697 1.00 0.00 C ATOM 25 OG1 THR A 2 -11.842 -0.542 8.049 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.572 1.859 8.177 1.00 0.00 C ATOM 0 H THR A 2 -12.341 -0.494 5.336 1.00 0.00 H new ATOM 0 HA THR A 2 -10.158 1.425 5.866 1.00 0.00 H new ATOM 0 HB THR A 2 -9.995 0.424 8.192 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.016 -0.520 9.013 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.746 1.811 9.252 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.887 2.677 7.957 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.518 2.030 7.663 1.00 0.00 H new ATOM 34 N SER A 3 -9.846 -1.194 4.560 1.00 0.00 N ATOM 35 CA SER A 3 -9.001 -2.316 4.084 1.00 0.00 C ATOM 36 C SER A 3 -7.552 -1.834 3.822 1.00 0.00 C ATOM 37 O SER A 3 -7.237 -0.658 4.053 1.00 0.00 O ATOM 38 CB SER A 3 -9.618 -2.968 2.817 1.00 0.00 C ATOM 39 OG SER A 3 -9.682 -2.062 1.740 1.00 0.00 O ATOM 0 H SER A 3 -10.500 -0.843 3.860 1.00 0.00 H new ATOM 0 HA SER A 3 -8.964 -3.077 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.023 -3.835 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.620 -3.331 3.046 1.00 0.00 H new ATOM 0 HG SER A 3 -9.793 -1.151 2.085 1.00 0.00 H new ATOM 45 N THR A 4 -6.685 -2.752 3.341 1.00 0.00 N ATOM 46 CA THR A 4 -5.239 -2.494 3.164 1.00 0.00 C ATOM 47 C THR A 4 -4.972 -1.229 2.321 1.00 0.00 C ATOM 48 O THR A 4 -4.219 -0.368 2.756 1.00 0.00 O ATOM 49 CB THR A 4 -4.516 -3.729 2.537 1.00 0.00 C ATOM 50 OG1 THR A 4 -4.751 -4.887 3.358 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.000 -3.517 2.396 1.00 0.00 C ATOM 0 H THR A 4 -6.968 -3.692 3.065 1.00 0.00 H new ATOM 0 HA THR A 4 -4.829 -2.320 4.159 1.00 0.00 H new ATOM 0 HB THR A 4 -4.925 -3.869 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.853 -5.677 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.548 -4.405 1.955 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.811 -2.657 1.754 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.565 -3.338 3.379 1.00 0.00 H new ATOM 59 N PHE A 5 -5.649 -1.100 1.156 1.00 0.00 N ATOM 60 CA PHE A 5 -5.516 0.091 0.277 1.00 0.00 C ATOM 61 C PHE A 5 -5.843 1.395 1.034 1.00 0.00 C ATOM 62 O PHE A 5 -5.107 2.380 0.920 1.00 0.00 O ATOM 63 CB PHE A 5 -6.414 -0.035 -0.990 1.00 0.00 C ATOM 64 CG PHE A 5 -6.613 1.288 -1.757 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.581 1.847 -2.514 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.823 1.997 -1.675 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.748 3.064 -3.149 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.984 3.208 -2.321 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.948 3.741 -3.057 1.00 0.00 C ATOM 0 H PHE A 5 -6.294 -1.806 0.801 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.475 0.135 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.972 -0.770 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.389 -0.421 -0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.641 1.322 -2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.640 1.589 -1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.935 3.487 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.923 3.737 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.075 4.688 -3.561 1.00 0.00 H new ATOM 79 N ASP A 6 -6.957 1.377 1.791 1.00 0.00 N ATOM 80 CA ASP A 6 -7.448 2.555 2.538 1.00 0.00 C ATOM 81 C ASP A 6 -6.399 3.034 3.541 1.00 0.00 C ATOM 82 O ASP A 6 -6.099 4.232 3.619 1.00 0.00 O ATOM 83 CB ASP A 6 -8.771 2.236 3.275 1.00 0.00 C ATOM 84 CG ASP A 6 -9.907 1.864 2.315 1.00 0.00 C ATOM 85 OD1 ASP A 6 -10.465 2.771 1.663 1.00 0.00 O ATOM 86 OD2 ASP A 6 -10.249 0.670 2.207 1.00 0.00 O ATOM 0 H ASP A 6 -7.542 0.549 1.903 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.636 3.349 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.605 1.414 3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.070 3.101 3.868 1.00 0.00 H new ATOM 91 N ARG A 7 -5.821 2.062 4.252 1.00 0.00 N ATOM 92 CA ARG A 7 -4.773 2.294 5.252 1.00 0.00 C ATOM 93 C ARG A 7 -3.493 2.851 4.598 1.00 0.00 C ATOM 94 O ARG A 7 -2.948 3.841 5.078 1.00 0.00 O ATOM 95 CB ARG A 7 -4.460 0.978 5.998 1.00 0.00 C ATOM 96 CG ARG A 7 -5.644 0.345 6.760 1.00 0.00 C ATOM 97 CD ARG A 7 -6.075 1.171 7.983 1.00 0.00 C ATOM 98 NE ARG A 7 -7.124 0.487 8.771 1.00 0.00 N ATOM 99 CZ ARG A 7 -7.740 0.998 9.852 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.499 2.243 10.240 1.00 0.00 N ATOM 101 NH2 ARG A 7 -8.595 0.248 10.533 1.00 0.00 N ATOM 0 H ARG A 7 -6.071 1.078 4.148 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.137 3.035 5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.086 0.252 5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.654 1.166 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.491 0.239 6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.367 -0.658 7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.209 1.358 8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.444 2.142 7.653 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.402 -0.447 8.470 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.842 2.822 9.717 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.971 2.622 11.061 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.782 -0.710 10.236 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.066 0.629 11.354 1.00 0.00 H new ATOM 115 N VAL A 8 -3.065 2.239 3.466 1.00 0.00 N ATOM 116 CA VAL A 8 -1.803 2.593 2.766 1.00 0.00 C ATOM 117 C VAL A 8 -1.882 4.022 2.206 1.00 0.00 C ATOM 118 O VAL A 8 -0.943 4.800 2.338 1.00 0.00 O ATOM 119 CB VAL A 8 -1.494 1.590 1.584 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.284 2.047 0.724 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.252 0.168 2.116 1.00 0.00 C ATOM 0 H VAL A 8 -3.584 1.487 3.012 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.998 2.528 3.498 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.375 1.585 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.112 1.325 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.494 3.025 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.605 2.112 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.042 -0.502 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.403 0.175 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.140 -0.179 2.645 1.00 0.00 H new ATOM 131 N ALA A 9 -3.032 4.341 1.598 1.00 0.00 N ATOM 132 CA ALA A 9 -3.306 5.651 0.983 1.00 0.00 C ATOM 133 C ALA A 9 -3.261 6.773 2.033 1.00 0.00 C ATOM 134 O ALA A 9 -2.747 7.864 1.764 1.00 0.00 O ATOM 135 CB ALA A 9 -4.670 5.626 0.276 1.00 0.00 C ATOM 0 H ALA A 9 -3.811 3.688 1.517 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.530 5.854 0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.864 6.599 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.664 4.861 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.452 5.401 1.001 1.00 0.00 H new ATOM 141 N THR A 10 -3.830 6.475 3.220 1.00 0.00 N ATOM 142 CA THR A 10 -3.810 7.373 4.387 1.00 0.00 C ATOM 143 C THR A 10 -2.371 7.604 4.890 1.00 0.00 C ATOM 144 O THR A 10 -1.990 8.733 5.196 1.00 0.00 O ATOM 145 CB THR A 10 -4.713 6.809 5.537 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.047 6.621 5.039 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.766 7.734 6.771 1.00 0.00 C ATOM 0 H THR A 10 -4.319 5.597 3.394 1.00 0.00 H new ATOM 0 HA THR A 10 -4.213 8.336 4.073 1.00 0.00 H new ATOM 0 HB THR A 10 -4.272 5.865 5.857 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.096 5.776 4.545 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.407 7.289 7.532 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.761 7.863 7.173 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.168 8.705 6.481 1.00 0.00 H new ATOM 155 N ILE A 11 -1.576 6.517 4.941 1.00 0.00 N ATOM 156 CA ILE A 11 -0.145 6.567 5.310 1.00 0.00 C ATOM 157 C ILE A 11 0.645 7.480 4.350 1.00 0.00 C ATOM 158 O ILE A 11 1.346 8.382 4.802 1.00 0.00 O ATOM 159 CB ILE A 11 0.478 5.114 5.327 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.175 4.261 6.460 1.00 0.00 C ATOM 161 CG2 ILE A 11 2.023 5.140 5.463 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.168 2.777 6.438 1.00 0.00 C ATOM 0 H ILE A 11 -1.908 5.577 4.727 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.073 6.987 6.313 1.00 0.00 H new ATOM 0 HB ILE A 11 0.258 4.648 4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.128 4.673 7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.258 4.368 6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.405 4.119 5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.453 5.683 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.298 5.637 6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.335 2.275 7.265 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.161 2.341 5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.246 2.651 6.539 1.00 0.00 H new ATOM 174 N ILE A 12 0.486 7.249 3.033 1.00 0.00 N ATOM 175 CA ILE A 12 1.184 8.012 1.978 1.00 0.00 C ATOM 176 C ILE A 12 0.829 9.514 2.070 1.00 0.00 C ATOM 177 O ILE A 12 1.699 10.372 1.934 1.00 0.00 O ATOM 178 CB ILE A 12 0.838 7.444 0.542 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.354 5.977 0.397 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.383 8.339 -0.601 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.109 5.327 -0.961 1.00 0.00 C ATOM 0 H ILE A 12 -0.133 6.525 2.668 1.00 0.00 H new ATOM 0 HA ILE A 12 2.257 7.900 2.134 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.248 7.448 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.425 5.965 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.879 5.366 1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.117 7.902 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.948 9.335 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.468 8.410 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.505 4.312 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.038 5.298 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.608 5.907 -1.737 1.00 0.00 H new ATOM 193 N ALA A 13 -0.464 9.796 2.304 1.00 0.00 N ATOM 194 CA ALA A 13 -0.973 11.159 2.560 1.00 0.00 C ATOM 195 C ALA A 13 -0.269 11.845 3.755 1.00 0.00 C ATOM 196 O ALA A 13 0.243 12.966 3.623 1.00 0.00 O ATOM 197 CB ALA A 13 -2.488 11.107 2.796 1.00 0.00 C ATOM 0 H ALA A 13 -1.192 9.082 2.321 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.753 11.760 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.862 12.113 2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.980 10.697 1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.701 10.474 3.657 1.00 0.00 H new ATOM 203 N GLU A 14 -0.245 11.150 4.909 1.00 0.00 N ATOM 204 CA GLU A 14 0.340 11.666 6.162 1.00 0.00 C ATOM 205 C GLU A 14 1.880 11.777 6.089 1.00 0.00 C ATOM 206 O GLU A 14 2.483 12.528 6.865 1.00 0.00 O ATOM 207 CB GLU A 14 -0.088 10.782 7.368 1.00 0.00 C ATOM 208 CG GLU A 14 -1.599 10.783 7.659 1.00 0.00 C ATOM 209 CD GLU A 14 -1.964 10.001 8.935 1.00 0.00 C ATOM 210 OE1 GLU A 14 -1.861 10.579 10.043 1.00 0.00 O ATOM 211 OE2 GLU A 14 -2.327 8.806 8.849 1.00 0.00 O ATOM 0 H GLU A 14 -0.633 10.211 4.999 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.047 12.675 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.232 9.757 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.440 11.124 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.944 11.812 7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.128 10.350 6.810 1.00 0.00 H new ATOM 218 N THR A 15 2.513 11.015 5.180 1.00 0.00 N ATOM 219 CA THR A 15 3.974 11.060 4.984 1.00 0.00 C ATOM 220 C THR A 15 4.372 12.201 4.015 1.00 0.00 C ATOM 221 O THR A 15 5.219 13.038 4.342 