USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 137:sc= 0.0751 (180deg=0.00783) USER MOD Single : A 8 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.009) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.59 K(o=-1.6,f=-4!) USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.686 F(o=-1.8,f=-0.69) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0101 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -49:sc= -0.442 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 99:sc= 0.307 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 160:sc= 0.0325 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.295 K(o=-0.3,f=-2.1!) USER MOD Single : A 76 GLN : amide:sc= -1.15 K(o=-1.2,f=-5.1!) USER MOD Single : A 77 TYR OH : rot -170:sc= 1.69 USER MOD Single : A 82 TYR OH : rot 130:sc= -2.7! USER MOD Single : A 84 THR OG1 : rot -36:sc= -0.149 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -4.17! C(o=-6.4!,f=-4.2!) USER MOD Single : A 93 THR OG1 : rot 25:sc= 0.0897 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -149:sc= -3.88! USER MOD Single : A 100 THR OG1 : rot -76:sc= 0.826 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -160:sc= 0.085 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -169:sc= -0.0235 (180deg=-0.265) USER MOD Single : A 116 THR OG1 : rot 118:sc= -1.38 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.725 11.840 12.733 1.00 7.08 N ATOM 2 CA ASP A 1 -9.731 10.532 13.451 1.00 6.65 C ATOM 3 C ASP A 1 -8.302 10.002 13.594 1.00 5.96 C ATOM 4 O ASP A 1 -7.409 10.398 12.872 1.00 6.16 O ATOM 5 CB ASP A 1 -10.563 9.601 12.569 1.00 7.15 C ATOM 6 CG ASP A 1 -12.035 9.692 12.977 1.00 7.15 C ATOM 7 OD1 ASP A 1 -12.476 10.787 13.286 1.00 7.37 O ATOM 8 OD2 ASP A 1 -12.694 8.666 12.973 1.00 7.22 O ATOM 0 H1 ASP A 1 -10.498 11.858 12.037 1.00 7.08 H new ATOM 0 H2 ASP A 1 -9.857 12.612 13.417 1.00 7.08 H new ATOM 0 H3 ASP A 1 -8.816 11.963 12.243 1.00 7.08 H new ATOM 0 HA ASP A 1 -10.141 10.614 14.457 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -10.447 9.876 11.521 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -10.209 8.575 12.670 1.00 7.15 H new ATOM 15 N ALA A 2 -8.080 9.110 14.518 1.00 5.41 N ATOM 16 CA ALA A 2 -6.708 8.557 14.704 1.00 4.78 C ATOM 17 C ALA A 2 -6.523 7.306 13.829 1.00 3.77 C ATOM 18 O ALA A 2 -7.314 6.387 13.901 1.00 3.42 O ATOM 19 CB ALA A 2 -6.626 8.192 16.186 1.00 5.00 C ATOM 0 H ALA A 2 -8.788 8.740 15.152 1.00 5.41 H new ATOM 0 HA ALA A 2 -5.931 9.266 14.417 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -5.642 7.776 16.404 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -6.785 9.085 16.790 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -7.392 7.454 16.422 1.00 5.00 H new ATOM 25 N PRO A 3 -5.484 7.304 13.025 1.00 3.56 N ATOM 26 CA PRO A 3 -5.221 6.143 12.138 1.00 2.78 C ATOM 27 C PRO A 3 -4.700 4.955 12.951 1.00 2.04 C ATOM 28 O PRO A 3 -3.786 5.083 13.741 1.00 2.31 O ATOM 29 CB PRO A 3 -4.151 6.655 11.180 1.00 3.38 C ATOM 30 CG PRO A 3 -3.462 7.757 11.920 1.00 4.09 C ATOM 31 CD PRO A 3 -4.473 8.361 12.860 1.00 4.30 C ATOM 0 HA PRO A 3 -6.114 5.790 11.622 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -3.452 5.864 10.910 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -4.593 7.019 10.253 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -2.605 7.372 12.472 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -3.084 8.508 11.227 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -4.019 8.631 13.814 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -4.910 9.270 12.446 1.00 4.30 H new ATOM 39 N GLU A 4 -5.273 3.797 12.762 1.00 1.37 N ATOM 40 CA GLU A 4 -4.808 2.601 13.522 1.00 1.14 C ATOM 41 C GLU A 4 -3.693 1.887 12.753 1.00 0.89 C ATOM 42 O GLU A 4 -3.944 1.151 11.819 1.00 1.30 O ATOM 43 CB GLU A 4 -6.040 1.703 13.641 1.00 1.67 C ATOM 44 CG GLU A 4 -5.768 0.601 14.667 1.00 2.39 C ATOM 45 CD GLU A 4 -6.680 -0.595 14.384 1.00 2.65 C ATOM 46 OE1 GLU A 4 -7.777 -0.617 14.918 1.00 3.05 O ATOM 47 OE2 GLU A 4 -6.265 -1.468 13.641 1.00 3.09 O ATOM 0 H GLU A 4 -6.043 3.627 12.114 1.00 1.37 H new ATOM 0 HA GLU A 4 -4.401 2.864 14.498 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.905 2.292 13.945 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.278 1.263 12.673 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -4.723 0.295 14.619 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -5.944 0.976 15.675 1.00 2.39 H new ATOM 54 N GLU A 5 -2.464 2.097 13.137 1.00 1.00 N ATOM 55 CA GLU A 5 -1.336 1.428 12.426 1.00 0.81 C ATOM 56 C GLU A 5 -1.216 -0.028 12.885 1.00 0.87 C ATOM 57 O GLU A 5 -1.289 -0.324 14.061 1.00 1.15 O ATOM 58 CB GLU A 5 -0.088 2.218 12.824 1.00 0.95 C ATOM 59 CG GLU A 5 -0.291 3.701 12.502 1.00 1.46 C ATOM 60 CD GLU A 5 1.068 4.401 12.448 1.00 1.82 C ATOM 61 OE1 GLU A 5 1.647 4.611 13.501 1.00 2.19 O ATOM 62 OE2 GLU A 5 1.507 4.716 11.353 1.00 2.50 O ATOM 0 H GLU A 5 -2.191 2.702 13.911 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.480 1.413 11.346 1.00 0.81 H new ATOM 0 HB2 GLU A 5 0.110 2.091 13.888 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.782 1.836 12.290 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -0.806 3.810 11.548 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.922 4.166 13.260 1.00 1.46 H new ATOM 69 N GLU A 6 -1.039 -0.944 11.969 1.00 0.79 N ATOM 70 CA GLU A 6 -0.926 -2.378 12.366 1.00 1.04 C ATOM 71 C GLU A 6 0.322 -3.024 11.750 1.00 1.10 C ATOM 72 O GLU A 6 0.481 -3.072 10.546 1.00 1.76 O ATOM 73 CB GLU A 6 -2.192 -3.032 11.815 1.00 1.28 C ATOM 74 CG GLU A 6 -3.271 -3.053 12.900 1.00 1.68 C ATOM 75 CD GLU A 6 -4.632 -3.340 12.264 1.00 1.97 C ATOM 76 OE1 GLU A 6 -5.075 -2.528 11.469 1.00 2.63 O ATOM 77 OE2 GLU A 6 -5.208 -4.367 12.584 1.00 2.24 O ATOM 0 H GLU A 6 -0.968 -0.762 10.968 1.00 0.79 H new ATOM 0 HA GLU A 6 -0.830 -2.495 13.445 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.548 -2.482 10.944 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -1.975 -4.048 11.484 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -3.038 -3.815 13.644 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -3.296 -2.096 13.421 1.00 1.68 H new ATOM 84 N ASP A 7 1.200 -3.536 12.574 1.00 1.27 N ATOM 85 CA ASP A 7 2.437 -4.201 12.056 1.00 1.35 C ATOM 86 C ASP A 7 3.113 -3.356 10.970 1.00 1.28 C ATOM 87 O ASP A 7 3.130 -3.719 9.812 1.00 2.01 O ATOM 88 CB ASP A 7 1.950 -5.527 11.470 1.00 1.53 C ATOM 89 CG ASP A 7 1.330 -6.378 12.580 1.00 1.92 C ATOM 90 OD1 ASP A 7 1.954 -6.505 13.620 1.00 2.57 O ATOM 91 OD2 ASP A 7 0.240 -6.885 12.372 1.00 2.36 O ATOM 0 H ASP A 7 1.114 -3.523 13.590 1.00 1.27 H new ATOM 0 HA ASP A 7 3.180 -4.336 12.842 1.00 1.35 H new ATOM 0 HB2 ASP A 7 1.216 -5.342 10.686 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.781 -6.061 11.009 1.00 1.53 H new ATOM 96 N HIS A 8 3.681 -2.238 11.337 1.00 1.21 N ATOM 97 CA HIS A 8 4.367 -1.376 10.323 1.00 1.11 C ATOM 98 C HIS A 8 3.471 -1.160 9.096 1.00 0.81 C ATOM 99 O HIS A 8 3.943 -0.893 8.009 1.00 0.87 O ATOM 100 CB HIS A 8 5.629 -2.149 9.941 1.00 1.32 C ATOM 101 CG HIS A 8 6.469 -2.372 11.168 1.00 1.61 C ATOM 102 ND1 HIS A 8 7.569 -1.584 11.464 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.381 -3.291 12.185 1.00 2.02 C ATOM 104 CE1 HIS A 8 8.095 -2.038 12.617 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.410 -3.078 13.099 1.00 2.33 N ATOM 0 H HIS A 8 3.701 -1.883 12.293 1.00 1.21 H new ATOM 0 HA HIS A 8 4.595 -0.385 10.715 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.361 -3.105 9.492 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.197 -1.594 9.194 1.00 1.32 H new ATOM 0 HD2 HIS A 8 5.628 -4.062 12.264 1.00 2.02 H new ATOM 0 HE1 HIS A 8 8.965 -1.613 13.094 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.600 -3.603 13.953 1.00 2.33 H new ATOM 113 N VAL A 9 2.185 -1.268 9.271 1.00 0.69 N ATOM 114 CA VAL A 9 1.244 -1.064 8.132 1.00 0.49 C ATOM 115 C VAL A 9 -0.087 -0.560 8.683 1.00 0.41 C ATOM 116 O VAL A 9 -0.713 -1.213 9.493 1.00 0.54 O ATOM 117 CB VAL A 9 1.078 -2.446 7.494 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.019 -2.373 6.392 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.412 -2.895 6.893 1.00 0.89 C ATOM 0 H VAL A 9 1.740 -1.491 10.161 1.00 0.69 H new ATOM 0 HA VAL A 9 1.603 -0.336 7.405 1.00 0.49 H new ATOM 0 HB VAL A 9 0.764 -3.162 8.253 1.00 0.68 H new ATOM 0 HG11 VAL A 9 -0.101 -3.356 5.937 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.931 -2.054 6.821 1.00 0.88 H new ATOM 0 HG13 VAL A 9 0.333 -1.657 5.632 1.00 0.88 H new ATOM 0 HG21 VAL A 9 2.294 -3.879 6.439 1.00 0.89 H new ATOM 0 HG22 VAL A 9 2.728 -2.180 6.133 1.00 0.89 H new ATOM 0 HG23 VAL A 9 3.166 -2.946 7.678 1.00 0.89 H new ATOM 129 N LEU A 10 -0.520 0.602 8.278 1.00 0.41 N ATOM 130 CA LEU A 10 -1.800 1.131 8.825 1.00 0.54 C ATOM 131 C LEU A 10 -2.950 0.952 7.834 1.00 0.42 C ATOM 132 O LEU A 10 -2.789 0.420 6.753 1.00 0.59 O ATOM 133 CB LEU A 10 -1.514 2.614 9.151 1.00 0.83 C ATOM 134 CG LEU A 10 -1.814 3.550 7.964 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.334 4.955 8.314 1.00 1.49 C ATOM 136 CD2 LEU A 10 -1.081 3.080 6.707 1.00 1.30 C ATOM 0 H LEU A 10 -0.049 1.202 7.600 1.00 0.41 H new ATOM 0 HA LEU A 10 -2.123 0.592 9.715 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -2.115 2.916 10.008 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.469 2.724 9.440 1.00 0.83 H new ATOM 0 HG LEU A 10 -2.887 3.543 7.771 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.540 5.628 7.482 1.00 1.49 H new ATOM 0 HD12 LEU A 10 -1.857 5.307 9.203 1.00 1.49 H new ATOM 0 HD13 LEU A 10 -0.261 4.935 8.507 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -1.306 3.754 5.881 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -0.007 3.078 6.891 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -1.407 2.072 6.451 1.00 1.30 H new ATOM 148 N VAL A 11 -4.107 1.399 8.210 1.00 0.54 N ATOM 149 CA VAL A 11 -5.291 1.270 7.317 1.00 0.46 C ATOM 150 C VAL A 11 -5.714 2.647 6.804 1.00 0.43 C ATOM 151 O VAL A 11 -5.618 3.637 7.500 1.00 0.54 O ATOM 152 CB VAL A 11 -6.385 0.659 8.194 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.920 -0.705 8.709 1.00 1.04 C ATOM 154 CG2 VAL A 11 -6.668 1.583 9.380 1.00 1.39 C ATOM 0 H VAL A 11 -4.289 1.853 9.105 1.00 0.54 H new ATOM 0 HA VAL A 11 -5.085 0.655 6.441 1.00 0.46 H new ATOM 0 HB VAL A 11 -7.295 0.537 7.607 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.698 -1.142 9.334 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -5.720 -1.364 7.864 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -5.010 -0.581 9.296 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -7.448 1.146 10.004 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -5.759 1.708 9.969 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -6.999 2.555 9.013 1.00 1.39 H new ATOM 164 N LEU A 12 -6.176 2.713 5.588 1.00 0.40 N ATOM 165 CA LEU A 12 -6.604 4.022 5.020 1.00 0.45 C ATOM 166 C LEU A 12 -8.115 4.191 5.163 1.00 0.44 C ATOM 167 O LEU A 12 -8.797 3.330 5.679 1.00 0.58 O ATOM 168 CB LEU A 12 -6.199 3.951 3.546 1.00 0.63 C ATOM 169 CG LEU A 12 -5.566 5.275 3.105 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.380 5.616 4.013 1.00 0.82 C ATOM 171 CD2 LEU A 12 -5.074 5.139 1.664 1.00 1.16 C ATOM 0 H LEU A 12 -6.276 1.915 4.961 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.148 4.871 5.529 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.493 3.134 3.394 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -7.073 3.735 2.931 1.00 0.63 H new ATOM 0 HG LEU A 12 -6.309 6.070 3.173 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.936 6.558 3.693 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.725 5.709 5.043 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -3.634 4.824 3.950 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -4.622 6.078 1.344 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -4.333 4.342 1.606 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -5.915 4.900 1.013 1.00 1.16 H new ATOM 183 N ARG A 13 -8.638 5.299 4.718 1.00 0.47 N ATOM 184 CA ARG A 13 -10.108 5.537 4.832 1.00 0.55 C ATOM 185 C ARG A 13 -10.531 6.710 3.942 1.00 0.54 C ATOM 186 O ARG A 13 -9.721 7.524 3.545 1.00 0.73 O ATOM 187 CB ARG A 13 -10.345 5.886 6.304 1.00 0.69 C ATOM 188 CG ARG A 13 -10.658 4.615 7.093 1.00 1.19 C ATOM 189 CD ARG A 13 -11.928 4.831 7.918 1.00 1.28 C ATOM 190 NE ARG A 13 -11.625 4.233 9.248 1.00 1.86 N ATOM 191 CZ ARG A 13 -12.283 3.181 9.653 1.00 2.30 C ATOM 192 NH1 ARG A 13 -11.982 2.002 9.180 1.00 2.84 N ATOM 193 NH2 ARG A 13 -13.238 3.307 10.532 1.00 2.68 N ATOM 0 H ARG A 13 -8.111 6.054 4.279 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.685 4.668 4.515 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.463 6.374 6.718 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -11.171 6.592 6.392 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.792 3.774 6.412 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.823 4.365 7.748 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -12.167 5.891 8.006 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.788 4.348 7.454 1.00 1.28 H new ATOM 0 HE ARG A 13 -10.905 4.645 9.841 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -11.233 1.903 8.495 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -12.496 1.179 9.496 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -13.471 4.228 10.903 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -13.752 2.485 10.848 1.00 2.68 H new ATOM 207 N LYS A 14 -11.799 6.799 3.629 1.00 0.58 N ATOM 208 CA LYS A 14 -12.300 7.916 2.768 1.00 0.63 C ATOM 209 C LYS A 14 -11.708 9.262 3.206 1.00 0.65 C ATOM 210 O LYS A 14 -11.538 10.163 2.409 1.00 0.83 O ATOM 211 CB LYS A 14 -13.816 7.914 2.972 1.00 0.74 C ATOM 212 CG LYS A 14 -14.506 7.471 1.680 1.00 1.26 C ATOM 213 CD LYS A 14 -15.216 8.669 1.045 1.00 1.92 C ATOM 214 CE LYS A 14 -16.555 8.901 1.751 1.00 2.26 C ATOM 215 NZ LYS A 14 -16.731 10.379 1.759 1.00 2.80 N ATOM 0 H LYS A 14 -12.515 6.141 3.935 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.016 7.780 1.724 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.083 7.242 3.788 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.157 8.910 3.255 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.773 7.059 0.986 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -15.224 6.679 1.892 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -14.592 9.559 1.124 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.379 8.488 -0.017 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -17.371 8.409 1.222 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.543 8.499 2.764 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -17.628 10.619 2.227 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -15.943 10.820 2.275 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -16.745 10.732 0.781 1.00 2.80 H new ATOM 229 N SER A 15 -11.393 9.407 4.465 1.00 0.68 N ATOM 230 CA SER A 15 -10.814 10.697 4.943 1.00 0.88 C ATOM 231 C SER A 15 -9.324 10.528 5.252 1.00 0.81 C ATOM 232 O SER A 15 -8.567 11.478 5.243 1.00 1.05 O ATOM 233 CB SER A 15 -11.591 11.036 6.215 1.00 1.10 C ATOM 234 OG SER A 15 -11.724 12.445 6.327 1.00 1.68 O ATOM 0 H SER A 15 -11.511 8.691 5.182 1.00 0.68 H new ATOM 0 HA SER A 15 -10.895 11.486 4.195 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.575 10.568 6.188 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.073 10.638 7.087 1.00 1.10 H new ATOM 0 HG SER A 15 -12.224 12.663 7.141 1.00 1.68 H new ATOM 240 N ASN A 16 -8.899 9.325 5.524 1.00 0.65 N ATOM 241 CA ASN A 16 -7.460 9.092 5.834 1.00 0.68 C ATOM 242 C ASN A 16 -6.658 8.969 4.534 1.00 0.55 C ATOM 243 O ASN A 16 -5.462 9.178 4.508 1.00 0.56 O ATOM 244 CB ASN A 16 -7.441 7.775 6.606 1.00 0.87 C ATOM 245 CG ASN A 16 -6.016 7.453 7.055 1.00 0.91 C ATOM 246 OD1 ASN A 16 -5.127 8.272 6.937 1.00 1.74 O ATOM 247 ND2 ASN A 16 -5.763 6.279 7.568 1.00 0.98 N ATOM 0 H ASN A 16 -9.487 8.492 5.545 1.00 0.65 H new ATOM 0 HA ASN A 16 -7.015 9.907 6.405 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.098 7.843 7.473 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -7.824 6.970 5.978 