1.00 0.00 O ATOM 222 CB THR A 15 4.522 9.682 4.459 1.00 0.00 C ATOM 223 OG1 THR A 15 4.037 8.621 5.304 1.00 0.00 O ATOM 224 CG2 THR A 15 6.064 9.629 4.440 1.00 0.00 C ATOM 0 H THR A 15 2.033 10.357 4.566 1.00 0.00 H new ATOM 0 HA THR A 15 4.427 11.260 5.955 1.00 0.00 H new ATOM 0 HB THR A 15 4.168 9.564 3.435 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.114 8.404 5.059 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.390 8.657 4.070 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.447 10.413 3.787 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.446 9.779 5.450 1.00 0.00 H new ATOM 232 N CYS A 16 3.728 12.259 2.837 1.00 0.00 N ATOM 233 CA CYS A 16 4.157 13.116 1.705 1.00 0.00 C ATOM 234 C CYS A 16 3.349 14.430 1.576 1.00 0.00 C ATOM 235 O CYS A 16 3.545 15.158 0.592 1.00 0.00 O ATOM 236 CB CYS A 16 4.040 12.300 0.398 1.00 0.00 C ATOM 237 SG CYS A 16 5.133 10.865 0.348 1.00 0.00 S ATOM 0 H CYS A 16 2.891 11.712 2.637 1.00 0.00 H new ATOM 0 HA CYS A 16 5.187 13.415 1.898 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.009 11.967 0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.266 12.949 -0.448 1.00 0.00 H new ATOM 0 HG CYS A 16 5.944 10.972 -0.662 1.00 0.00 H new ATOM 243 N ASP A 17 2.472 14.731 2.571 1.00 0.00 N ATOM 244 CA ASP A 17 1.634 15.963 2.606 1.00 0.00 C ATOM 245 C ASP A 17 0.808 16.140 1.298 1.00 0.00 C ATOM 246 O ASP A 17 1.046 17.048 0.489 1.00 0.00 O ATOM 247 CB ASP A 17 2.517 17.210 2.939 1.00 0.00 C ATOM 248 CG ASP A 17 1.709 18.509 3.124 1.00 0.00 C ATOM 249 OD1 ASP A 17 0.923 18.595 4.095 1.00 0.00 O ATOM 250 OD2 ASP A 17 1.868 19.459 2.321 1.00 0.00 O ATOM 0 H ASP A 17 2.325 14.123 3.377 1.00 0.00 H new ATOM 0 HA ASP A 17 0.901 15.859 3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.082 17.011 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.243 17.355 2.139 1.00 0.00 H new ATOM 255 N ILE A 18 -0.124 15.196 1.078 1.00 0.00 N ATOM 256 CA ILE A 18 -1.000 15.156 -0.117 1.00 0.00 C ATOM 257 C ILE A 18 -2.419 14.710 0.301 1.00 0.00 C ATOM 258 O ILE A 18 -2.552 13.922 1.237 1.00 0.00 O ATOM 259 CB ILE A 18 -0.431 14.186 -1.242 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.050 12.830 -0.626 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.697 14.868 -2.051 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.499 11.788 -1.638 1.00 0.00 C ATOM 0 H ILE A 18 -0.296 14.429 1.729 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.035 16.159 -0.542 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.244 13.965 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.876 13.031 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.761 12.411 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.066 14.180 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.309 15.766 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.513 15.139 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.813 10.885 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.328 11.551 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.334 12.181 -2.218 1.00 0.00 H new ATOM 274 N PRO A 19 -3.507 15.230 -0.375 1.00 0.00 N ATOM 275 CA PRO A 19 -4.902 14.800 -0.102 1.00 0.00 C ATOM 276 C PRO A 19 -5.113 13.315 -0.456 1.00 0.00 C ATOM 277 O PRO A 19 -5.027 12.933 -1.621 1.00 0.00 O ATOM 278 CB PRO A 19 -5.762 15.742 -0.995 1.00 0.00 C ATOM 279 CG PRO A 19 -4.829 16.187 -2.080 1.00 0.00 C ATOM 280 CD PRO A 19 -3.463 16.278 -1.432 1.00 0.00 C ATOM 0 HA PRO A 19 -5.169 14.874 0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.627 15.220 -1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.142 16.590 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.824 15.478 -2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.134 17.151 -2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.665 16.090 -2.150 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.285 17.267 -1.009 1.00 0.00 H new ATOM 288 N ARG A 20 -5.381 12.499 0.579 1.00 0.00 N ATOM 289 CA ARG A 20 -5.569 11.035 0.462 1.00 0.00 C ATOM 290 C ARG A 20 -6.638 10.640 -0.585 1.00 0.00 C ATOM 291 O ARG A 20 -6.527 9.584 -1.220 1.00 0.00 O ATOM 292 CB ARG A 20 -5.914 10.446 1.872 1.00 0.00 C ATOM 293 CG ARG A 20 -6.149 8.902 1.923 1.00 0.00 C ATOM 294 CD ARG A 20 -7.631 8.481 1.858 1.00 0.00 C ATOM 295 NE ARG A 20 -7.794 7.099 1.374 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.644 6.193 1.850 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.257 6.361 3.014 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.836 5.092 1.157 1.00 0.00 N ATOM 0 H ARG A 20 -5.475 12.839 1.536 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.633 10.608 0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.103 10.694 2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.810 10.944 2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.615 8.438 1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.713 8.510 2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.077 8.573 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.172 9.161 1.200 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.198 6.809 0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.081 7.200 3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.904 5.651 3.357 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.339 4.949 0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.482 4.381 1.499 1.00 0.00 H new ATOM 312 N GLU A 21 -7.638 11.508 -0.786 1.00 0.00 N ATOM 313 CA GLU A 21 -8.798 11.217 -1.647 1.00 0.00 C ATOM 314 C GLU A 21 -8.415 11.218 -3.140 1.00 0.00 C ATOM 315 O GLU A 21 -9.041 10.516 -3.946 1.00 0.00 O ATOM 316 CB GLU A 21 -9.926 12.242 -1.392 1.00 0.00 C ATOM 317 CG GLU A 21 -9.553 13.704 -1.721 1.00 0.00 C ATOM 318 CD GLU A 21 -10.758 14.646 -1.650 1.00 0.00 C ATOM 319 OE1 GLU A 21 -11.093 15.123 -0.543 1.00 0.00 O ATOM 320 OE2 GLU A 21 -11.400 14.887 -2.694 1.00 0.00 O ATOM 0 H GLU A 21 -7.668 12.433 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.152 10.218 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.796 11.960 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.222 12.183 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.787 14.046 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.119 13.749 -2.720 1.00 0.00 H new ATOM 327 N THR A 22 -7.363 11.994 -3.497 1.00 0.00 N ATOM 328 CA THR A 22 -6.906 12.129 -4.894 1.00 0.00 C ATOM 329 C THR A 22 -6.006 10.936 -5.293 1.00 0.00 C ATOM 330 O THR A 22 -5.610 10.805 -6.460 1.00 0.00 O ATOM 331 CB THR A 22 -6.155 13.489 -5.124 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.990 13.581 -4.286 1.00 0.00 O ATOM 333 CG2 THR A 22 -7.065 14.705 -4.848 1.00 0.00 C ATOM 0 H THR A 22 -6.815 12.537 -2.830 1.00 0.00 H new ATOM 0 HA THR A 22 -7.790 12.125 -5.532 1.00 0.00 H new ATOM 0 HB THR A 22 -5.858 13.505 -6.173 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.241 13.399 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.505 15.625 -5.019 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.926 14.674 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.407 14.676 -3.814 1.00 0.00 H new ATOM 341 N ILE A 23 -5.696 10.063 -4.310 1.00 0.00 N ATOM 342 CA ILE A 23 -4.963 8.817 -4.532 1.00 0.00 C ATOM 343 C ILE A 23 -5.999 7.740 -4.920 1.00 0.00 C ATOM 344 O ILE A 23 -6.888 7.407 -4.134 1.00 0.00 O ATOM 345 CB ILE A 23 -4.144 8.386 -3.232 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.854 9.263 -3.015 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.775 6.887 -3.255 1.00 0.00 C ATOM 348 CD1 ILE A 23 -3.085 10.732 -2.716 1.00 0.00 C ATOM 0 H ILE A 23 -5.954 10.213 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.230 8.946 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.810 8.562 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.281 8.832 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.235 9.189 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.218 6.635 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.685 6.289 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.161 6.677 -4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.125 11.232 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.625 11.191 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.671 10.830 -1.802 1.00 0.00 H new ATOM 360 N THR A 24 -5.921 7.270 -6.161 1.00 0.00 N ATOM 361 CA THR A 24 -6.735 6.155 -6.667 1.00 0.00 C ATOM 362 C THR A 24 -5.932 4.838 -6.539 1.00 0.00 C ATOM 363 O THR A 24 -4.714 4.886 -6.303 1.00 0.00 O ATOM 364 CB THR A 24 -7.141 6.433 -8.161 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.961 6.531 -8.985 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.976 7.725 -8.288 1.00 0.00 C ATOM 0 H THR A 24 -5.283 7.654 -6.858 1.00 0.00 H new ATOM 0 HA THR A 24 -7.649 6.061 -6.080 1.00 0.00 H new ATOM 0 HB THR A 24 -7.754 5.598 -8.501 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.191 6.769 -8.427 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.239 7.887 -9.333 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.886 7.630 -7.695 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.393 8.572 -7.925 1.00 0.00 H new ATOM 374 N PRO A 25 -6.583 3.630 -6.673 1.00 0.00 N ATOM 375 CA PRO A 25 -5.856 2.341 -6.724 1.00 0.00 C ATOM 376 C PRO A 25 -4.907 2.251 -7.936 1.00 0.00 C ATOM 377 O PRO A 25 -3.959 1.470 -7.923 1.00 0.00 O ATOM 378 CB PRO A 25 -6.988 1.273 -6.790 1.00 0.00 C ATOM 379 CG PRO A 25 -8.183 2.015 -7.297 1.00 0.00 C ATOM 380 CD PRO A 25 -8.057 3.407 -6.724 1.00 0.00 C ATOM 0 HA PRO A 25 -5.203 2.204 -5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.720 0.453 -7.456 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.179 0.838 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.199 2.038 -8.387 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.109 1.538 -6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.553 4.146 -7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.508 3.476 -5.734 1.00 0.00 H new ATOM 388 N GLU A 26 -5.125 3.109 -8.953 1.00 0.00 N ATOM 389 CA GLU A 26 -4.341 3.091 -10.196 1.00 0.00 C ATOM 390 C GLU A 26 -3.172 4.104 -10.115 1.00 0.00 C ATOM 391 O GLU A 26 -2.388 4.230 -11.066 1.00 0.00 O ATOM 392 CB GLU A 26 -5.267 3.430 -11.392 1.00 0.00 C ATOM 393 CG GLU A 26 -6.557 2.584 -11.478 1.00 0.00 C ATOM 394 CD GLU A 26 -6.299 1.064 -11.548 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.832 0.575 -12.603 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.559 0.352 -10.554 1.00 0.00 O ATOM 0 H GLU A 26 -5.847 3.829 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.918 2.096 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.544 4.482 -11.331 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.704 3.302 -12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.180 2.798 -10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.123 2.888 -12.359 1.00 0.00 H new ATOM 403 N SER A 27 -3.064 4.817 -8.967 1.00 0.00 N ATOM 404 CA SER A 27 -2.020 5.831 -8.748 1.00 0.00 C ATOM 405 C SER A 27 -0.663 5.164 -8.563 1.00 0.00 C ATOM 406 O SER A 27 -0.505 4.284 -7.711 1.00 0.00 O ATOM 407 CB SER A 27 -2.343 6.717 -7.522 1.00 0.00 C ATOM 408 OG SER A 27 -3.552 7.426 -7.715 1.00 0.00 O ATOM 0 H SER A 27 -3.697 4.702 -8.176 1.00 0.00 H new ATOM 0 HA SER A 27 -1.988 6.470 -9.631 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.420 6.096 -6.630 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.528 7.420 -7.352 1.00 0.00 H new ATOM 0 HG SER A 27 -3.457 8.336 -7.365 1.00 0.00 H new ATOM 414 N HIS A 28 0.291 5.570 -9.398 1.00 0.00 N ATOM 415 CA HIS A 28 1.684 5.196 -9.255 1.00 0.00 C ATOM 416 C HIS A 28 2.335 6.192 -8.285 1.00 0.00 C ATOM 417 O HIS A 28 2.248 7.405 -8.511 1.00 0.00 O ATOM 418 CB HIS A 28 2.386 5.241 -10.622 1.00 0.00 C ATOM 419 CG HIS A 28 3.701 4.505 -10.658 1.00 0.00 C ATOM 420 ND1 HIS A 28 4.799 4.915 -9.945 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.015 3.384 -11.324 1.00 0.00 C ATOM 422 CE1 HIS A 28 5.746 4.031 -10.205 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.321 3.087 -11.037 1.00 0.00 N ATOM 0 H HIS A 28 0.110 6.174 -10.200 1.00 0.00 H new ATOM 0 HA HIS A 28 1.771 4.180 -8.869 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.722 4.816 -11.375 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.556 6.282 -10.898 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.358 2.819 -11.969 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.743 4.071 -9.792 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.860 2.297 -11.392 1.00 0.00 H new ATOM 431 N ALA A 29 2.927 5.684 -7.194 1.00 0.00 N ATOM 432 CA ALA A 29 3.684 6.484 -6.216 1.00 0.00 C ATOM 433 C ALA A 29 4.660 7.470 -6.898 1.00 0.00 C ATOM 434 O ALA A 29 4.643 8.665 -6.619 1.00 0.00 O ATOM 435 CB ALA A 29 4.438 5.542 -5.251 1.00 0.00 C ATOM 0 H ALA A 29 2.894 4.691 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 29 2.974 7.088 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.998 6.135 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.722 4.910 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.127 4.916 -5.818 1.00 0.00 H new ATOM 441 N ILE A 30 5.406 6.985 -7.892 1.00 0.00 N ATOM 442 CA ILE A 30 6.543 7.729 -8.469 1.00 0.00 C ATOM 443 C ILE A 30 6.065 8.552 -9.679 1.00 0.00 C ATOM 444 O ILE A 30 6.326 9.759 -9.774 1.00 0.00 O ATOM 445 CB ILE A 30 7.698 6.747 -8.908 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.044 5.752 -7.750 1.00 0.00 C ATOM 447 CG2 ILE A 30 8.959 7.526 -9.375 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.070 4.688 -8.111 1.00 0.00 C ATOM 0 H ILE A 30 5.247 6.074 -8.322 1.00 0.00 H new ATOM 0 HA ILE A 30 6.938 8.399 -7.706 1.00 0.00 H new ATOM 0 HB ILE A 30 7.341 6.168 -9.760 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.416 6.322 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.127 5.259 -7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.735 6.819 -9.670 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.702 8.158 -10.225 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.326 8.147 -8.558 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.247 4.045 -7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.695 4.088 -8.940 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.004 5.168 -8.403 1.00 0.00 H new ATOM 460 N ASP A 31 5.314 7.886 -10.570 1.00 0.00 N ATOM 461 CA ASP A 31 4.906 8.444 -11.880 1.00 0.00 C ATOM 462 C ASP A 31 3.750 9.463 -11.751 1.00 0.00 C ATOM 463 O ASP A 31 3.723 10.467 -12.475 1.00 0.00 O ATOM 464 CB ASP A 31 4.520 7.287 -12.843 1.00 0.00 C ATOM 465 CG ASP A 31 3.968 7.759 -14.199 1.00 0.00 C ATOM 466 OD1 ASP A 31 4.747 8.287 -15.014 1.00 0.00 O ATOM 467 OD2 ASP A 31 2.751 7.615 -14.451 1.00 0.00 O ATOM 0 H ASP A 31 4.968 6.940 -10.406 1.00 0.00 H new ATOM 0 HA ASP A 31 5.756 8.989 -12.291 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.398 6.664 -13.017 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.774 6.658 -12.358 1.00 0.00 H new ATOM 472 N ASP A 32 2.797 9.209 -10.839 1.00 0.00 N ATOM 473 CA ASP A 32 1.634 10.104 -10.629 1.00 0.00 C ATOM 474 C ASP A 32 1.893 11.057 -9.458 1.00 0.00 C ATOM 475 O ASP A 32 1.888 12.278 -9.631 1.00 0.00 O ATOM 476 CB ASP A 32 0.328 9.291 -10.386 1.00 0.00 C ATOM 477 CG ASP A 32 -0.172 8.577 -11.652 1.00 0.00 C ATOM 478 OD1 ASP A 32 -0.932 9.188 -12.449 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.195 7.409 -11.876 1.00 0.00 O ATOM 0 H ASP A 32 2.804 8.390 -10.231 1.00 0.00 H new ATOM 0 HA ASP A 32 1.500 10.691 -11.537 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.505 8.553 -9.604 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.450 9.962 -10.021 1.00 0.00 H new ATOM 484 N LEU A 33 2.138 10.489 -8.262 1.00 0.00 N ATOM 485 CA LEU A 33 2.232 11.265 -7.004 1.00 0.00 C ATOM 486 C LEU A 33 3.576 12.033 -6.881 1.00 0.00 C ATOM 487 O LEU A 33 3.680 12.965 -6.080 1.00 0.00 O ATOM 488 CB LEU A 33 2.002 10.307 -5.794 1.00 0.00 C ATOM 489 CG LEU A 33 0.677 9.470 -5.832 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.591 8.497 -4.636 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.574 10.386 -5.914 1.00 0.00 C ATOM 0 H LEU A 33 2.276 9.486 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 33 1.455 12.029 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.844 9.617 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.010 10.899 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 33 0.697 8.868 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.340 7.932 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.436 7.809 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.616 9.062 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.474 9.771 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.604 11.039 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.523 10.991 -6.819 1.00 0.00 H new ATOM 503 N GLY A 34 4.578 11.650 -7.702 1.00 0.00 N ATOM 504 CA GLY A 34 5.898 12.305 -7.698 1.00 0.00 C ATOM 505 C GLY A 34 6.739 11.962 -6.470 1.00 0.00 C ATOM 506 O GLY A 34 7.466 12.809 -5.942 1.00 0.00 O ATOM 0 H GLY A 34 4.494 10.889 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.443 12.014 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.760 13.385 -7.745 1.00 0.00 H new ATOM 510 N ILE A 35 6.647 10.702 -6.037 1.00 0.00 N ATOM 511 CA ILE A 35 7.366 10.172 -4.862 1.00 0.00 C ATOM 512 C ILE A 35 8.642 9.472 -5.335 1.00 0.00 C ATOM 513 O ILE A 35 8.561 8.487 -6.061 1.00 0.00 O ATOM 514 CB ILE A 35 6.451 9.146 -4.081 1.00 0.00 C ATOM 515 CG1 ILE A 35 5.164 9.854 -3.557 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.204 8.426 -2.936 1.00 0.00 C ATOM 517 CD1 ILE A 35 4.125 8.936 -2.928 1.00 0.00 C ATOM 0 H ILE A 35 6.062 10.005 -6.497 1.00 0.00 H new ATOM 0 HA ILE A 35 7.621 10.992 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 35 6.159 8.370 -4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.456 10.603 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.699 10.387 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.528 7.734 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.049 7.874 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.566 9.163 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.271 9.526 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.796 8.202 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.564 8.422 -2.073 1.00 0.00 H new ATOM 529 N ASP A 36 9.811 9.993 -4.933 1.00 0.00 N ATOM 530 CA ASP A 36 11.118 9.376 -5.243 1.00 0.00 C ATOM 531 C ASP A 36 11.317 8.125 -4.359 1.00 0.00 C ATOM 532 O ASP A 36 10.610 7.943 -3.353 1.00 0.00 O ATOM 533 CB ASP A 36 12.266 10.415 -5.012 1.00 0.00 C ATOM 534 CG ASP A 36 13.636 9.982 -5.586 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.365 9.222 -4.916 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.978 10.380 -6.722 1.00 0.00 O ATOM 0 H ASP A 36 9.882 10.851 -4.386 1.00 0.00 H new ATOM 0 HA ASP A 36 11.143 9.071 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.979 11.364 -5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.372 10.591 -3.942 1.00 0.00 H new ATOM 541 N SER A 37 12.290 7.280 -4.736 1.00 0.00 N ATOM 542 CA SER A 37 12.647 6.057 -3.992 1.00 0.00 C ATOM 543 C SER A 37 13.013 6.371 -2.520 1.00 0.00 C ATOM 544 O SER A 37 12.709 5.573 -1.620 1.00 0.00 O ATOM 545 CB SER A 37 13.825 5.349 -4.696 1.00 0.00 C ATOM 546 OG SER A 37 13.539 5.125 -6.063 1.00 0.00 O ATOM 0 H SER A 37 12.856 7.426 -5.572 1.00 0.00 H new ATOM 0 HA SER A 37 11.778 5.399 -3.981 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.726 5.956 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.029 4.398 -4.203 1.00 0.00 H new ATOM 0 HG SER A 37 14.300 4.677 -6.487 1.00 0.00 H new ATOM 552 N LEU A 38 13.601 7.572 -2.276 1.00 0.00 N ATOM 553 CA LEU A 38 14.044 7.991 -0.931 1.00 0.00 C ATOM 554 C LEU A 38 12.835 8.336 -0.029 1.00 0.00 C ATOM 555 O LEU A 38 12.878 8.108 1.183 1.00 0.00 O ATOM 556 CB LEU A 38 15.091 9.162 -1.017 1.00 0.00 C ATOM 557 CG LEU A 38 14.719 10.460 -1.841 1.00 0.00 C ATOM 558 CD1 LEU A 38 13.778 11.418 -1.081 1.00 0.00 C ATOM 559 CD2 LEU A 38 15.989 11.206 -2.315 1.00 0.00 C ATOM 0 H LEU A 38 13.777 8.266 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 38 14.555 7.151 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.322 9.473 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 38 16.008 8.754 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 38 14.168 10.111 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.563 12.287 -1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.847 10.902 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.258 11.743 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.701 12.093 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.581 11.502 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.581 10.548 -2.952 1.00 0.00 H new ATOM 571 N ASP A 39 11.761 8.869 -0.644 1.00 0.00 N ATOM 572 CA ASP A 39 10.501 9.181 0.064 1.00 0.00 C ATOM 573 C ASP A 39 9.781 7.889 0.427 1.00 0.00 C ATOM 574 O ASP A 39 9.254 7.746 1.537 1.00 0.00 O ATOM 575 CB ASP A 39 9.557 10.047 -0.806 1.00 0.00 C ATOM 576 CG ASP A 39 10.157 11.386 -1.229 1.00 0.00 C ATOM 577 OD1 ASP A 39 10.252 12.295 -0.387 1.00 0.00 O ATOM 578 OD2 ASP A 39 10.531 11.534 -2.409 1.00 0.00 O ATOM 0 H ASP A 39 11.741 9.095 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 39 10.759 9.741 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.284 9.484 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.637 10.232 -0.252 1.00 0.00 H new ATOM 583 N PHE A 40 9.801 6.939 -0.526 1.00 0.00 N ATOM 584 CA PHE A 40 9.095 5.664 -0.402 1.00 0.00 C ATOM 585 C PHE A 40 9.737 4.771 0.692 1.00 0.00 C ATOM 586 O PHE A 40 9.079 3.869 1.205 1.00 0.00 O ATOM 587 CB PHE A 40 9.047 4.942 -1.773 1.00 0.00 C ATOM 588 CG PHE A 40 7.988 3.842 -1.845 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.674 4.144 -2.198 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.302 2.512 -1.554 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.713 3.157 -2.257 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.337 1.527 -1.614 1.00 0.00 C ATOM 593 CZ PHE A 40 6.046 1.850 -1.972 1.00 0.00 C ATOM 0 H PHE A 40 10.311 7.041 -1.404 1.00 0.00 H new ATOM 0 HA PHE A 40 8.070 5.865 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.851 5.676 -2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.025 4.508 -1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.405 5.164 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.313 2.251 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.698 3.408 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.593 0.504 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.293 1.077 -2.029 1.00 0.00 H new ATOM 603 N LEU A 41 11.028 5.025 1.027 1.00 0.00 N ATOM 604 CA LEU A 41 11.704 4.386 2.192 1.00 0.00 C ATOM 605 C LEU A 41 10.904 4.644 3.488 1.00 0.00 C ATOM 606 O LEU A 41 10.567 3.718 4.228 1.00 0.00 O ATOM 607 CB LEU A 41 13.145 4.944 2.383 1.00 0.00 C ATOM 608 CG LEU A 41 14.150 4.727 1.217 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.520 5.348 1.563 1.00 0.00 C ATOM 610 CD2 LEU A 41 14.286 3.235 0.851 1.00 0.00 C ATOM 0 H LEU A 41 11.625 5.669 0.507 1.00 0.00 H new ATOM 0 HA LEU A 41 11.755 3.316 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.071 6.015 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.566 