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -4.817 6.048 7.871 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.512 5.593 7.666 1.00 0.98 H new ATOM 254 N PHE A 17 -7.310 8.633 3.455 1.00 0.55 N ATOM 255 CA PHE A 17 -6.586 8.502 2.158 1.00 0.51 C ATOM 256 C PHE A 17 -5.867 9.810 1.822 1.00 0.46 C ATOM 257 O PHE A 17 -4.656 9.866 1.757 1.00 0.52 O ATOM 258 CB PHE A 17 -7.676 8.209 1.127 1.00 0.56 C ATOM 259 CG PHE A 17 -7.039 7.900 -0.206 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.465 8.927 -0.963 1.00 0.79 C ATOM 261 CD2 PHE A 17 -7.023 6.584 -0.685 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.874 8.639 -2.199 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.433 6.297 -1.920 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.859 7.328 -2.679 1.00 0.87 C ATOM 0 H PHE A 17 -8.311 8.444 3.415 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.827 7.720 2.183 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.285 7.366 1.455 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.343 9.066 1.033 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.478 9.942 -0.594 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.466 5.791 -0.101 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.429 9.432 -2.782 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.419 5.282 -2.289 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.406 7.108 -3.634 1.00 0.87 H new ATOM 274 N ALA A 18 -6.606 10.864 1.611 1.00 0.52 N ATOM 275 CA ALA A 18 -5.967 12.171 1.282 1.00 0.66 C ATOM 276 C ALA A 18 -5.010 12.585 2.402 1.00 0.59 C ATOM 277 O ALA A 18 -4.115 13.384 2.204 1.00 0.75 O ATOM 278 CB ALA A 18 -7.124 13.163 1.171 1.00 0.84 C ATOM 0 H ALA A 18 -7.625 10.878 1.652 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.382 12.126 0.363 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.734 14.152 0.930 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.806 12.840 0.384 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.659 13.206 2.120 1.00 0.84 H new ATOM 284 N GLU A 19 -5.189 12.046 3.576 1.00 0.46 N ATOM 285 CA GLU A 19 -4.288 12.404 4.707 1.00 0.49 C ATOM 286 C GLU A 19 -2.915 11.767 4.497 1.00 0.48 C ATOM 287 O GLU A 19 -1.926 12.446 4.307 1.00 0.56 O ATOM 288 CB GLU A 19 -4.966 11.828 5.950 1.00 0.55 C ATOM 289 CG GLU A 19 -4.251 12.332 7.204 1.00 0.69 C ATOM 290 CD GLU A 19 -5.217 12.299 8.390 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.809 11.258 8.618 1.00 1.66 O ATOM 292 OE2 GLU A 19 -5.348 13.317 9.050 1.00 1.78 O ATOM 0 H GLU A 19 -5.921 11.372 3.801 1.00 0.46 H new ATOM 0 HA GLU A 19 -4.132 13.479 4.794 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -6.015 12.123 5.974 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.942 10.739 5.918 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.380 11.711 7.413 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.888 13.347 7.045 1.00 0.69 H new ATOM 299 N ALA A 20 -2.848 10.465 4.522 1.00 0.45 N ATOM 300 CA ALA A 20 -1.539 9.784 4.316 1.00 0.53 C ATOM 301 C ALA A 20 -0.924 10.236 2.992 1.00 0.57 C ATOM 302 O ALA A 20 0.270 10.440 2.883 1.00 0.71 O ATOM 303 CB ALA A 20 -1.869 8.291 4.278 1.00 0.57 C ATOM 0 H ALA A 20 -3.642 9.844 4.676 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.818 10.017 5.100 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.953 7.720 4.129 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.331 7.996 5.220 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.559 8.092 3.458 1.00 0.57 H new ATOM 309 N LEU A 21 -1.735 10.403 1.986 1.00 0.55 N ATOM 310 CA LEU A 21 -1.208 10.852 0.666 1.00 0.69 C ATOM 311 C LEU A 21 -0.426 12.155 0.836 1.00 0.75 C ATOM 312 O LEU A 21 0.622 12.346 0.252 1.00 0.92 O ATOM 313 CB LEU A 21 -2.453 11.083 -0.194 1.00 0.74 C ATOM 314 CG LEU A 21 -2.706 9.875 -1.110 1.00 0.84 C ATOM 315 CD1 LEU A 21 -1.608 9.803 -2.173 1.00 1.44 C ATOM 316 CD2 LEU A 21 -2.711 8.579 -0.292 1.00 0.90 C ATOM 0 H LEU A 21 -2.743 10.248 2.020 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.530 10.126 0.216 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.319 11.249 0.447 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.325 11.983 -0.796 1.00 0.74 H new ATOM 0 HG LEU A 21 -3.677 9.993 -1.591 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -1.787 8.947 -2.823 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -1.616 10.717 -2.767 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -0.638 9.694 -1.688 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -2.891 7.732 -0.954 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -1.746 8.456 0.201 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -3.499 8.626 0.460 1.00 0.90 H new ATOM 328 N ALA A 22 -0.931 13.047 1.639 1.00 0.71 N ATOM 329 CA ALA A 22 -0.226 14.341 1.862 1.00 0.85 C ATOM 330 C ALA A 22 0.405 14.365 3.258 1.00 0.89 C ATOM 331 O ALA A 22 0.760 15.408 3.771 1.00 1.08 O ATOM 332 CB ALA A 22 -1.314 15.408 1.746 1.00 1.00 C ATOM 0 H ALA A 22 -1.805 12.937 2.153 1.00 0.71 H new ATOM 0 HA ALA A 22 0.581 14.502 1.147 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.875 16.394 1.898 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.765 15.361 0.755 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.079 15.231 2.502 1.00 1.00 H new ATOM 338 N ALA A 23 0.551 13.223 3.879 1.00 0.86 N ATOM 339 CA ALA A 23 1.159 13.184 5.239 1.00 0.93 C ATOM 340 C ALA A 23 2.682 13.067 5.133 1.00 0.85 C ATOM 341 O ALA A 23 3.412 13.578 5.957 1.00 0.95 O ATOM 342 CB ALA A 23 0.571 11.938 5.902 1.00 1.05 C ATOM 0 H ALA A 23 0.275 12.317 3.502 1.00 0.86 H new ATOM 0 HA ALA A 23 0.948 14.087 5.811 1.00 0.93 H new ATOM 0 HB1 ALA A 23 0.972 11.839 6.911 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.514 12.029 5.950 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.836 11.056 5.319 1.00 1.05 H new ATOM 348 N HIS A 24 3.166 12.396 4.122 1.00 0.83 N ATOM 349 CA HIS A 24 4.641 12.248 3.965 1.00 0.84 C ATOM 350 C HIS A 24 5.024 12.231 2.481 1.00 0.82 C ATOM 351 O HIS A 24 5.384 13.244 1.914 1.00 1.30 O ATOM 352 CB HIS A 24 4.978 10.911 4.629 1.00 0.95 C ATOM 353 CG HIS A 24 5.118 11.109 6.114 1.00 1.22 C ATOM 354 ND1 HIS A 24 4.189 11.173 7.122 1.00 1.80 N flip ATOM 355 CD2 HIS A 24 6.352 11.268 6.725 1.00 1.84 C flip ATOM 356 CE1 HIS A 24 4.833 11.368 8.341 1.00 2.04 C flip ATOM 357 NE2 HIS A 24 6.135 11.420 8.044 1.00 2.00 N flip ATOM 0 H HIS A 24 2.605 11.945 3.400 1.00 0.83 H new ATOM 0 HA HIS A 24 5.188 13.075 4.417 1.00 0.84 H new ATOM 0 HB2 HIS A 24 4.195 10.182 4.421 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.904 10.511 4.216 1.00 0.95 H new ATOM 0 HD2 HIS A 24 7.313 11.270 6.232 1.00 1.84 H new ATOM 0 HE1 HIS A 24 4.378 11.458 9.316 1.00 2.04 H new ATOM 0 HE2 HIS A 24 6.874 11.558 8.733 1.00 2.00 H new ATOM 365 N LYS A 25 4.952 11.092 1.846 1.00 0.72 N ATOM 366 CA LYS A 25 5.318 11.020 0.396 1.00 0.69 C ATOM 367 C LYS A 25 4.986 9.633 -0.172 1.00 0.59 C ATOM 368 O LYS A 25 3.948 9.435 -0.771 1.00 0.68 O ATOM 369 CB LYS A 25 6.836 11.306 0.297 1.00 0.81 C ATOM 370 CG LYS A 25 7.599 10.797 1.532 1.00 1.20 C ATOM 371 CD LYS A 25 7.930 11.978 2.447 1.00 1.51 C ATOM 372 CE LYS A 25 9.447 12.087 2.616 1.00 2.06 C ATOM 373 NZ LYS A 25 9.656 13.325 3.418 1.00 2.47 N ATOM 0 H LYS A 25 4.657 10.210 2.264 1.00 0.72 H new ATOM 0 HA LYS A 25 4.753 11.749 -0.185 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.237 10.831 -0.598 1.00 0.81 H new ATOM 0 HB3 LYS A 25 6.997 12.379 0.188 1.00 0.81 H new ATOM 0 HG2 LYS A 25 6.997 10.064 2.069 1.00 1.20 H new ATOM 0 HG3 LYS A 25 8.515 10.293 1.225 1.00 1.20 H new ATOM 0 HD2 LYS A 25 7.534 12.901 2.024 1.00 1.51 H new ATOM 0 HD3 LYS A 25 7.454 11.843 3.418 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.851 11.213 3.126 1.00 2.06 H new ATOM 0 HE3 LYS A 25 9.948 12.153 1.650 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 10.674 13.468 3.576 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 9.267 14.141 2.904 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 9.173 13.231 4.334 1.00 2.47 H new ATOM 387 N TYR A 26 5.855 8.675 0.001 1.00 