4.492 3.281 1.00 0.00 H new ATOM 0 HG LEU A 41 13.757 5.235 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.212 5.187 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.402 6.418 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.915 4.878 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.997 3.125 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.642 2.679 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.315 2.846 0.544 1.00 0.00 H new ATOM 622 N ASP A 42 10.591 5.929 3.702 1.00 0.00 N ATOM 623 CA ASP A 42 9.883 6.421 4.901 1.00 0.00 C ATOM 624 C ASP A 42 8.413 5.995 4.886 1.00 0.00 C ATOM 625 O ASP A 42 7.836 5.711 5.938 1.00 0.00 O ATOM 626 CB ASP A 42 10.002 7.958 4.994 1.00 0.00 C ATOM 627 CG ASP A 42 11.462 8.411 5.124 1.00 0.00 C ATOM 628 OD1 ASP A 42 11.961 8.526 6.261 1.00 0.00 O ATOM 629 OD2 ASP A 42 12.126 8.620 4.090 1.00 0.00 O ATOM 0 H ASP A 42 10.824 6.670 3.040 1.00 0.00 H new ATOM 0 HA ASP A 42 10.350 5.978 5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.559 8.411 4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.433 8.315 5.852 1.00 0.00 H new ATOM 634 N ILE A 43 7.824 5.949 3.680 1.00 0.00 N ATOM 635 CA ILE A 43 6.459 5.430 3.481 1.00 0.00 C ATOM 636 C ILE A 43 6.401 3.933 3.843 1.00 0.00 C ATOM 637 O ILE A 43 5.475 3.498 4.525 1.00 0.00 O ATOM 638 CB ILE A 43 5.969 5.635 1.998 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.933 7.152 1.637 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.593 4.966 1.743 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.463 7.468 0.227 1.00 0.00 C ATOM 0 H ILE A 43 8.275 6.267 2.822 1.00 0.00 H new ATOM 0 HA ILE A 43 5.795 5.992 4.138 1.00 0.00 H new ATOM 0 HB ILE A 43 6.688 5.142 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.279 7.662 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.933 7.565 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.294 5.132 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.669 3.895 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.848 5.400 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.473 8.547 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.129 6.993 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.450 7.091 0.088 1.00 0.00 H new ATOM 653 N ALA A 44 7.429 3.179 3.413 1.00 0.00 N ATOM 654 CA ALA A 44 7.507 1.720 3.606 1.00 0.00 C ATOM 655 C ALA A 44 7.721 1.380 5.091 1.00 0.00 C ATOM 656 O ALA A 44 7.204 0.388 5.573 1.00 0.00 O ATOM 657 CB ALA A 44 8.638 1.121 2.746 1.00 0.00 C ATOM 0 H ALA A 44 8.233 3.567 2.919 1.00 0.00 H new ATOM 0 HA ALA A 44 6.562 1.281 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.681 0.043 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.444 1.329 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.590 1.567 3.034 1.00 0.00 H new ATOM 663 N PHE A 45 8.506 2.221 5.788 1.00 0.00 N ATOM 664 CA PHE A 45 8.740 2.119 7.249 1.00 0.00 C ATOM 665 C PHE A 45 7.415 2.335 8.021 1.00 0.00 C ATOM 666 O PHE A 45 7.103 1.614 8.983 1.00 0.00 O ATOM 667 CB PHE A 45 9.810 3.169 7.673 1.00 0.00 C ATOM 668 CG PHE A 45 10.308 3.050 9.123 1.00 0.00 C ATOM 669 CD1 PHE A 45 9.638 3.674 10.176 1.00 0.00 C ATOM 670 CD2 PHE A 45 11.459 2.325 9.427 1.00 0.00 C ATOM 671 CE1 PHE A 45 10.096 3.573 11.473 1.00 0.00 C ATOM 672 CE2 PHE A 45 11.919 2.228 10.726 1.00 0.00 C ATOM 673 CZ PHE A 45 11.239 2.852 11.749 1.00 0.00 C ATOM 0 H PHE A 45 9.002 2.999 5.354 1.00 0.00 H new ATOM 0 HA PHE A 45 9.109 1.122 7.491 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.666 3.082 7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.394 4.166 7.530 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.745 4.246 9.972 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.000 1.831 8.634 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.559 4.059 12.274 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.813 1.662 10.940 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.600 2.777 12.764 1.00 0.00 H new ATOM 683 N ALA A 46 6.642 3.331 7.565 1.00 0.00 N ATOM 684 CA ALA A 46 5.348 3.693 8.171 1.00 0.00 C ATOM 685 C ALA A 46 4.302 2.573 7.963 1.00 0.00 C ATOM 686 O ALA A 46 3.558 2.225 8.883 1.00 0.00 O ATOM 687 CB ALA A 46 4.860 5.020 7.586 1.00 0.00 C ATOM 0 H ALA A 46 6.895 3.910 6.765 1.00 0.00 H new ATOM 0 HA ALA A 46 5.484 3.812 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.903 5.286 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.590 5.801 7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.739 4.919 6.507 1.00 0.00 H new ATOM 693 N ILE A 47 4.287 2.006 6.748 1.00 0.00 N ATOM 694 CA ILE A 47 3.429 0.860 6.388 1.00 0.00 C ATOM 695 C ILE A 47 3.822 -0.393 7.194 1.00 0.00 C ATOM 696 O ILE A 47 2.957 -1.109 7.701 1.00 0.00 O ATOM 697 CB ILE A 47 3.535 0.559 4.844 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.899 1.706 3.993 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.908 -0.806 4.480 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.076 1.568 2.482 1.00 0.00 C ATOM 0 H ILE A 47 4.874 2.330 5.979 1.00 0.00 H new ATOM 0 HA ILE A 47 2.398 1.120 6.630 1.00 0.00 H new ATOM 0 HB ILE A 47 4.597 0.509 4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.833 1.754 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.333 2.655 4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.002 -0.975 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.426 -1.599 5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.854 -0.807 4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.600 2.411 1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.139 1.554 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.615 0.639 2.145 1.00 0.00 H new ATOM 712 N ASP A 48 5.145 -0.612 7.291 1.00 0.00 N ATOM 713 CA ASP A 48 5.767 -1.776 7.958 1.00 0.00 C ATOM 714 C ASP A 48 5.187 -1.977 9.367 1.00 0.00 C ATOM 715 O ASP A 48 4.655 -3.039 9.698 1.00 0.00 O ATOM 716 CB ASP A 48 7.299 -1.528 8.042 1.00 0.00 C ATOM 717 CG ASP A 48 8.131 -2.731 8.503 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.568 -3.511 7.633 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.375 -2.893 9.725 1.00 0.00 O ATOM 0 H ASP A 48 5.832 0.031 6.898 1.00 0.00 H new ATOM 0 HA ASP A 48 5.559 -2.678 7.383 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.655 -1.215 7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.480 -0.698 8.725 1.00 0.00 H new ATOM 724 N LYS A 49 5.246 -0.901 10.167 1.00 0.00 N ATOM 725 CA LYS A 49 4.790 -0.926 11.566 1.00 0.00 C ATOM 726 C LYS A 49 3.255 -0.876 11.669 1.00 0.00 C ATOM 727 O LYS A 49 2.678 -1.566 12.520 1.00 0.00 O ATOM 728 CB LYS A 49 5.457 0.207 12.396 1.00 0.00 C ATOM 729 CG LYS A 49 6.919 -0.079 12.820 1.00 0.00 C ATOM 730 CD LYS A 49 7.940 -0.022 11.657 1.00 0.00 C ATOM 731 CE LYS A 49 9.351 -0.446 12.095 1.00 0.00 C ATOM 732 NZ LYS A 49 9.805 0.282 13.314 1.00 0.00 N ATOM 0 H LYS A 49 5.608 0.004 9.866 1.00 0.00 H new ATOM 0 HA LYS A 49 5.106 -1.877 11.994 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.435 1.128 11.813 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.861 0.383 13.291 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.212 0.643 13.582 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.965 -1.066 13.281 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.603 -0.671 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.976 0.992 11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.362 -1.519 12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.053 -0.262 11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.780 0.002 13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.771 1.307 13.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.181 0.046 14.112 1.00 0.00 H new ATOM 746 N ALA A 50 2.601 -0.074 10.804 1.00 0.00 N ATOM 747 CA ALA A 50 1.126 0.070 10.802 1.00 0.00 C ATOM 748 C ALA A 50 0.399 -1.278 10.594 1.00 0.00 C ATOM 749 O ALA A 50 -0.578 -1.576 11.283 1.00 0.00 O ATOM 750 CB ALA A 50 0.671 1.071 9.727 1.00 0.00 C ATOM 0 H ALA A 50 3.071 0.487 10.094 1.00 0.00 H new ATOM 0 HA ALA A 50 0.855 0.447 11.788 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.415 1.158 9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.117 2.046 9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.989 0.720 8.745 1.00 0.00 H new ATOM 756 N PHE A 51 0.878 -2.070 9.620 1.00 0.00 N ATOM 757 CA PHE A 51 0.320 -3.398 9.295 1.00 0.00 C ATOM 758 C PHE A 51 0.959 -4.521 10.117 1.00 0.00 C ATOM 759 O PHE A 51 0.453 -5.643 10.096 1.00 0.00 O ATOM 760 CB PHE A 51 0.471 -3.690 7.786 1.00 0.00 C ATOM 761 CG PHE A 51 -0.405 -2.799 6.921 1.00 0.00 C ATOM 762 CD1 PHE A 51 -1.707 -3.175 6.608 1.00 0.00 C ATOM 763 CD2 PHE A 51 0.068 -1.593 6.419 1.00 0.00 C ATOM 764 CE1 PHE A 51 -2.499 -2.375 5.821 1.00 0.00 C ATOM 765 CE2 PHE A 51 -0.727 -0.796 5.633 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.004 -1.192 5.331 1.00 0.00 C ATOM 0 H PHE A 51 1.668 -1.807 9.031 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.738 -3.371 9.556 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.514 -3.556 7.498 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.219 -4.733 7.596 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.100 -4.107 6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.075 -1.278 6.650 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.510 -2.676 5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.347 0.141 5.253 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.625 -0.569 4.704 1.00 0.00 H new ATOM 776 N GLY A 52 2.055 -4.216 10.836 1.00 0.00 N ATOM 777 CA GLY A 52 2.760 -5.222 11.643 1.00 0.00 C ATOM 778 C GLY A 52 3.322 -6.351 10.793 1.00 0.00 C ATOM 779 O GLY A 52 3.099 -7.538 11.074 1.00 0.00 O ATOM 0 H GLY A 52 2.468 -3.284 10.873 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.572 -4.742 12.190 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.076 -5.634 12.385 1.00 0.00 H new ATOM 783 N ILE A 53 4.010 -5.955 9.720 1.00 0.00 N ATOM 784 CA ILE A 53 4.668 -6.856 8.761 1.00 0.00 C ATOM 785 C ILE A 53 6.102 -6.383 8.525 1.00 0.00 C ATOM 786 O ILE A 53 6.467 -5.289 8.955 1.00 0.00 O ATOM 787 CB ILE A 53 3.903 -6.880 7.384 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.790 -5.451 6.757 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.509 -7.505 7.555 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.250 -5.429 5.348 1.00 0.00 C ATOM 0 H ILE A 53 4.130 -4.970 9.484 1.00 0.00 H new ATOM 0 HA ILE A 53 4.662 -7.863 9.179 1.00 0.00 H new ATOM 0 HB ILE A 53 4.484 -7.494 6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.146 -4.840 7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.776 -4.986 6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.994 -7.514 6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.611 -8.526 7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.933 -6.918 8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.205 -4.400 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.905 -6.010 4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.249 -5.861 5.335 1.00 0.00 H new ATOM 802 N LYS A 54 6.908 -7.215 7.854 1.00 0.00 N ATOM 803 CA LYS A 54 8.262 -6.840 7.411 1.00 0.00 C ATOM 804 C LYS A 54 8.267 -6.730 5.881 1.00 0.00 C ATOM 805 O LYS A 54 8.279 -7.745 5.192 1.00 0.00 O ATOM 806 CB LYS A 54 9.320 -7.872 7.898 1.00 0.00 C ATOM 807 CG LYS A 54 9.434 -7.983 9.429 1.00 0.00 C ATOM 808 CD LYS A 54 10.500 -8.993 9.924 1.00 0.00 C ATOM 809 CE LYS A 54 10.166 -10.471 9.613 1.00 0.00 C ATOM 810 NZ LYS A 54 10.271 -10.814 8.174 1.00 0.00 N ATOM 0 H LYS A 54 6.643 -8.167 7.602 1.00 0.00 H new ATOM 0 HA LYS A 54 8.530 -5.878 7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.070 -8.852 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.293 -7.597 7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.668 -6.999 9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.464 -8.272 9.833 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.458 -8.745 9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.620 -8.878 11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.838 -11.114 10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.154 -10.686 9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.732 -11.741 8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.320 -10.852 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.835 -10.090 7.685 1.00 0.00 H new ATOM 824 N LEU A 55 8.198 -5.495 5.357 1.00 0.00 N ATOM 825 CA LEU A 55 8.309 -5.237 3.912 1.00 0.00 C ATOM 826 C LEU A 55 9.738 -5.549 3.423 1.00 0.00 C ATOM 827 O LEU A 55 10.699 -4.980 3.951 1.00 0.00 O ATOM 828 CB LEU A 55 7.959 -3.759 3.574 1.00 0.00 C ATOM 829 CG LEU A 55 6.471 -3.337 3.776 1.00 0.00 C ATOM 830 CD1 LEU A 55 6.276 -1.846 3.446 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.520 -4.208 2.925 1.00 0.00 C ATOM 0 H LEU A 55 8.065 -4.654 5.918 1.00 0.00 H new ATOM 0 HA LEU A 55 7.597 -5.887 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.585 -3.111 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.229 -3.573 2.535 1.00 0.00 H new ATOM 0 HG LEU A 55 6.223 -3.494 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.231 -1.574 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.904 -1.243 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.555 -1.664 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.491 -3.889 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.771 -4.097 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.626 -5.253 3.216 1.00 0.00 H new ATOM 843 N PRO A 56 9.908 -6.461 2.414 1.00 0.00 N ATOM 844 CA PRO A 56 11.193 -6.660 1.727 1.00 0.00 C ATOM 845 C PRO A 56 11.380 -5.592 0.633 1.00 0.00 C ATOM 846 O PRO A 56 11.514 -5.900 -0.557 1.00 0.00 O ATOM 847 CB PRO A 56 11.055 -8.085 1.156 1.00 0.00 C ATOM 848 CG PRO A 56 9.599 -8.201 0.826 1.00 0.00 C ATOM 849 CD PRO A 56 8.867 -7.382 1.879 1.00 0.00 C ATOM 0 HA PRO A 56 12.070 -6.560 2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.677 -8.223 0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.361 -8.838 1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.394 -7.823 -0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.276 -9.242 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.032 -6.831 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.456 -8.018 2.663 1.00 0.00 H new ATOM 857 N LEU A 57 11.402 -4.324 1.078 1.00 0.00 N ATOM 858 CA LEU A 57 11.546 -3.149 0.206 1.00 0.00 C ATOM 859 C LEU A 57 12.904 -3.221 -0.513 1.00 0.00 C ATOM 860 O LEU A 57 13.000 -2.873 -1.688 1.00 0.00 O ATOM 861 CB LEU A 57 11.390 -1.838 1.061 1.00 0.00 C ATOM 862 CG LEU A 57 11.284 -0.450 0.317 1.00 0.00 C ATOM 863 CD1 LEU A 57 12.652 0.093 -0.145 1.00 0.00 C ATOM 864 CD2 LEU A 57 10.282 -0.522 -0.855 1.00 0.00 C ATOM 0 H LEU A 57 11.319 -4.085 2.066 1.00 0.00 H new ATOM 0 HA LEU A 57 10.766 -3.135 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.498 -1.951 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.241 -1.784 1.740 1.00 0.00 H new ATOM 0 HG LEU A 57 10.905 0.264 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.512 1.049 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.300 0.231 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.112 -0.617 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.230 0.448 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.612 -1.276 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.296 -0.789 -0.475 1.00 0.00 H new ATOM 876 N GLU A 58 13.930 -3.717 0.211 1.00 0.00 N ATOM 877 CA GLU A 58 15.283 -3.932 -0.334 1.00 0.00 C ATOM 878 C GLU A 58 15.245 -4.906 -1.539 1.00 0.00 C ATOM 879 O GLU A 58 15.891 -4.651 -2.553 1.00 0.00 O ATOM 880 CB GLU A 58 16.241 -4.455 0.775 1.00 0.00 C ATOM 881 CG GLU A 58 15.847 -5.813 1.391 1.00 0.00 C ATOM 882 CD GLU A 58 16.813 -6.296 2.489 1.00 0.00 C ATOM 883 OE1 GLU A 58 17.953 -6.688 2.160 1.00 0.00 O ATOM 884 OE2 GLU A 58 16.437 -6.299 3.683 1.00 0.00 O ATOM 0 H GLU A 58 13.841 -3.980 1.193 1.00 0.00 H new ATOM 0 HA GLU A 58 15.665 -2.975 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.244 -4.540 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.290 -3.712 1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.844 -5.735 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.805 -6.562 0.601 1.00 0.00 H new ATOM 891 N LYS A 59 14.444 -5.992 -1.412 1.00 0.00 N ATOM 892 CA LYS A 59 14.250 -6.998 -2.481 1.00 0.00 C ATOM 893 C LYS A 59 13.655 -6.331 -3.723 1.00 0.00 C ATOM 894 O LYS A 59 14.219 -6.427 -4.812 1.00 0.00 O ATOM 895 CB LYS A 59 13.314 -8.142 -1.985 1.00 0.00 C ATOM 896 CG LYS A 59 13.034 -9.284 -2.998 1.00 0.00 C ATOM 897 CD LYS A 59 14.307 -10.080 -3.392 1.00 0.00 C ATOM 898 CE LYS A 59 14.031 -11.196 -4.414 1.00 0.00 C ATOM 899 NZ LYS A 59 15.263 -11.935 -4.785 1.00 0.00 N ATOM 0 H LYS A 59 13.914 -6.194 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 59 15.218 -7.428 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.753 -8.579 -1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.361 -7.702 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.303 -9.970 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.585 -8.861 -3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.045 -9.392 -3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.746 -10.518 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.302 -11.893 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.585 -10.764 -5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.028 -12.677 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.950 -11.276 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.676 -12.371 -3.936 1.00 0.00 H new ATOM 913 N TRP A 60 12.544 -5.601 -3.501 1.00 0.00 N ATOM 914 CA TRP A 60 11.773 -4.916 -4.560 1.00 0.00 C ATOM 915 C TRP A 60 12.657 -3.922 -5.331 1.00 0.00 C ATOM 916 O TRP A 60 12.626 -3.883 -6.560 1.00 0.00 O ATOM 917 CB TRP A 60 10.555 -4.178 -3.947 1.00 0.00 C ATOM 918 CG TRP A 60 9.588 -5.054 -3.174 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.529 -6.424 -3.142 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.516 -4.595 -2.337 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.512 -6.829 -2.327 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.872 -5.732 -1.826 1.00 0.00 C ATOM 923 CE3 TRP A 60 8.040 -3.332 -1.969 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.782 -5.654 -0.974 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.957 -3.251 -1.115 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.339 -4.411 -0.624 1.00 0.00 C ATOM 0 H TRP A 60 12.151 -5.468 -2.569 1.00 0.00 H new ATOM 0 HA TRP A 60 11.416 -5.672 -5.260 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.922 -3.396 -3.282 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.009 -3.683 -4.750 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.190 -7.085 -3.682 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.268 -7.798 -2.124 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.511 -2.436 -2.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.300 -6.545 -0.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.581 -2.282 -0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.496 -4.319 0.044 1.00 0.00 H new ATOM 937 N THR A 61 13.467 -3.158 -4.574 1.00 0.00 N ATOM 938 CA THR A 61 14.412 -2.175 -5.120 1.00 0.00 C ATOM 939 C THR A 61 15.442 -2.862 -6.045 1.00 0.00 C ATOM 940 O THR A 61 15.633 -2.429 -7.180 1.00 0.00 O ATOM 941 CB THR A 61 15.137 -1.406 -3.964 1.00 0.00 C ATOM 942 OG1 THR A 61 14.163 -0.775 -3.111 1.00 0.00 O ATOM 943 CG2 THR A 61 16.118 -0.333 -4.477 1.00 0.00 C ATOM 0 H THR A 61 13.481 -3.209 -3.555 1.00 0.00 H new ATOM 0 HA THR A 61 13.849 -1.454 -5.712 1.00 0.00 H new ATOM 0 HB THR A 61 15.716 -2.147 -3.413 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.631 -1.462 -2.658 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.589 0.165 -3.629 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.884 -0.805 -5.092 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.575 0.401 -5.073 1.00 0.00 H new ATOM 951 N GLN A 62 16.036 -3.982 -5.573 1.00 0.00 N ATOM 952 CA GLN A 62 17.077 -4.729 -6.322 1.00 0.00 C ATOM 953 C GLN A 62 16.509 -5.284 -7.639 1.00 0.00 C ATOM 954 O GLN A 62 17.179 -5.252 -8.667 1.00 0.00 O ATOM 955 CB GLN A 62 17.623 -5.896 -5.461 1.00 0.00 C ATOM 956 CG GLN A 62 18.394 -5.465 -4.198 1.00 0.00 C ATOM 957 CD GLN A 62 18.705 -6.630 -3.251 1.00 0.00 C ATOM 958 OE1 GLN A 62 18.886 -7.770 -3.687 1.00 0.00 O ATOM 959 NE2 GLN A 62 18.751 -6.362 -1.953 1.00 0.00 N ATOM 0 H GLN A 62 15.810 -4.393 -4.667 1.00 0.00 H new ATOM 0 HA GLN A 62 17.889 -4.039 -6.552 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.788 -6.529 -5.161 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.280 -6.508 -6.079 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.328 -4.988 -4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.811 -4.716 -3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.597 -5.409 -1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.940 -7.109 -1.284 1.00 0.00 H new ATOM 968 N GLU A 63 15.259 -5.782 -7.565 1.00 0.00 N ATOM 969 CA GLU A 63 14.532 -6.355 -8.715 1.00 0.00 C ATOM 970 C GLU A 63 14.235 -5.301 -9.792 1.00 0.00 C ATOM 971 O GLU A 63 14.385 -5.572 -10.986 1.00 0.00 O ATOM 972 CB GLU A 63 13.225 -7.024 -8.231 1.00 0.00 C ATOM 973 CG GLU A 63 13.455 -8.214 -7.286 1.00 0.00 C ATOM 974 CD GLU A 63 12.151 -8.773 -6.723 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.545 -8.121 -5.848 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.701 -9.847 -7.176 1.00 0.00 O ATOM 0 H GLU A 63 14.721 -5.798 -6.698 1.00 0.00 H new ATOM 0 HA GLU A 63 15.173 -7.108 -9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.613 -6.280 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.658 -7.364 -9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.983 -9.003 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.098 -7.902 -6.463 1.00 0.00 H new ATOM 983 N VAL A 64 13.831 -4.097 -9.357 1.00 0.00 N ATOM 984 CA VAL A 64 13.564 -2.981 -10.274 1.00 0.00 C ATOM 985 C VAL A 64 14.877 -2.525 -10.971 1.00 0.00 C ATOM 986 O VAL A 64 14.904 -2.377 -12.202 1.00 0.00 O ATOM 987 CB VAL A 64 12.863 -1.784 -9.530 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.720 -0.559 -10.460 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.473 -2.209 -8.978 1.00 0.00 C ATOM 0 H VAL A 64 13.682 -3.873 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 64 12.875 -3.330 -11.043 1.00 0.00 H new ATOM 0 HB VAL A 64 13.496 -1.502 -8.688 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.233 0.253 -9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.707 -0.235 -10.789 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.119 -0.830 -11.328 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.010 -1.364 -8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.836 -2.529 -9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.597 -3.033 -8.275 1.00 0.00 H new ATOM 999 N ASN A 65 15.958 -2.342 -10.177 1.00 0.00 N ATOM 1000 CA ASN A 65 17.309 -1.991 -10.703 1.00 0.00 C ATOM 1001 C ASN A 65 17.813 -3.035 -11.720 1.00 0.00 C ATOM 1002 O ASN A 65 18.279 -2.677 -12.806 1.00 0.00 O ATOM 1003 CB ASN A 65 18.365 -1.830 -9.558 1.00 0.00 C ATOM 1004 CG ASN A 65 18.230 -0.518 -8.772 1.00 0.00 C ATOM 1005 OD1 ASN