0.52 N ATOM 388 CA TYR A 26 5.579 7.312 -0.538 1.00 0.48 C ATOM 389 C TYR A 26 4.578 6.583 0.363 1.00 0.46 C ATOM 390 O TYR A 26 4.918 6.122 1.434 1.00 0.53 O ATOM 391 CB TYR A 26 6.929 6.591 -0.522 1.00 0.56 C ATOM 392 CG TYR A 26 7.958 7.413 -1.264 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.646 7.966 -2.511 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.222 7.619 -0.701 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.601 8.728 -3.196 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.177 8.381 -1.386 1.00 1.31 C ATOM 397 CZ TYR A 26 9.866 8.935 -2.633 1.00 1.08 C ATOM 398 OH TYR A 26 10.808 9.685 -3.309 1.00 1.33 O ATOM 0 H TYR A 26 6.743 8.776 0.492 1.00 0.52 H new ATOM 0 HA TYR A 26 5.148 7.347 -1.539 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.253 6.429 0.506 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.832 5.609 -0.985 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.670 7.805 -2.945 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.461 7.191 0.261 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.362 9.156 -4.158 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.153 8.541 -0.952 1.00 1.31 H new ATOM 0 HH TYR A 26 11.631 9.732 -2.779 1.00 1.33 H new ATOM 408 N LEU A 27 3.347 6.473 -0.059 1.00 0.46 N ATOM 409 CA LEU A 27 2.336 5.772 0.784 1.00 0.45 C ATOM 410 C LEU A 27 1.748 4.576 0.032 1.00 0.40 C ATOM 411 O LEU A 27 0.938 4.728 -0.859 1.00 0.50 O ATOM 412 CB LEU A 27 1.249 6.813 1.056 1.00 0.51 C ATOM 413 CG LEU A 27 1.620 7.631 2.294 1.00 0.77 C ATOM 414 CD1 LEU A 27 1.742 6.706 3.508 1.00 0.66 C ATOM 415 CD2 LEU A 27 2.956 8.332 2.053 1.00 1.93 C ATOM 0 H LEU A 27 2.999 6.836 -0.946 1.00 0.46 H new ATOM 0 HA LEU A 27 2.773 5.385 1.705 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.137 7.470 0.194 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.289 6.320 1.208 1.00 0.51 H new ATOM 0 HG LEU A 27 0.844 8.373 2.484 1.00 0.77 H new ATOM 0 HD11 LEU A 27 2.006 7.293 4.388 1.00 0.66 H new ATOM 0 HD12 LEU A 27 0.790 6.204 3.680 1.00 0.66 H new ATOM 0 HD13 LEU A 27 2.517 5.962 3.322 1.00 0.66 H new ATOM 0 HD21 LEU A 27 3.224 8.916 2.933 1.00 1.93 H new ATOM 0 HD22 LEU A 27 3.729 7.587 1.863 1.00 1.93 H new ATOM 0 HD23 LEU A 27 2.870 8.993 1.191 1.00 1.93 H new ATOM 427 N LEU A 28 2.143 3.387 0.389 1.00 0.33 N ATOM 428 CA LEU A 28 1.598 2.187 -0.302 1.00 0.32 C ATOM 429 C LEU A 28 0.224 1.833 0.270 1.00 0.29 C ATOM 430 O LEU A 28 0.051 1.720 1.467 1.00 0.35 O ATOM 431 CB LEU A 28 2.603 1.073 -0.015 1.00 0.40 C ATOM 432 CG LEU A 28 2.296 -0.130 -0.903 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.716 0.185 -2.338 1.00 0.73 C ATOM 434 CD2 LEU A 28 3.068 -1.349 -0.394 1.00 1.12 C ATOM 0 H LEU A 28 2.819 3.194 1.128 1.00 0.33 H new ATOM 0 HA LEU A 28 1.467 2.348 -1.372 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.617 1.427 -0.201 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.553 0.785 1.035 1.00 0.40 H new ATOM 0 HG LEU A 28 1.228 -0.345 -0.876 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.499 -0.671 -2.977 1.00 0.73 H new ATOM 0 HD12 LEU A 28 2.164 1.054 -2.696 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.785 0.397 -2.366 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.849 -2.209 -1.027 1.00 1.12 H new ATOM 0 HD22 LEU A 28 4.137 -1.140 -0.422 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.768 -1.568 0.631 1.00 1.12 H new ATOM 446 N VAL A 29 -0.756 1.661 -0.574 1.00 0.32 N ATOM 447 CA VAL A 29 -2.117 1.320 -0.073 1.00 0.32 C ATOM 448 C VAL A 29 -2.669 0.102 -0.818 1.00 0.34 C ATOM 449 O VAL A 29 -2.578 0.006 -2.025 1.00 0.47 O ATOM 450 CB VAL A 29 -2.966 2.556 -0.366 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.374 2.353 0.198 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.326 3.782 0.288 1.00 0.77 C ATOM 0 H VAL A 29 -0.673 1.742 -1.587 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.114 1.067 0.987 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.025 2.709 -1.444 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.980 3.235 -0.011 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.830 1.480 -0.269 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.316 2.200 1.276 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.932 4.664 0.079 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.266 3.630 1.366 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.323 3.927 -0.114 1.00 0.77 H new ATOM 462 N GLU A 30 -3.246 -0.826 -0.105 1.00 0.32 N ATOM 463 CA GLU A 30 -3.808 -2.038 -0.770 1.00 0.39 C ATOM 464 C GLU A 30 -5.314 -2.127 -0.495 1.00 0.36 C ATOM 465 O GLU A 30 -5.771 -1.877 0.602 1.00 0.42 O ATOM 466 CB GLU A 30 -3.058 -3.215 -0.138 1.00 0.52 C ATOM 467 CG GLU A 30 -3.718 -4.539 -0.540 1.00 0.64 C ATOM 468 CD GLU A 30 -3.051 -5.691 0.217 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.925 -6.020 -0.117 1.00 1.48 O ATOM 470 OE2 GLU A 30 -3.678 -6.221 1.119 1.00 1.60 O ATOM 0 H GLU A 30 -3.353 -0.798 0.909 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.687 -2.023 -1.853 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.016 -3.207 -0.459 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.058 -3.115 0.947 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.784 -4.510 -0.314 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.624 -4.693 -1.615 1.00 0.64 H new ATOM 477 N PHE A 31 -6.087 -2.475 -1.487 1.00 0.35 N ATOM 478 CA PHE A 31 -7.558 -2.572 -1.289 1.00 0.36 C ATOM 479 C PHE A 31 -8.001 -4.038 -1.271 1.00 0.39 C ATOM 480 O PHE A 31 -7.826 -4.760 -2.233 1.00 0.49 O ATOM 481 CB PHE A 31 -8.152 -1.857 -2.500 1.00 0.41 C ATOM 482 CG PHE A 31 -7.757 -0.399 -2.476 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.474 -0.016 -2.882 1.00 0.45 C ATOM 484 CD2 PHE A 31 -8.673 0.566 -2.044 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.106 1.335 -2.857 1.00 0.52 C ATOM 486 CE2 PHE A 31 -8.306 1.917 -2.017 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.028 2.303 -2.437 1.00 0.53 C ATOM 0 H PHE A 31 -5.761 -2.697 -2.428 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.879 -2.134 -0.344 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.799 -2.324 -3.419 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.238 -1.950 -2.492 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -5.768 -0.762 -3.215 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -9.663 0.269 -1.731 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.113 1.630 -3.161 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.009 2.661 -1.672 1.00 0.59 H new ATOM 0 HZ PHE A 31 -6.752 3.347 -2.437 1.00 0.53 H new ATOM 497 N TYR A 32 -8.582 -4.483 -0.190 1.00 0.37 N ATOM 498 CA TYR A 32 -9.042 -5.901 -0.128 1.00 0.44 C ATOM 499 C TYR A 32 -10.324 -6.011 0.699 1.00 0.40 C ATOM 500 O TYR A 32 -10.967 -5.026 1.005 1.00 0.45 O ATOM 501 CB TYR A 32 -7.903 -6.675 0.544 1.00 0.54 C ATOM 502 CG TYR A 32 -7.731 -6.210 1.974 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.243 -4.926 2.242 1.00 0.58 C ATOM 504 CD2 TYR A 32 -8.065 -7.067 3.031 1.00 0.66 C ATOM 505 CE1 TYR A 32 -7.090 -4.498 3.567 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.911 -6.638 4.355 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.424 -5.353 4.623 1.00 0.77 C ATOM 508 OH TYR A 32 -7.272 -4.931 5.929 1.00 0.94 O ATOM 0 H TYR A 32 -8.758 -3.930 0.649 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.268 -6.295 -1.119 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.118 -7.743 0.524 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.976 -6.526 -0.009 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.984 -4.265 1.428 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.441 -8.058 2.825 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.714 -3.507 3.774 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -8.168 -7.299 5.170 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.551 -5.646 6.538 1.00 0.94 H new ATOM 518 N ALA A 33 -10.693 -7.205 1.064 1.00 0.40 N ATOM 519 CA ALA A 33 -11.928 -7.389 1.876 1.00 0.44 C ATOM 520 C ALA A 33 -11.707 -8.483 