A 65 18.711 0.518 -9.211 1.00 0.00 O ATOM 1006 ND2 ASN A 65 17.638 -0.559 -7.592 1.00 0.00 N ATOM 0 H ASN A 65 15.925 -2.431 -9.161 1.00 0.00 H new ATOM 0 HA ASN A 65 17.196 -1.031 -11.206 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.269 -2.668 -8.868 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.365 -1.884 -9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.574 0.286 -7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.245 -1.435 -7.249 1.00 0.00 H new ATOM 1013 N ASP A 66 17.687 -4.330 -11.376 1.00 0.00 N ATOM 1014 CA ASP A 66 18.280 -5.441 -12.160 1.00 0.00 C ATOM 1015 C ASP A 66 17.377 -5.877 -13.346 1.00 0.00 C ATOM 1016 O ASP A 66 17.755 -6.753 -14.133 1.00 0.00 O ATOM 1017 CB ASP A 66 18.577 -6.640 -11.213 1.00 0.00 C ATOM 1018 CG ASP A 66 19.443 -7.740 -11.859 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.669 -7.533 -11.986 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.907 -8.805 -12.257 1.00 0.00 O ATOM 0 H ASP A 66 17.174 -4.640 -10.551 1.00 0.00 H new ATOM 0 HA ASP A 66 19.212 -5.085 -12.600 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.081 -6.270 -10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.633 -7.077 -10.888 1.00 0.00 H new ATOM 1025 N GLY A 67 16.216 -5.214 -13.503 1.00 0.00 N ATOM 1026 CA GLY A 67 15.250 -5.552 -14.559 1.00 0.00 C ATOM 1027 C GLY A 67 14.531 -6.885 -14.355 1.00 0.00 C ATOM 1028 O GLY A 67 13.983 -7.446 -15.308 1.00 0.00 O ATOM 0 H GLY A 67 15.926 -4.438 -12.908 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.506 -4.758 -14.621 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.771 -5.577 -15.516 1.00 0.00 H new ATOM 1032 N LYS A 68 14.542 -7.396 -13.107 1.00 0.00 N ATOM 1033 CA LYS A 68 13.760 -8.593 -12.717 1.00 0.00 C ATOM 1034 C LYS A 68 12.266 -8.238 -12.718 1.00 0.00 C ATOM 1035 O LYS A 68 11.406 -9.060 -13.052 1.00 0.00 O ATOM 1036 CB LYS A 68 14.160 -9.078 -11.301 1.00 0.00 C ATOM 1037 CG LYS A 68 15.667 -9.317 -11.074 1.00 0.00 C ATOM 1038 CD LYS A 68 15.964 -9.787 -9.630 1.00 0.00 C ATOM 1039 CE LYS A 68 17.461 -9.914 -9.341 1.00 0.00 C ATOM 1040 NZ LYS A 68 18.136 -10.845 -10.281 1.00 0.00 N ATOM 0 H LYS A 68 15.088 -6.996 -12.344 1.00 0.00 H new ATOM 0 HA LYS A 68 13.966 -9.390 -13.431 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.815 -8.342 -10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.629 -10.006 -11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.027 -10.065 -11.781 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.215 -8.397 -11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.522 -9.082 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.483 -10.751 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.927 -8.931 -9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.604 -10.265 -8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.922 -11.320 -9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.454 -11.556 -10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.505 -10.311 -11.094 1.00 0.00 H new ATOM 1054 N ALA A 69 11.997 -6.975 -12.345 1.00 0.00 N ATOM 1055 CA ALA A 69 10.662 -6.391 -12.270 1.00 0.00 C ATOM 1056 C ALA A 69 10.763 -4.901 -12.635 1.00 0.00 C ATOM 1057 O ALA A 69 11.866 -4.348 -12.739 1.00 0.00 O ATOM 1058 CB ALA A 69 10.070 -6.590 -10.855 1.00 0.00 C ATOM 0 H ALA A 69 12.731 -6.318 -12.081 1.00 0.00 H new ATOM 0 HA ALA A 69 9.991 -6.885 -12.973 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.074 -6.150 -10.812 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.006 -7.655 -10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.713 -6.105 -10.120 1.00 0.00 H new ATOM 1064 N THR A 70 9.609 -4.282 -12.833 1.00 0.00 N ATOM 1065 CA THR A 70 9.483 -2.845 -13.116 1.00 0.00 C ATOM 1066 C THR A 70 8.716 -2.163 -11.970 1.00 0.00 C ATOM 1067 O THR A 70 8.069 -2.850 -11.156 1.00 0.00 O ATOM 1068 CB THR A 70 8.817 -2.614 -14.523 1.00 0.00 C ATOM 1069 OG1 THR A 70 7.809 -3.604 -14.765 1.00 0.00 O ATOM 1070 CG2 THR A 70 9.837 -2.660 -15.678 1.00 0.00 C ATOM 0 H THR A 70 8.712 -4.766 -12.803 1.00 0.00 H new ATOM 0 HA THR A 70 10.471 -2.387 -13.167 1.00 0.00 H new ATOM 0 HB THR A 70 8.378 -1.617 -14.495 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.974 -3.333 -14.330 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.322 -2.495 -16.625 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.587 -1.883 -15.532 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.324 -3.635 -15.695 1.00 0.00 H new ATOM 1078 N THR A 71 8.820 -0.816 -11.910 1.00 0.00 N ATOM 1079 CA THR A 71 8.361 -0.005 -10.758 1.00 0.00 C ATOM 1080 C THR A 71 6.879 -0.241 -10.417 1.00 0.00 C ATOM 1081 O THR A 71 6.579 -0.609 -9.295 1.00 0.00 O ATOM 1082 CB THR A 71 8.611 1.531 -10.964 1.00 0.00 C ATOM 1083 OG1 THR A 71 8.073 1.938 -12.226 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.105 1.889 -10.883 1.00 0.00 C ATOM 0 H THR A 71 9.226 -0.259 -12.662 1.00 0.00 H new ATOM 0 HA THR A 71 8.966 -0.345 -9.917 1.00 0.00 H new ATOM 0 HB THR A 71 8.107 2.064 -10.158 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.228 2.897 -12.354 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.231 2.962 -11.031 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.493 1.610 -9.903 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.651 1.349 -11.657 1.00 0.00 H new ATOM 1092 N GLU A 72 5.974 -0.083 -11.406 1.00 0.00 N ATOM 1093 CA GLU A 72 4.495 -0.133 -11.190 1.00 0.00 C ATOM 1094 C GLU A 72 4.010 -1.420 -10.465 1.00 0.00 C ATOM 1095 O GLU A 72 3.024 -1.390 -9.709 1.00 0.00 O ATOM 1096 CB GLU A 72 3.727 0.070 -12.548 1.00 0.00 C ATOM 1097 CG GLU A 72 3.725 -1.111 -13.544 1.00 0.00 C ATOM 1098 CD GLU A 72 5.122 -1.600 -13.925 1.00 0.00 C ATOM 1099 OE1 GLU A 72 5.846 -0.871 -14.634 1.00 0.00 O ATOM 1100 OE2 GLU A 72 5.515 -2.691 -13.477 1.00 0.00 O ATOM 0 H GLU A 72 6.237 0.083 -12.377 1.00 0.00 H new ATOM 0 HA GLU A 72 4.261 0.693 -10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.691 0.317 -12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.156 0.936 -13.052 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.166 -1.940 -13.109 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.196 -0.810 -14.449 1.00 0.00 H new ATOM 1107 N GLN A 73 4.750 -2.518 -10.682 1.00 0.00 N ATOM 1108 CA GLN A 73 4.461 -3.849 -10.126 1.00 0.00 C ATOM 1109 C GLN A 73 4.516 -3.850 -8.578 1.00 0.00 C ATOM 1110 O GLN A 73 3.849 -4.661 -7.933 1.00 0.00 O ATOM 1111 CB GLN A 73 5.441 -4.885 -10.771 1.00 0.00 C ATOM 1112 CG GLN A 73 5.052 -6.381 -10.637 1.00 0.00 C ATOM 1113 CD GLN A 73 5.703 -7.094 -9.455 1.00 0.00 C ATOM 1114 OE1 GLN A 73 5.150 -7.147 -8.358 1.00 0.00 O ATOM 1115 NE2 GLN A 73 6.913 -7.603 -9.663 1.00 0.00 N ATOM 0 H GLN A 73 5.588 -2.505 -11.264 1.00 0.00 H new ATOM 0 HA GLN A 73 3.440 -4.137 -10.375 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.536 -4.651 -11.831 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.426 -4.747 -10.325 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.969 -6.456 -10.540 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.326 -6.900 -11.556 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.341 -7.540 -10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.414 -8.056 -8.899 1.00 0.00 H new ATOM 1124 N TYR A 74 5.305 -2.931 -7.991 1.00 0.00 N ATOM 1125 CA TYR A 74 5.353 -2.720 -6.527 1.00 0.00 C ATOM 1126 C TYR A 74 4.843 -1.326 -6.131 1.00 0.00 C ATOM 1127 O TYR A 74 4.346 -1.149 -5.019 1.00 0.00 O ATOM 1128 CB TYR A 74 6.802 -2.897 -6.002 1.00 0.00 C ATOM 1129 CG TYR A 74 7.418 -4.256 -6.350 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.892 -5.434 -5.817 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.510 -4.366 -7.222 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.422 -6.664 -6.141 1.00 0.00 C ATOM 1133 CE2 TYR A 74 9.033 -5.597 -7.552 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.491 -6.740 -7.005 1.00 0.00 C ATOM 1135 OH TYR A 74 8.994 -7.970 -7.354 1.00 0.00 O ATOM 0 H TYR A 74 5.927 -2.314 -8.514 1.00 0.00 H new ATOM 0 HA TYR A 74 4.699 -3.467 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.429 -2.107 -6.416 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.805 -2.772 -4.919 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.054 -5.380 -5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.948 -3.472 -7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.001 -7.564 -5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.865 -5.666 -8.237 1.00 0.00 H new ATOM 0 HH TYR A 74 9.746 -7.853 -7.971 1.00 0.00 H new ATOM 1145 N PHE A 75 4.960 -0.339 -7.041 1.00 0.00 N ATOM 1146 CA PHE A 75 4.814 1.096 -6.704 1.00 0.00 C ATOM 1147 C PHE A 75 3.496 1.697 -7.253 1.00 0.00 C ATOM 1148 O PHE A 75 3.379 2.912 -7.345 1.00 0.00 O ATOM 1149 CB PHE A 75 6.044 1.886 -7.249 1.00 0.00 C ATOM 1150 CG PHE A 75 7.390 1.586 -6.559 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.208 0.527 -6.968 1.00 0.00 C ATOM 1152 CD2 PHE A 75 7.849 2.384 -5.511 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.423 0.279 -6.356 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.069 2.135 -4.909 1.00 0.00 C ATOM 1155 CZ PHE A 75 9.853 1.082 -5.327 1.00 0.00 C ATOM 0 H PHE A 75 5.158 -0.510 -8.027 1.00 0.00 H new ATOM 0 HA PHE A 75 4.772 1.183 -5.618 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.147 1.673 -8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.838 2.952 -7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.884 -0.110 -7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.243 3.208 -5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.035 -0.547 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.410 2.771 -4.105 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.801 0.888 -4.848 1.00 0.00 H new ATOM 1165 N VAL A 76 2.508 0.856 -7.610 1.00 0.00 N ATOM 1166 CA VAL A 76 1.109 1.313 -7.839 1.00 0.00 C ATOM 1167 C VAL A 76 0.274 0.859 -6.646 1.00 0.00 C ATOM 1168 O VAL A 76 0.452 -0.251 -6.186 1.00 0.00 O ATOM 1169 CB VAL A 76 0.489 0.776 -9.187 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -1.032 1.054 -9.294 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.211 1.386 -10.400 1.00 0.00 C ATOM 0 H VAL A 76 2.644 -0.145 -7.748 1.00 0.00 H new ATOM 0 HA VAL A 76 1.110 2.399 -7.933 1.00 0.00 H new ATOM 0 HB VAL A 76 0.629 -0.305 -9.183 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.407 0.664 -10.240 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.550 0.565 -8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.210 2.128 -9.248 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.767 1.002 -11.319 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.111 2.471 -10.375 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.267 1.118 -10.368 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.638 1.729 -6.190 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.420 1.562 -4.943 1.00 0.00 C ATOM 1183 C LEU A 77 -2.159 0.213 -4.833 1.00 0.00 C ATOM 1184 O LEU A 77 -2.228 -0.343 -3.741 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.415 2.759 -4.780 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.917 3.945 -3.901 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.785 3.523 -2.421 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.607 4.562 -4.445 1.00 0.00 C ATOM 0 H LEU A 77 -0.863 2.592 -6.686 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.699 1.559 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.656 3.143 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.342 2.379 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.673 4.729 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.436 4.370 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.756 3.196 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.070 2.704 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.297 5.385 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.174 3.801 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.773 4.935 -5.456 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.702 -0.295 -5.952 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.389 -1.614 -5.976 1.00 0.00 C ATOM 1202 C LYS A 78 -2.366 -2.763 -5.791 1.00 0.00 C ATOM 1203 O LYS A 78 -2.586 -3.667 -4.984 1.00 0.00 O ATOM 1204 CB LYS A 78 -4.208 -1.793 -7.292 1.00 0.00 C ATOM 1205 CG LYS A 78 -3.363 -1.654 -8.571 1.00 0.00 C ATOM 1206 CD LYS A 78 -4.148 -1.832 -9.881 1.00 0.00 C ATOM 1207 CE LYS A 78 -3.246 -1.669 -11.124 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.999 -1.810 -12.396 1.00 0.00 N ATOM 0 H LYS A 78 -2.683 0.180 -6.854 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.091 -1.650 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.681 -2.775 -7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.009 -1.054 -7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.894 -0.670 -8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.560 -2.390 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.610 -2.819 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.956 -1.102 -9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.767 -0.690 -11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.451 -2.414 -11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.333 -1.811 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.531 -2.704 -12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.661 -1.014 -12.498 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.227 -2.687 -6.513 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.173 -3.730 -6.478 1.00 0.00 C ATOM 1224 C ASN A 79 0.513 -3.756 -5.113 1.00 0.00 C ATOM 1225 O ASN A 79 0.795 -4.822 -4.574 1.00 0.00 O ATOM 1226 CB ASN A 79 0.899 -3.496 -7.574 1.00 0.00 C ATOM 1227 CG ASN A 79 0.377 -3.620 -9.003 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.717 -3.186 -9.325 1.00 0.00 O ATOM 1229 ND2 ASN A 79 1.146 -4.259 -9.869 1.00 0.00 N ATOM 0 H ASN A 79 -1.011 -1.907 -7.134 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.663 -4.685 -6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.326 -2.502 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.708 -4.212 -7.432 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.828 -4.397 -10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.057 -4.613 -9.578 1.00 0.00 H new ATOM 1236 N LEU A 80 0.764 -2.551 -4.594 1.00 0.00 N ATOM 1237 CA LEU A 80 1.396 -2.314 -3.296 1.00 0.00 C ATOM 1238 C LEU A 80 0.496 -2.855 -2.182 1.00 0.00 C ATOM 1239 O LEU A 80 0.946 -3.638 -1.352 1.00 0.00 O ATOM 1240 CB LEU A 80 1.656 -0.794 -3.105 1.00 0.00 C ATOM 1241 CG LEU A 80 2.380 -0.369 -1.787 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.767 -1.046 -1.647 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.480 1.173 -1.678 1.00 0.00 C ATOM 0 H LEU A 80 0.525 -1.688 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 80 2.353 -2.834 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.249 -0.441 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.698 -0.276 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 80 1.773 -0.719 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.237 -0.724 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.644 -2.129 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.397 -0.762 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.988 1.440 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.044 1.562 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.479 1.604 -1.680 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.797 -2.470 -2.222 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.808 -2.932 -1.247 1.00 0.00 C ATOM 1257 C ALA A 81 -1.960 -4.458 -1.288 1.00 0.00 C ATOM 1258 O ALA A 81 -2.207 -5.077 -0.261 1.00 0.00 O ATOM 1259 CB ALA A 81 -3.161 -2.252 -1.492 1.00 0.00 C ATOM 0 H ALA A 81 -1.168 -1.833 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.459 -2.651 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.886 -2.610 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.049 -1.172 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.511 -2.490 -2.496 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.785 -5.048 -2.479 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.802 -6.505 -2.656 1.00 0.00 C ATOM 1267 C ALA A 82 -0.590 -7.144 -1.945 1.00 0.00 C ATOM 1268 O ALA A 82 -0.769 -8.064 -1.148 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.831 -6.866 -4.148 1.00 0.00 C ATOM 0 H ALA A 82 -1.628 -4.530 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.708 -6.905 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.843 -7.950 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.725 -6.444 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.945 -6.461 -4.638 1.00 0.00 H new ATOM 1275 N ARG A 83 0.629 -6.612 -2.216 1.00 0.00 N ATOM 1276 CA ARG A 83 1.902 -7.095 -1.604 1.00 0.00 C ATOM 1277 C ARG A 83 1.807 -7.119 -0.060 1.00 0.00 C ATOM 1278 O ARG A 83 2.084 -8.133 0.585 1.00 0.00 O ATOM 1279 CB ARG A 83 3.091 -6.177 -2.015 1.00 0.00 C ATOM 1280 CG ARG A 83 3.466 -6.146 -3.523 1.00 0.00 C ATOM 1281 CD ARG A 83 4.195 -7.411 -4.028 1.00 0.00 C ATOM 1282 NE ARG A 83 3.306 -8.568 -4.257 1.00 0.00 N ATOM 1283 CZ ARG A 83 3.662 -9.694 -4.905 1.00 0.00 C ATOM 1284 NH1 ARG A 83 4.882 -9.846 -5.391 1.00 0.00 N ATOM 1285 NH2 ARG A 83 2.786 -10.657 -5.073 1.00 0.00 N ATOM 0 H ARG A 83 0.761 -5.836 -2.864 1.00 0.00 H new ATOM 0 HA ARG A 83 2.072 -8.108 -1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.858 -5.159 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.971 -6.489 -1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.557 -6.008 -4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.099 -5.278 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.711 -7.173 -4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.959 -7.691 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 83 2.353 -8.510 -3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.572 -9.103 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.133 -10.706 -5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.837 -10.552 -4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.054 -11.510 -5.563 1.00 0.00 H new ATOM 1299 N ILE A 84 1.360 -5.985 0.482 1.00 0.00 N ATOM 1300 CA ILE A 84 1.230 -5.735 1.926 1.00 0.00 C ATOM 1301 C ILE A 84 0.189 -6.685 2.543 1.00 0.00 C ATOM 1302 O ILE A 84 0.446 -7.302 3.570 1.00 0.00 O ATOM 1303 CB ILE A 84 0.821 -4.235 2.138 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.949 -3.297 1.600 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.473 -3.918 3.610 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.545 -1.849 1.442 1.00 0.00 C ATOM 0 H ILE A 84 1.069 -5.189 -0.085 1.00 0.00 H new ATOM 0 HA ILE A 84 2.181 -5.924 2.425 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.091 -4.054 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.801 -3.350 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.286 -3.673 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.197 -2.867 3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.362 -4.541 3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.339 -4.121 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.391 -1.274 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.715 -1.778 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.238 -1.449 2.408 1.00 0.00 H new ATOM 1318 N ASP A 85 -0.965 -6.813 1.859 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.089 -7.691 2.276 1.00 0.00 C ATOM 1320 C ASP A 85 -1.652 -9.174 2.343 1.00 0.00 C ATOM 1321 O ASP A 85 -2.073 -9.919 3.235 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.270 -7.506 1.285 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.538 -8.288 1.655 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.246 -7.874 2.598 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.863 -9.288 0.982 1.00 0.00 O ATOM 0 H ASP A 85 -1.150 -6.307 0.993 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.408 -7.407 3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.516 -6.446 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.946 -7.813 0.291 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.777 -9.565 1.403 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.175 -10.911 1.358 1.00 0.00 C ATOM 1332 C GLU A 86 0.719 -11.150 2.581 1.00 0.00 C ATOM 1333 O GLU A 86 0.682 -12.224 3.185 1.00 0.00 O ATOM 1334 CB GLU A 86 0.657 -11.079 0.062 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.158 -11.105 -1.239 1.00 0.00 C ATOM 1336 CD GLU A 86 -1.137 -12.279 -1.306 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -0.703 -13.403 -1.626 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -2.337 -12.099 -1.015 1.00 0.00 O ATOM 0 H GLU A 86 -0.464 -8.955 0.648 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.981 -11.645 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.378 -10.264 0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.228 -12.005 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.712 -10.171 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.524 -11.158 -2.088 1.00 0.00 H new ATOM 1345 N LEU A 87 1.529 -10.139 2.927 1.00 0.00 N ATOM 1346 CA LEU A 87 2.449 -10.208 4.080 1.00 0.00 C ATOM 1347 C LEU A 87 1.676 -10.168 5.411 1.00 0.00 C ATOM 1348 O LEU A 87 2.146 -10.698 6.419 1.00 0.00 O ATOM 1349 CB LEU A 87 3.506 -9.076 4.003 1.00 0.00 C ATOM 1350 CG LEU A 87 4.337 -9.021 2.680 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.371 -7.888 2.720 1.00 0.00 C ATOM 1352 CD2 LEU A 87 4.991 -10.386 2.352 1.00 0.00 C ATOM 0 H LEU A 87 1.568 -9.254 2.421 1.00 0.00 H new ATOM 0 HA LEU A 87 2.976 -11.161 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.999 -8.120 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.195 -9.188 4.840 1.00 0.00 H new ATOM 0 HG LEU A 87 3.643 -8.802 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.933 -7.875 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.860 -6.934 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.055 -8.049 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.559 -10.304 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.660 -10.673 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.215 -11.143 2.236 1.00 0.00 H new ATOM 1364 N VAL A 88 0.487 -9.529 5.399 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.453 -9.530 6.543 1.00 0.00 C ATOM 1366 C VAL A 88 -1.031 -10.946 6.754 1.00 0.00 C ATOM 1367 O VAL A 88 -1.214 -11.387 7.891 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.597 -8.457 6.354 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.693 -8.567 7.449 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.996 -7.023 6.335 1.00 0.00 C ATOM 0 H VAL A 88 0.150 -8.997 4.596 1.00 0.00 H new ATOM 0 HA VAL A 88 0.098 -9.248 7.440 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.075 -8.660 5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.457 -7.809 7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.148 -9.557 7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.244 -8.413 8.430 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.796 -6.295 6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.482 -6.832 7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.288 -6.936 5.511 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.282 -11.652 5.642 1.00 0.00 