2.928 1.00 0.53 C ATOM 521 O ALA A 33 -10.827 -9.308 2.781 1.00 0.56 O ATOM 522 CB ALA A 33 -13.001 -7.816 0.874 1.00 0.49 C ATOM 0 H ALA A 33 -10.192 -8.064 0.835 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.211 -6.483 2.412 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.945 -7.972 1.396 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.127 -7.037 0.122 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.697 -8.744 0.389 1.00 0.49 H new ATOM 528 N PRO A 34 -12.521 -8.463 3.956 1.00 0.63 N ATOM 529 CA PRO A 34 -12.406 -9.480 5.031 1.00 0.78 C ATOM 530 C PRO A 34 -12.834 -10.856 4.509 1.00 0.82 C ATOM 531 O PRO A 34 -12.567 -11.872 5.120 1.00 0.96 O ATOM 532 CB PRO A 34 -13.366 -8.978 6.105 1.00 0.90 C ATOM 533 CG PRO A 34 -14.355 -8.134 5.367 1.00 0.81 C ATOM 534 CD PRO A 34 -13.617 -7.517 4.211 1.00 0.66 C ATOM 0 HA PRO A 34 -11.389 -9.600 5.403 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.856 -9.807 6.616 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.842 -8.400 6.866 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -15.192 -8.737 5.015 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.769 -7.364 6.018 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.261 -7.405 3.339 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.241 -6.525 4.459 1.00 0.66 H new ATOM 542 N TRP A 35 -13.496 -10.899 3.383 1.00 0.74 N ATOM 543 CA TRP A 35 -13.935 -12.211 2.827 1.00 0.83 C ATOM 544 C TRP A 35 -13.024 -12.634 1.667 1.00 0.78 C ATOM 545 O TRP A 35 -13.068 -13.763 1.218 1.00 0.92 O ATOM 546 CB TRP A 35 -15.367 -11.979 2.339 1.00 0.91 C ATOM 547 CG TRP A 35 -15.373 -10.954 1.250 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.584 -9.630 1.428 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.166 -11.146 -0.180 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.519 -8.996 0.200 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.262 -9.889 -0.822 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.905 -12.278 -0.973 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.106 -9.760 -2.203 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.747 -12.151 -2.363 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.849 -10.894 -2.976 1.00 2.26 C ATOM 0 H TRP A 35 -13.751 -10.084 2.826 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.885 -13.009 3.568 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.792 -12.914 1.973 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.993 -11.647 3.167 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.773 -9.146 2.375 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.645 -7.993 0.066 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.826 -13.251 -0.510 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.184 -8.790 -2.671 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.546 -13.026 -2.963 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -14.729 -10.803 -4.045 1.00 2.26 H new ATOM 566 N CYS A 36 -12.197 -11.745 1.176 1.00 0.65 N ATOM 567 CA CYS A 36 -11.293 -12.116 0.049 1.00 0.67 C ATOM 568 C CYS A 36 -10.505 -13.384 0.398 1.00 0.84 C ATOM 569 O CYS A 36 -10.198 -13.638 1.546 1.00 1.63 O ATOM 570 CB CYS A 36 -10.351 -10.922 -0.107 1.00 0.58 C ATOM 571 SG CYS A 36 -9.357 -11.126 -1.605 1.00 1.07 S ATOM 0 H CYS A 36 -12.110 -10.784 1.506 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.840 -12.327 -0.870 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.925 -9.997 -0.163 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.701 -10.842 0.765 1.00 0.58 H new ATOM 576 N GLY A 37 -10.179 -14.183 -0.582 1.00 0.96 N ATOM 577 CA GLY A 37 -9.415 -15.432 -0.301 1.00 1.08 C ATOM 578 C GLY A 37 -7.955 -15.250 -0.722 1.00 1.00 C ATOM 579 O GLY A 37 -7.044 -15.627 -0.013 1.00 1.83 O ATOM 0 H GLY A 37 -10.408 -14.025 -1.563 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.470 -15.672 0.761 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.857 -16.269 -0.841 1.00 1.08 H new ATOM 583 N HIS A 38 -7.726 -14.676 -1.872 1.00 0.89 N ATOM 584 CA HIS A 38 -6.321 -14.473 -2.336 1.00 0.97 C ATOM 585 C HIS A 38 -5.703 -13.232 -1.681 1.00 0.88 C ATOM 586 O HIS A 38 -4.591 -12.851 -1.990 1.00 1.13 O ATOM 587 CB HIS A 38 -6.431 -14.281 -3.849 1.00 1.32 C ATOM 588 CG HIS A 38 -6.316 -15.615 -4.534 1.00 1.72 C ATOM 589 ND1 HIS A 38 -5.130 -16.331 -4.563 1.00 2.39 N ATOM 590 CD2 HIS A 38 -7.229 -16.374 -5.224 1.00 2.35 C ATOM 591 CE1 HIS A 38 -5.358 -17.467 -5.248 1.00 2.85 C ATOM 592 NE2 HIS A 38 -6.621 -17.544 -5.673 1.00 2.87 N ATOM 0 H HIS A 38 -8.448 -14.339 -2.509 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.680 -15.314 -2.071 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.383 -13.813 -4.099 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.645 -13.612 -4.199 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -8.261 -16.105 -5.393 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -4.610 -18.224 -5.431 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -7.049 -18.298 -6.211 1.00 2.87 H new ATOM 600 N CYS A 39 -6.400 -12.601 -0.774 1.00 0.79 N ATOM 601 CA CYS A 39 -5.828 -11.397 -0.107 1.00 0.88 C ATOM 602 C CYS A 39 -5.088 -11.802 1.172 1.00 0.82 C ATOM 603 O CYS A 39 -4.760 -10.974 1.997 1.00 1.00 O ATOM 604 CB CYS A 39 -7.035 -10.521 0.226 1.00 1.08 C ATOM 605 SG CYS A 39 -7.777 -9.910 -1.307 1.00 1.00 S ATOM 0 H CYS A 39 -7.336 -12.866 -0.468 1.00 0.79 H new ATOM 0 HA CYS A 39 -5.108 -10.877 -0.738 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.768 -11.094 0.794 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.728 -9.684 0.853 1.00 1.08 H new ATOM 610 N LYS A 40 -4.823 -13.070 1.340 1.00 0.78 N ATOM 611 CA LYS A 40 -4.104 -13.524 2.565 1.00 0.94 C ATOM 612 C LYS A 40 -2.747 -14.127 2.192 1.00 0.84 C ATOM 613 O LYS A 40 -1.851 -14.217 3.008 1.00 0.94 O ATOM 614 CB LYS A 40 -5.016 -14.578 3.205 1.00 1.21 C ATOM 615 CG LYS A 40 -5.110 -15.819 2.308 1.00 1.56 C ATOM 616 CD LYS A 40 -3.945 -16.762 2.615 1.00 2.11 C ATOM 617 CE LYS A 40 -4.432 -18.213 2.546 1.00 2.72 C ATOM 618 NZ LYS A 40 -3.348 -18.951 1.843 1.00 3.29 N ATOM 0 H LYS A 40 -5.073 -13.809 0.683 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.902 -12.701 3.251 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.628 -14.858 4.184 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -6.010 -14.160 3.364 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.058 -16.330 2.475 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.086 -15.525 1.259 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -3.137 -16.604 1.901 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -3.542 -16.549 3.605 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -4.604 -18.619 3.543 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -5.375 -18.287 2.005 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -3.610 -19.954 1.758 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -3.212 -18.547 0.894 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -2.464 -18.869 2.385 1.00 3.29 H new ATOM 632 N ALA A 41 -2.585 -14.543 0.965 1.00 0.77 N ATOM 633 CA ALA A 41 -1.283 -15.139 0.547 1.00 0.86 C ATOM 634 C ALA A 41 -0.192 -14.064 0.516 1.00 0.75 C ATOM 635 O ALA A 41 0.982 -14.355 0.638 1.00 0.90 O ATOM 636 CB ALA A 41 -1.533 -15.692 -0.857 1.00 0.93 C ATOM 0 H ALA A 41 -3.296 -14.496 0.235 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.944 -15.913 1.235 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.619 -16.149 -1.236 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.324 -16.441 -0.818 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.835 -14.881 -1.519 1.00 0.93 H new ATOM 642 N LEU A 42 -0.568 -12.825 0.352 1.00 0.65 N ATOM 643 CA LEU A 42 0.450 -11.734 0.312 1.00 0.67 C ATOM 644 C LEU A 42 0.420 -10.929 1.615 1.00 0.63 C ATOM 645 O LEU A 42 1.386 -10.295 1.984 1.00 0.70 O ATOM 646 CB LEU A 42 0.041 -10.857 -0.871 1.00 0.82 C ATOM 647 CG LEU A 42 1.149 -9.842 -1.160 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.318 -10.546 -1.851 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.607 -8.740 -2.074 1.00 1.37 C ATOM 0 H LEU A 42 -1.535 -12.520 0.244 1.00 0.65 H new ATOM 0 HA LEU A 42 1.464 -12.119 0.204 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.139 -11.475 -1.751 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.892 -10.339 -0.648 1.00 0.82 H new ATOM 0 HG LEU A 42 1.491 -9.402 -0.223 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.108 -9.823 -2.057 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.705 -11.331 -1.202 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.975 -10.986 -2.788 1.00 1.24 H new ATOM 0 HD21 LEU A 42 1.396 -8.017 -2.280 1.00 1.37 H new ATOM 0 HD22 LEU A 42 0.265 -9.180 -3.011 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.226 -8.237 -1.583 1.00 1.37 H new ATOM 661 N ALA A 43 -0.686 -10.949 2.309 1.00 0.71 N ATOM 662 CA ALA A 43 -0.800 -10.188 3.589 1.00 0.73 C ATOM 663 C ALA A 43 0.440 -10.388 4.475 1.00 0.67 C ATOM 664 O ALA A 43 1.035 -9.424 4.916 1.00 0.65 O ATOM 665 CB ALA A 43 -2.041 -10.760 4.275 1.00 0.88 C ATOM 0 H ALA A 43 -1.524 -11.465 2.042 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.876 -9.115 3.411 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.197 -10.253 5.227 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.912 -10.609 3.637 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.901 -11.827 4.451 1.00 0.88 H new ATOM 671 N PRO A 44 0.794 -11.627 4.722 1.00 0.69 N ATOM 672 CA PRO A 44 1.975 -11.909 5.574 1.00 0.70 C ATOM 673 C PRO A 44 3.273 -11.549 4.848 1.00 0.59 C ATOM 674 O PRO A 44 4.327 -11.488 5.447 1.00 0.65 O ATOM 675 CB PRO A 44 1.883 -13.405 5.845 1.00 0.83 C ATOM 676 CG PRO A 44 1.084 -13.955 4.706 1.00 0.84 C ATOM 677 CD PRO A 44 0.150 -12.864 4.248 1.00 0.76 C ATOM 0 HA PRO A 44 1.984 -11.322 6.492 1.00 0.70 H new ATOM 0 HB2 PRO A 44 2.873 -13.860 5.889 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.398 -13.604 6.800 1.00 0.83 H new ATOM 0 HG2 PRO A 44 1.739 -14.267 3.892 1.00 0.84 H new ATOM 0 HG3 PRO A 44 0.523 -14.835 5.020 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.035 -12.865 3.164 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.846 -12.985 4.674 1.00 0.76 H new ATOM 685 N GLU A 45 3.203 -11.255 3.580 1.00 0.53 N ATOM 686 CA GLU A 45 4.422 -10.840 2.845 1.00 0.46 C ATOM 687 C GLU A 45 4.383 -9.316 2.733 1.00 0.41 C ATOM 688 O GLU A 45 5.386 -8.653 2.573 1.00 0.47 O ATOM 689 CB GLU A 45 4.297 -11.498 1.471 1.00 0.48 C ATOM 690 CG GLU A 45 4.130 -13.009 1.640 1.00 0.61 C ATOM 691 CD GLU A 45 2.667 -13.394 1.404 1.00 1.12 C ATOM 692 OE1 GLU A 45 1.825 -12.514 1.464 1.00 1.83 O ATOM 693 OE2 GLU A 45 2.415 -14.564 1.165 1.00 1.90 O ATOM 0 H GLU A 45 2.350 -11.285 3.022 1.00 0.53 H new ATOM 0 HA GLU A 45 5.357 -11.128 3.325 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.442 -11.085 0.935 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.182 -11.284 0.872 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.774 -13.537 0.936 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.439 -13.309 2.641 1.00 0.61 H new ATOM 700 N TYR A 46 3.201 -8.774 2.836 1.00 0.43 N ATOM 701 CA TYR A 46 3.004 -7.314 2.763 1.00 0.48 C ATOM 702 C TYR A 46 3.444 -6.658 4.074 1.00 0.52 C ATOM 703 O TYR A 46 4.086 -5.627 4.082 1.00 0.69 O ATOM 704 CB TYR A 46 1.495 -7.189 2.579 1.00 0.64 C ATOM 705 CG TYR A 46 1.174 -5.856 1.996 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.265 -4.725 2.797 1.00 1.03 C ATOM 707 CD2 TYR A 46 0.788 -5.758 0.664 1.00 1.02 C ATOM 708 CE1 TYR A 46 0.966 -3.467 2.261 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.486 -4.505 0.117 1.00 1.38 C ATOM 710 CZ TYR A 46 0.568 -3.369 0.892 1.00 1.50 C ATOM 711 OH TYR A 46 0.280 -2.118 0.384 1.00 1.95 O ATOM 0 H TYR A 46 2.342 -9.307 2.972 1.00 0.43 H new ATOM 0 HA TYR A 46 3.577 -6.831 1.971 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.131 -7.981 1.925 1.00 0.64 H new ATOM 0 HB3 TYR A 46 0.990 -7.310 3.537 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.566 -4.816 3.830 1.00 1.03 H new ATOM 0 HD2 TYR A 46 0.721 -6.646 0.053 1.00 1.02 H new ATOM 0 HE1 TYR A 46 1.035 -2.581 2.875 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.187 -4.429 -0.918 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.335 -1.653 0.989 1.00 1.95 H new ATOM 721 N ALA A 47 3.096 -7.251 5.184 1.00 0.53 N ATOM 722 CA ALA A 47 3.484 -6.666 6.498 1.00 0.62 C ATOM 723 C ALA A 47 4.986 -6.841 6.740 1.00 0.58 C ATOM 724 O ALA A 47 5.576 -6.156 7.552 1.00 0.68 O ATOM 725 CB ALA A 47 2.678 -7.452 7.533 1.00 0.73 C ATOM 0 H ALA A 47 2.559 -8.117 5.237 1.00 0.53 H new ATOM 0 HA ALA A 47 3.281 -5.596 6.547 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.908 -7.080 8.532 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.613 -7.328 7.336 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.938 -8.509 7.470 1.00 0.73 H new ATOM 731 N LYS A 48 5.610 -7.754 6.047 1.00 0.51 N ATOM 732 CA LYS A 48 7.070 -7.968 6.243 1.00 0.55 C ATOM 733 C LYS A 48 7.871 -6.922 5.464 1.00 0.53 C ATOM 734 O LYS A 48 8.956 -6.540 5.855 1.00 0.65 O ATOM 735 CB LYS A 48 7.330 -9.366 5.687 1.00 0.60 C ATOM 736 CG LYS A 48 7.886 -10.263 6.793 1.00 1.03 C ATOM 737 CD LYS A 48 7.344 -11.679 6.610 1.00 1.41 C ATOM 738 CE LYS A 48 7.139 -12.330 7.980 1.00 1.92 C ATOM 739 NZ LYS A 48 8.440 -12.986 8.289 1.00 2.47 N ATOM 0 H LYS A 48 5.171 -8.360 5.354 1.00 0.51 H new ATOM 0 HA LYS A 48 7.368 -7.876 7.287 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.406 -9.789 5.292 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.036 -9.313 4.858 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.975 -10.270 6.759 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.600 -9.875 7.771 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.401 -11.651 6.065 1.00 1.41 H new ATOM 0 HD3 LYS A 48 8.039 -12.271 6.015 1.00 1.41 H new ATOM 0 HE2 LYS A 48 6.881 -11.588 8.736 1.00 1.92 H new ATOM 0 HE3 LYS A 48 6.326 -13.056 7.955 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 8.381 -13.456 9.215 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 8.656 -13.691 7.556 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 9.193 -12.269 8.312 1.00 2.47 H new ATOM 753 N ALA A 49 7.346 -6.460 4.362 1.00 0.47 N ATOM 754 CA ALA A 49 8.082 -5.444 3.555 1.00 0.50 C ATOM 755 C ALA A 49 8.206 -4.131 4.336 1.00 0.53 C ATOM 756 O ALA A 49 9.097 -3.339 4.099 1.00 0.65 O ATOM 757 CB ALA A 49 7.233 -5.243 2.301 1.00 0.55 C ATOM 0 H ALA A 49 6.441 -6.741 3.986 1.00 0.47 H new ATOM 0 HA ALA A 49 9.095 -5.765 3.315 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.709 -4.507 1.653 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.141 -6.189 1.768 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.242 -4.889 2.585 1.00 0.55 H new ATOM 763 N ALA A 50 7.320 -3.894 5.264 1.00 0.54 N ATOM 764 CA ALA A 50 7.387 -2.631 6.056 1.00 0.65 C ATOM 765 C ALA A 50 8.515 -2.708 7.089 1.00 0.65 C ATOM 766 O ALA A 50 9.015 -1.703 7.553 1.00 0.77 O ATOM 767 CB ALA A 50 6.030 -2.529 6.751 1.00 0.76 C ATOM 0 H ALA A 50 6.552 -4.519 5.509 1.00 0.54 H new ATOM 0 HA ALA A 50 7.592 -1.763 5.430 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.998 -1.623 7.356 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.239 -2.493 6.002 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.883 -3.398 7.392 1.00 0.76 H new ATOM 773 N GLY A 51 8.916 -3.895 7.456 1.00 0.59 N ATOM 774 CA GLY A 51 10.008 -4.034 8.464 1.00 0.69 C ATOM 775 C GLY A 51 11.364 -4.069 7.758 1.00 0.78 C ATOM 776 O GLY A 51 12.374 -3.695 8.320 1.00 0.90 O ATOM 0 H GLY A 51 8.536 -4.773 7.103 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.975 -3.201 9.166 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.866 -4.946 9.044 1.00 0.69 H new ATOM 780 N LYS A 52 11.400 -4.515 6.533 1.00 0.80 N ATOM 781 CA LYS A 52 12.699 -4.573 5.800 1.00 1.01 C ATOM 782 C LYS A 52 13.322 -3.176 5.710 1.00 1.12 C ATOM 783 O LYS A 52 14.522 -3.014 5.808 1.00 1.31 O ATOM 784 CB LYS A 52 12.348 -5.094 4.408 1.00 1.15 C ATOM 785 CG LYS A 52 12.628 -6.596 4.339 1.00 1.49 C ATOM 786 CD LYS A 52 13.951 -6.834 3.608 1.00 1.97 C ATOM 787 CE LYS A 52 14.631 -8.082 4.176 1.00 2.64 C ATOM 788 NZ LYS A 52 14.377 -9.150 3.170 1.00 3.08 N ATOM 0 H LYS A 52 10.589 -4.841 6.007 1.00 0.80 H new ATOM 0 HA LYS A 52 13.426 -5.212 6.302 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.298 -4.899 4.189 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.934 -4.569 3.653 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.675 -7.015 5.344 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.816 -7.105 3.819 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.771 -6.959 2.540 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.603 -5.968 3.722 1.00 1.97 H new ATOM 0 HE2 LYS A 52 15.699 -7.919 4.318 1.00 2.64 H new ATOM 0 HE3 LYS A 52 14.217 -8.349 5.148 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 14.813 -10.038 3.489 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 13.352 -9.287 3.061 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 14.788 -8.871 2.256 1.00 3.08 H new ATOM 802 N LEU A 53 12.516 -2.166 5.524 1.00 1.12 N ATOM 803 CA LEU A 53 13.066 -0.782 5.428 1.00 1.33 C ATOM 804 C LEU A 53 13.494 -0.286 6.812 1.00 1.30 C ATOM 805 O LEU A 53 14.304 0.610 6.937 1.00 1.50 O ATOM 806 CB LEU A 53 11.914 0.067 4.888 1.00 1.55 C ATOM 807 CG LEU A 53 10.748 0.039 5.879 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.677 1.376 6.620 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.440 -0.197 5.123 1.00 1.82 C ATOM 0 H LEU A 53 11.503 -2.238 5.434 1.00 1.12 H new ATOM 0 HA LEU A 53 13.945 -0.731 4.786 1.00 1.33 H new ATOM 0 HB2 LEU A 53 12.247 1.093 4.732 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.591 -0.314 3.919 1.00 1.55 H new ATOM 0 HG LEU A 53 10.901 -0.767 6.597 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.847 1.357 7.326 1.00 2.07 H new ATOM 0 HD12 LEU A 53 11.609 1.543 7.160 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.525 2.182 5.902 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.610 -0.217 5.829 1.00 1.82 H new ATOM 0 HD22 LEU A 53 9.285 0.607 4.404 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.491 -1.150 4.596 1.00 1.82 H new ATOM 821 N LYS A 54 12.953 -0.860 7.850 1.00 1.20 N ATOM 822 CA LYS A 54 13.327 -0.420 9.225 1.00 1.35 C ATOM 823 C LYS A 54 14.841 -0.528 9.423 1.00 1.40 C ATOM 824 O LYS A 54 15.474 0.364 9.950 1.00 1.67 O ATOM 825 CB LYS A 54 12.597 -1.386 10.159 1.00 1.46 C ATOM 826 CG LYS A 54 11.868 -0.596 11.247 1.00 1.91 C ATOM 827 CD LYS A 54 12.879 -0.103 12.285 1.00 2.50 C ATOM 828 CE LYS A 54 12.537 -0.691 13.657 1.00 2.87 C ATOM 829 NZ LYS A 54 13.752 -1.452 14.062 1.00 3.88 N ATOM 0 H LYS A 54 12.268 -1.615 7.807 1.00 1.20 H new ATOM 0 HA LYS A 54 13.055 0.618 9.414 1.00 1.35 H new ATOM 0 HB2 LYS A 54 11.885 -1.987 9.593 1.00 1.46 H new ATOM 0 HB3 LYS A 54 13.308 -2.077 10.612 1.00 1.46 H new ATOM 0 HG2 LYS A 54 11.342 0.251 10.806 1.00 1.91 H new ATOM 0 HG3 LYS A 54 11.117 -1.224 11.726 1.00 1.91 H new ATOM 0 HD2 LYS A 54 13.887 -0.397 11.993 1.00 2.50 H new ATOM 0 HD3 LYS A 54 12.866 0.986 12.332 1.00 2.50 H new ATOM 0 HE2 LYS A 54 12.305 0.094 14.376 1.00 2.87 H new ATOM 0 HE3 LYS A 54 11.664 -1.341 13.602 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 13.595 -1.885 14.994 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 13.945 -2.197 13.362 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 14.565 -0.806 14.113 1.00 3.88 H new ATOM 843 N ALA A 55 15.423 -1.617 9.007 1.00 1.63 N ATOM 844 CA ALA A 55 16.895 -1.789 9.174 1.00 2.20 C ATOM 845 C ALA A 55 17.653 -0.665 8.461 1.00 2.03 C ATOM 846 O ALA A 55 18.796 -0.387 8.765 1.00 2.38 O ATOM 847 CB ALA A 55 17.209 -3.140 8.532 1.00 2.78 C ATOM 0 H ALA A 55 14.944 -2.397 8.558 1.00 1.63 H new ATOM 0 HA ALA A 55 17.196 -1.752 10.221 1.00 2.20 H new ATOM 0 HB1 ALA A 55 18.277 -3.342 8.613 1.00 2.78 H new ATOM 0 HB2 ALA A 55 16.651 -3.924 9.044 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.923 -3.118 7.480 1.00 2.78 H new ATOM 853 N GLU A 56 17.032 -0.018 7.511 1.00 1.67 N ATOM 854 CA GLU A 56 17.731 1.083 6.786 1.00 1.70 C ATOM 855 C GLU A 56 17.087 2.437 7.107 1.00 1.53 C ATOM 856 O GLU A 56 17.667 3.479 6.871 1.00 1.98 O ATOM 857 CB GLU A 56 17.577 0.750 5.300 1.00 1.99 C ATOM 858 CG GLU A 56 16.093 0.683 4.933 1.00 2.69 C ATOM 859 CD GLU A 56 15.949 0.579 3.413 1.00 3.21 C ATOM 860 OE1 GLU A 56 15.967 -0.532 2.910 1.00 3.64 O ATOM 861 OE2 GLU A 56 15.824 1.613 2.778 1.00 3.63 O ATOM 0 H GLU A 56 16.076 -0.203 7.207 1.00 1.67 H new ATOM 0 HA GLU A 56 18.778 1.160 7.078 1.00 1.70 H new ATOM 0 HB2 GLU A 56 18.076 1.507 4.695 1.00 1.99 H new ATOM 0 HB3 GLU A 56 18.058 -0.203 5.080 1.00 1.99 H new ATOM 0 HG2 GLU A 56 15.627 -0.177 5.413 1.00 2.69 H new ATOM 0 HG3 GLU A 56 15.576 1.571 5.298 1.00 2.69 H new ATOM 868 N GLY A 57 15.899 2.434 7.647 1.00 1.58 N ATOM 869 CA GLY A 57 15.231 3.723 7.984 1.00 2.25 C ATOM 870 C GLY A 57 14.741 4.399 6.701 1.00 1.97 C ATOM 871 O GLY A 57 14.843 5.600 6.544 1.00 2.50 O ATOM 0 H GLY A 57 15.362 1.595 7.869 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.392 3.544 8.656 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.926 4.378 8.509 1.00 2.25 H new ATOM 875 N SER A 58 14.207 3.640 5.784 1.00 1.30 N ATOM 876 CA SER A 58 13.709 4.244 4.514 1.00 1.23 C ATOM 877 C SER A 58 12.551 5.205 4.807 1.00 1.03 C ATOM 878 O SER A 58 12.005 5.220 5.893 1.00 1.27 O ATOM 879 CB SER A 58 13.226 3.061 3.676 1.00 1.53 C ATOM 880 OG SER A 58 13.484 3.315 2.302 1.00 2.13 O ATOM 0 H SER A 58 14.094 2.629 5.858 1.00 1.30 H new ATOM 0 HA SER A 58 14.478 4.820 3.999 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.734 2.149 3.989 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.159 2.902 3.833 1.00 1.53 H new ATOM 0 HG SER A 58 14.306 2.854 2.033 1.00 2.13 H new ATOM 886 N GLU A 59 12.172 6.006 3.848 1.00 0.85 N ATOM 887 CA GLU A 59 11.051 6.962 4.076 1.00 0.87 C ATOM 888 C GLU A 59 9.782 6.469 3.372 1.00 0.76 C ATOM 889 O GLU A 59 9.025 7.244 2.821 1.00 1.06 O ATOM 890 CB GLU A 59 11.525 8.282 3.466 1.00 1.10 C ATOM 891 CG GLU A 59 11.813 8.083 1.975 1.00 1.05 C ATOM 892 CD GLU A 59 10.507 7.774 1.242 1.00 1.58 C ATOM 893 OE1 GLU A 59 9.762 6.939 1.726 1.00 2.22 O ATOM 894 OE2 GLU A 59 10.275 8.377 0.207 1.00 2.13 O ATOM 0 H GLU A 59 12.590 6.040 2.918 1.00 0.85 H new ATOM 0 HA GLU A 59 10.806 7.066 5.133 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.764 9.051 3.601 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.423 8.629 3.977 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.273 8.980 1.559 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.523 7.267 1.836 1.00 1.05 H new ATOM 901 N ILE A 60 9.546 5.186 3.389 1.00 0.59 N ATOM 902 CA ILE A 60 8.326 4.641 2.723 1.00 0.57 C ATOM 903 C ILE A 60 7.384 4.032 3.768 1.00 0.52 C ATOM 904 O ILE A 60 7.815 3.531 4.787 1.00 0.63 O ATOM 905 CB ILE A 60 8.842 3.569 1.756 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.467 2.412 2.551 1.00 1.46 C ATOM 907 CG2 ILE A 60 9.895 4.186 0.830 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.076 1.391 1.589 1.00 1.60 C ATOM 0 H ILE A 60 10.144 4.490 3.835 1.00 0.59 H new ATOM 0 HA ILE A 60 7.758 5.411 2.200 1.00 0.57 H new ATOM 0 HB ILE A 60 8.013 3.187 1.161 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.235 2.794 3.224 1.00 1.46 H new ATOM 0 HG13 ILE A 60 8.709 1.934 3.171 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.264 3.426 0.141 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.448 5.003 0.264 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.724 4.569 1.426 1.00 1.34 H new ATOM 0 HD11 ILE A 60 10.518 0.573 2.158 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.298 0.999 0.934 1.00 1.60 H new ATOM 0 HD13 ILE A 60 10.847 1.872 0.988 1.00 1.60 H new ATOM 920 N ARG A 61 6.101 4.075 3.528 1.00 0.45 N ATOM 921 CA ARG A 61 5.141 3.504 4.516 1.00 0.45 C ATOM 922 C ARG A 61 4.186 2.519 3.836 1.00 0.41 C ATOM 923 O ARG A 61 3.900 2.625 2.659 1.00 0.55 O ATOM 924 CB ARG A 61 4.369 4.708 5.055 1.00 0.51 C ATOM 925 CG ARG A 61 4.943 5.119 6.412 1.00 0.75 C ATOM 926 CD ARG A 61 3.805 5.569 7.331 1.00 