N ATOM 1381 CA ALA A 89 -1.680 -13.070 5.663 1.00 0.00 C ATOM 1382 C ALA A 89 -0.499 -13.959 6.116 1.00 0.00 C ATOM 1383 O ALA A 89 -0.700 -14.959 6.813 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.208 -13.506 4.285 1.00 0.00 C ATOM 0 H ALA A 89 -1.215 -11.258 4.703 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.488 -13.192 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.497 -14.556 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.075 -12.901 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.427 -13.370 3.537 1.00 0.00 H new ATOM 1390 N ALA A 90 0.731 -13.567 5.719 1.00 0.00 N ATOM 1391 CA ALA A 90 1.966 -14.285 6.078 1.00 0.00 C ATOM 1392 C ALA A 90 2.248 -14.191 7.590 1.00 0.00 C ATOM 1393 O ALA A 90 2.644 -15.180 8.208 1.00 0.00 O ATOM 1394 CB ALA A 90 3.156 -13.743 5.265 1.00 0.00 C ATOM 0 H ALA A 90 0.892 -12.743 5.140 1.00 0.00 H new ATOM 0 HA ALA A 90 1.829 -15.338 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.062 -14.283 5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.962 -13.880 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.288 -12.682 5.476 1.00 0.00 H new ATOM 1400 N LYS A 91 2.014 -12.998 8.182 1.00 0.00 N ATOM 1401 CA LYS A 91 2.206 -12.765 9.631 1.00 0.00 C ATOM 1402 C LYS A 91 0.974 -13.277 10.392 1.00 0.00 C ATOM 1403 O LYS A 91 1.053 -13.595 11.586 1.00 0.00 O ATOM 1404 CB LYS A 91 2.497 -11.245 9.917 1.00 0.00 C ATOM 1405 CG LYS A 91 1.302 -10.259 9.745 1.00 0.00 C ATOM 1406 CD LYS A 91 0.428 -10.078 11.019 1.00 0.00 C ATOM 1407 CE LYS A 91 -0.892 -9.351 10.739 1.00 0.00 C ATOM 1408 NZ LYS A 91 -0.668 -7.988 10.218 1.00 0.00 N ATOM 0 H LYS A 91 1.689 -12.176 7.673 1.00 0.00 H new ATOM 0 HA LYS A 91 3.077 -13.319 9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.867 -11.156 10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.302 -10.923 9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.690 -9.286 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.668 -10.614 8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.214 -11.057 11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.993 -9.519 11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.477 -9.924 10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.479 -9.298 11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.552 -7.443 10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.069 -7.518 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.363 -8.042 9.225 1.00 0.00 H new ATOM 1422 N GLY A 92 -0.173 -13.318 9.673 1.00 0.00 N ATOM 1423 CA GLY A 92 -1.436 -13.815 10.203 1.00 0.00 C ATOM 1424 C GLY A 92 -1.404 -15.327 10.385 1.00 0.00 C ATOM 1425 O GLY A 92 -2.195 -15.886 11.154 1.00 0.00 O ATOM 0 H GLY A 92 -0.234 -13.002 8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.645 -13.336 11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.248 -13.545 9.527 1.00 0.00 H new ATOM 1429 N ALA A 93 -0.511 -15.991 9.618 1.00 0.00 N ATOM 1430 CA ALA A 93 -0.103 -17.378 9.871 1.00 0.00 C ATOM 1431 C ALA A 93 1.028 -17.352 10.922 1.00 0.00 C ATOM 1432 O ALA A 93 0.778 -17.602 12.100 1.00 0.00 O ATOM 1433 CB ALA A 93 0.325 -18.058 8.552 1.00 0.00 C ATOM 0 H ALA A 93 -0.056 -15.573 8.806 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.931 -17.969 10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.625 -19.086 8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.511 -18.055 7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.163 -17.514 8.117 1.00 0.00 H new ATOM 1439 N LEU A 94 2.247 -16.990 10.467 1.00 0.00 N ATOM 1440 CA LEU A 94 3.453 -16.750 11.301 1.00 0.00 C ATOM 1441 C LEU A 94 4.566 -16.196 10.386 1.00 0.00 C ATOM 1442 O LEU A 94 4.909 -16.834 9.390 1.00 0.00 O ATOM 1443 CB LEU A 94 3.983 -18.040 12.041 1.00 0.00 C ATOM 1444 CG LEU A 94 3.383 -18.353 13.452 1.00 0.00 C ATOM 1445 CD1 LEU A 94 4.012 -19.624 14.062 1.00 0.00 C ATOM 1446 CD2 LEU A 94 3.529 -17.140 14.401 1.00 0.00 C ATOM 0 H LEU A 94 2.429 -16.851 9.473 1.00 0.00 H new ATOM 0 HA LEU A 94 3.174 -16.043 12.082 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.797 -18.899 11.397 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.064 -17.949 12.146 1.00 0.00 H new ATOM 0 HG LEU A 94 2.318 -18.546 13.323 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.573 -19.813 15.042 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.820 -20.475 13.408 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.088 -19.483 14.167 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.104 -17.386 15.374 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.585 -16.895 14.518 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.002 -16.284 13.981 1.00 0.00 H new ATOM 1458 N GLU A 95 5.102 -15.011 10.722 1.00 0.00 N ATOM 1459 CA GLU A 95 6.259 -14.398 10.023 1.00 0.00 C ATOM 1460 C GLU A 95 7.393 -14.173 11.038 1.00 0.00 C ATOM 1461 O GLU A 95 8.489 -14.725 10.895 1.00 0.00 O ATOM 1462 CB GLU A 95 5.849 -13.056 9.347 1.00 0.00 C ATOM 1463 CG GLU A 95 6.996 -12.322 8.620 1.00 0.00 C ATOM 1464 CD GLU A 95 6.605 -10.931 8.075 1.00 0.00 C ATOM 1465 OE1 GLU A 95 6.421 -10.002 8.887 1.00 0.00 O ATOM 1466 OE2 GLU A 95 6.505 -10.760 6.835 1.00 0.00 O ATOM 0 H GLU A 95 4.747 -14.442 11.491 1.00 0.00 H new ATOM 0 HA GLU A 95 6.604 -15.069 9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.052 -13.255 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.436 -12.393 10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.835 -12.209 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.343 -12.941 7.792 1.00 0.00 H new ATOM 1473 N HIS A 96 7.103 -13.366 12.075 1.00 0.00 N ATOM 1474 CA HIS A 96 8.049 -13.066 13.171 1.00 0.00 C ATOM 1475 C HIS A 96 7.239 -12.902 14.479 1.00 0.00 C ATOM 1476 O HIS A 96 7.401 -11.927 15.216 1.00 0.00 O ATOM 1477 CB HIS A 96 8.885 -11.795 12.821 1.00 0.00 C ATOM 1478 CG HIS A 96 10.078 -11.524 13.720 1.00 0.00 C ATOM 1479 ND1 HIS A 96 11.333 -12.033 13.471 1.00 0.00 N ATOM 1480 CD2 HIS A 96 10.197 -10.803 14.867 1.00 0.00 C ATOM 1481 CE1 HIS A 96 12.164 -11.648 14.423 1.00 0.00 C ATOM 1482 NE2 HIS A 96 11.501 -10.902 15.280 1.00 0.00 N ATOM 0 H HIS A 96 6.202 -12.900 12.179 1.00 0.00 H new ATOM 0 HA HIS A 96 8.761 -13.880 13.307 1.00 0.00 H new ATOM 0 HB2 HIS A 96 9.240 -11.888 11.795 1.00 0.00 H new ATOM 0 HB3 HIS A 96 8.225 -10.928 12.853 1.00 0.00 H new ATOM 0 HD2 HIS A 96 9.410 -10.254 15.362 1.00 0.00 H new ATOM 0 HE1 HIS A 96 13.212 -11.903 14.487 1.00 0.00 H new ATOM 0 HE2 HIS A 96 11.893 -10.468 16.116 1.00 0.00 H new ATOM 1491 N HIS A 97 6.312 -13.863 14.700 1.00 0.00 N ATOM 1492 CA HIS A 97 5.481 -13.998 15.932 1.00 0.00 C ATOM 1493 C HIS A 97 4.325 -12.969 16.016 1.00 0.00 C ATOM 1494 O HIS A 97 3.202 -13.335 16.391 1.00 0.00 O ATOM 1495 CB HIS A 97 6.350 -13.963 17.225 1.00 0.00 C ATOM 1496 CG HIS A 97 5.568 -13.977 18.524 1.00 0.00 C ATOM 1497 ND1 HIS A 97 4.973 -15.112 19.037 1.00 0.00 N ATOM 1498 CD2 HIS A 97 5.263 -12.980 19.396 1.00 0.00 C ATOM 1499 CE1 HIS A 97 4.342 -14.817 20.154 1.00 0.00 C ATOM 1500 NE2 HIS A 97 4.497 -13.531 20.396 1.00 0.00 N ATOM 0 H HIS A 97 6.112 -14.588 14.011 1.00 0.00 H new ATOM 0 HA HIS A 97 5.015 -14.980 15.858 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.024 -14.820 17.215 1.00 0.00 H new ATOM 0 HB3 HIS A 97 6.972 -13.068 17.203 1.00 0.00 H new ATOM 0 HD2 HIS A 97 5.566 -11.946 19.318 1.00 0.00 H new ATOM 0 HE1 HIS A 97 3.790 -15.512 20.769 1.00 0.00 H new ATOM 0 HE2 HIS A 97 4.112 -13.027 21.195 1.00 0.00 H new ATOM 1509 N HIS A 98 4.604 -11.692 15.689 1.00 0.00 N ATOM 1510 CA HIS A 98 3.657 -10.581 15.879 1.00 0.00 C ATOM 1511 C HIS A 98 2.495 -10.655 14.872 1.00 0.00 C ATOM 1512 O HIS A 98 2.657 -10.353 13.685 1.00 0.00 O ATOM 1513 CB HIS A 98 4.393 -9.215 15.792 1.00 0.00 C ATOM 1514 CG HIS A 98 3.504 -8.029 16.054 1.00 0.00 C ATOM 1515 ND1 HIS A 98 3.102 -7.659 17.323 1.00 0.00 N ATOM 1516 CD2 HIS A 98 2.921 -7.148 15.209 1.00 0.00 C ATOM 1517 CE1 HIS A 98 2.300 -6.616 17.239 1.00 0.00 C ATOM 1518 NE2 HIS A 98 2.170 -6.289 15.969 1.00 0.00 N ATOM 0 H HIS A 98 5.495 -11.404 15.285 1.00 0.00 H new ATOM 0 HA HIS A 98 3.227 -10.672 16.876 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.213 -9.208 16.510 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.836 -9.114 14.801 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.027 -7.126 14.134 1.00 0.00 H new ATOM 0 HE1 HIS A 98 1.829 -6.114 18.071 1.00 0.00 H new ATOM 0 HE2 HIS A 98 1.603 -5.521 15.610 1.00 0.00 H new ATOM 1527 N HIS A 99 1.338 -11.100 15.370 1.00 0.00 N ATOM 1528 CA HIS A 99 0.060 -11.054 14.640 1.00 0.00 C ATOM 1529 C HIS A 99 -0.625 -9.690 14.867 1.00 0.00 C ATOM 1530 O HIS A 99 -0.068 -8.802 15.529 1.00 0.00 O ATOM 1531 CB HIS A 99 -0.873 -12.202 15.120 1.00 0.00 C ATOM 1532 CG HIS A 99 -0.487 -13.587 14.667 1.00 0.00 C ATOM 1533 ND1 HIS A 99 -1.412 -14.504 14.218 1.00 0.00 N ATOM 1534 CD2 HIS A 99 0.711 -14.217 14.626 1.00 0.00 C ATOM 1535 CE1 HIS A 99 -0.803 -15.633 13.923 1.00 0.00 C ATOM 1536 NE2 HIS A 99 0.485 -15.489 14.159 1.00 0.00 N ATOM 0 H HIS A 99 1.257 -11.508 16.302 1.00 0.00 H new ATOM 0 HA HIS A 99 0.257 -11.182 13.576 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.903 -12.191 16.210 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -1.885 -11.994 14.771 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -2.414 -14.334 14.128 1.00 0.00 H new ATOM 0 HD2 HIS A 99 1.666 -13.798 14.908 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.279 -16.528 13.550 1.00 0.00 H new ATOM 1545 N HIS A 100 -1.833 -9.536 14.308 1.00 0.00 N ATOM 1546 CA HIS A 100 -2.708 -8.388 14.584 1.00 0.00 C ATOM 1547 C HIS A 100 -3.906 -8.885 15.411 1.00 0.00 C ATOM 1548 O HIS A 100 -4.962 -9.242 14.867 1.00 0.00 O ATOM 1549 CB HIS A 100 -3.152 -7.704 13.265 1.00 0.00 C ATOM 1550 CG HIS A 100 -3.920 -6.428 13.479 1.00 0.00 C ATOM 1551 ND1 HIS A 100 -3.312 -5.202 13.628 1.00 0.00 N ATOM 1552 CD2 HIS A 100 -5.244 -6.204 13.608 1.00 0.00 C ATOM 1553 CE1 HIS A 100 -4.233 -4.281 13.831 1.00 0.00 C ATOM 1554 NE2 HIS A 100 -5.414 -4.865 13.830 1.00 0.00 N ATOM 0 H HIS A 100 -2.232 -10.206 13.650 1.00 0.00 H new ATOM 0 HA HIS A 100 -2.172 -7.631 15.156 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -2.270 -7.491 12.661 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -3.769 -8.399 12.695 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -6.026 -6.946 13.547 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -4.050 -3.226 13.974 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -6.308 -4.396 13.972 1.00 0.00 H new ATOM 1563 N HIS A 101 -3.690 -8.977 16.726 1.00 0.00 N ATOM 1564 CA HIS A 101 -4.699 -9.414 17.707 1.00 0.00 C ATOM 1565 C HIS A 101 -5.117 -8.198 18.575 1.00 0.00 C ATOM 1566 O HIS A 101 -4.227 -7.569 19.189 1.00 0.00 O ATOM 1567 CB HIS A 101 -4.112 -10.568 18.571 1.00 0.00 C ATOM 1568 CG HIS A 101 -5.041 -11.114 19.619 1.00 0.00 C ATOM 1569 ND1 HIS A 101 -5.870 -12.184 19.393 1.00 0.00 N ATOM 1570 CD2 HIS A 101 -5.225 -10.766 20.913 1.00 0.00 C ATOM 1571 CE1 HIS A 101 -6.526 -12.474 20.494 1.00 0.00 C ATOM 1572 NE2 HIS A 101 -6.152 -11.630 21.433 1.00 0.00 N ATOM 1573 OXT HIS A 101 -6.324 -7.884 18.654 1.00 0.00 O ATOM 0 H HIS A 101 -2.792 -8.746 17.152 1.00 0.00 H new ATOM 0 HA HIS A 101 -5.588 -9.794 17.204 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.816 -11.382 17.910 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.206 -10.210 19.061 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.734 -9.959 21.437 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -7.248 -13.269 20.609 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.497 -11.621 22.393 1.00 0.00 H new TER 1582 HIS A 101