0.97 C ATOM 927 NE ARG A 61 4.029 4.837 8.608 1.00 1.30 N ATOM 928 CZ ARG A 61 3.701 3.578 8.704 1.00 1.66 C ATOM 929 NH1 ARG A 61 2.476 3.242 9.002 1.00 2.21 N ATOM 930 NH2 ARG A 61 4.601 2.653 8.503 1.00 2.19 N ATOM 0 H ARG A 61 5.677 4.480 2.693 1.00 0.45 H new ATOM 0 HA ARG A 61 5.649 2.951 5.306 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.436 5.540 4.353 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.312 4.460 5.156 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.478 4.282 6.861 1.00 0.75 H new ATOM 0 HG3 ARG A 61 5.663 5.927 6.285 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.826 6.648 7.486 1.00 0.97 H new ATOM 0 HD3 ARG A 61 2.832 5.327 6.903 1.00 0.97 H new ATOM 0 HE ARG A 61 4.439 5.320 9.408 1.00 1.30 H new ATOM 0 HH11 ARG A 61 1.773 3.964 9.160 1.00 2.21 H new ATOM 0 HH12 ARG A 61 2.221 2.257 9.077 1.00 2.21 H new ATOM 0 HH21 ARG A 61 5.559 2.915 8.271 1.00 2.19 H new ATOM 0 HH22 ARG A 61 4.346 1.668 8.578 1.00 2.19 H new ATOM 944 N LEU A 62 3.685 1.565 4.574 1.00 0.35 N ATOM 945 CA LEU A 62 2.743 0.573 3.981 1.00 0.36 C ATOM 946 C LEU A 62 1.332 0.800 4.532 1.00 0.32 C ATOM 947 O LEU A 62 1.161 1.262 5.642 1.00 0.38 O ATOM 948 CB LEU A 62 3.276 -0.791 4.417 1.00 0.48 C ATOM 949 CG LEU A 62 4.209 -1.346 3.338 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.659 -1.030 3.708 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.028 -2.862 3.239 1.00 1.22 C ATOM 0 H LEU A 62 3.888 1.430 5.564 1.00 0.35 H new ATOM 0 HA LEU A 62 2.681 0.655 2.896 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.811 -0.699 5.362 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.448 -1.480 4.585 1.00 0.48 H new ATOM 0 HG LEU A 62 3.970 -0.887 2.379 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.325 -1.425 2.940 1.00 1.59 H new ATOM 0 HD12 LEU A 62 5.789 0.050 3.781 1.00 1.59 H new ATOM 0 HD13 LEU A 62 5.898 -1.490 4.667 1.00 1.59 H new ATOM 0 HD21 LEU A 62 4.692 -3.258 2.471 1.00 1.22 H new ATOM 0 HD22 LEU A 62 4.268 -3.321 4.198 1.00 1.22 H new ATOM 0 HD23 LEU A 62 2.994 -3.089 2.977 1.00 1.22 H new ATOM 963 N ALA A 63 0.318 0.485 3.770 1.00 0.30 N ATOM 964 CA ALA A 63 -1.071 0.699 4.276 1.00 0.32 C ATOM 965 C ALA A 63 -2.056 -0.266 3.604 1.00 0.31 C ATOM 966 O ALA A 63 -1.740 -0.917 2.625 1.00 0.37 O ATOM 967 CB ALA A 63 -1.408 2.144 3.912 1.00 0.37 C ATOM 0 H ALA A 63 0.388 0.094 2.831 1.00 0.30 H new ATOM 0 HA ALA A 63 -1.142 0.516 5.348 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.417 2.379 4.252 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.697 2.816 4.393 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.351 2.270 2.831 1.00 0.37 H new ATOM 973 N LYS A 64 -3.252 -0.359 4.124 1.00 0.30 N ATOM 974 CA LYS A 64 -4.261 -1.279 3.524 1.00 0.32 C ATOM 975 C LYS A 64 -5.669 -0.689 3.667 1.00 0.32 C ATOM 976 O LYS A 64 -5.907 0.185 4.477 1.00 0.40 O ATOM 977 CB LYS A 64 -4.133 -2.575 4.328 1.00 0.38 C ATOM 978 CG LYS A 64 -4.504 -2.311 5.789 1.00 1.39 C ATOM 979 CD LYS A 64 -4.267 -3.578 6.614 1.00 1.60 C ATOM 980 CE LYS A 64 -3.285 -3.273 7.746 1.00 2.04 C ATOM 981 NZ LYS A 64 -2.714 -4.597 8.122 1.00 2.26 N ATOM 0 H LYS A 64 -3.573 0.163 4.939 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.096 -1.441 2.459 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.786 -3.341 3.909 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -3.114 -2.955 4.264 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.906 -1.490 6.184 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -5.549 -2.008 5.861 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -5.210 -3.940 7.024 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -3.871 -4.370 5.978 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -2.506 -2.585 7.419 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -3.789 -2.805 8.592 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -2.029 -4.473 8.895 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.479 -5.229 8.435 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -2.235 -5.015 7.299 1.00 2.26 H new ATOM 995 N VAL A 65 -6.603 -1.157 2.883 1.00 0.30 N ATOM 996 CA VAL A 65 -7.992 -0.616 2.974 1.00 0.32 C ATOM 997 C VAL A 65 -9.020 -1.751 2.967 1.00 0.31 C ATOM 998 O VAL A 65 -8.821 -2.781 2.357 1.00 0.36 O ATOM 999 CB VAL A 65 -8.161 0.253 1.725 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.615 0.737 1.618 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.224 1.456 1.814 1.00 0.70 C ATOM 0 H VAL A 65 -6.466 -1.888 2.185 1.00 0.30 H new ATOM 0 HA VAL A 65 -8.147 -0.056 3.896 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.916 -0.335 0.841 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.728 1.355 0.727 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.281 -0.123 1.550 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.869 1.324 2.501 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.343 2.076 0.926 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.467 2.042 2.701 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.193 1.110 1.880 1.00 0.70 H new ATOM 1011 N ASP A 66 -10.132 -1.552 3.620 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.186 -2.603 3.629 1.00 0.39 C ATOM 1013 C ASP A 66 -12.254 -2.250 2.592 1.00 0.40 C ATOM 1014 O ASP A 66 -13.163 -1.492 2.858 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.773 -2.573 5.041 1.00 0.47 C ATOM 1016 CG ASP A 66 -11.346 -3.833 5.797 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -11.922 -4.878 5.541 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -10.450 -3.731 6.620 1.00 1.38 O ATOM 0 H ASP A 66 -10.355 -0.708 4.147 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.800 -3.592 3.382 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.430 -1.684 5.570 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.860 -2.515 4.993 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.140 -2.784 1.406 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.136 -2.476 0.336 1.00 0.46 C ATOM 1025 C ALA A 67 -14.571 -2.584 0.866 1.00 0.51 C ATOM 1026 O ALA A 67 -15.480 -1.962 0.351 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.887 -3.528 -0.744 1.00 0.51 C ATOM 0 H ALA A 67 -11.396 -3.424 1.129 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.024 -1.458 -0.038 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.581 -3.372 -1.570 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.863 -3.440 -1.108 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -13.039 -4.523 -0.325 1.00 0.51 H new ATOM 1033 N THR A 68 -14.785 -3.364 1.890 1.00 0.53 N ATOM 1034 CA THR A 68 -16.164 -3.501 2.444 1.00 0.62 C ATOM 1035 C THR A 68 -16.506 -2.293 3.325 1.00 0.64 C ATOM 1036 O THR A 68 -17.656 -2.045 3.632 1.00 0.86 O ATOM 1037 CB THR A 68 -16.133 -4.780 3.279 1.00 0.66 C ATOM 1038 OG1 THR A 68 -15.063 -4.710 4.211 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.934 -5.987 2.360 1.00 1.35 C ATOM 0 H THR A 68 -14.068 -3.911 2.366 1.00 0.53 H new ATOM 0 HA THR A 68 -16.919 -3.545 1.659 1.00 0.62 H new ATOM 0 HB THR A 68 -17.076 -4.887 3.816 1.00 0.66 H new ATOM 0 HG1 THR A 68 -15.222 -5.345 4.940 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.912 -6.899 2.957 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.756 -6.040 1.646 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.992 -5.883 1.822 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.521 -1.541 3.735 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.793 -0.356 4.592 1.00 0.61 C ATOM 1049 C GLU A 69 -15.374 0.923 3.866 1.00 0.57 C ATOM 1050 O GLU A 69 -15.902 1.990 4.111 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.934 -0.571 5.838 1.00 0.63 C ATOM 1052 CG GLU A 69 -15.602 0.097 7.042 1.00 0.83 C ATOM 1053 CD GLU A 69 -15.733 1.600 6.784 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -16.389 1.962 5.821 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -15.174 2.364 7.555 1.00 2.10 O ATOM 0 H GLU A 69 -14.538 -1.698 3.512 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.850 -0.251 4.837 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.807 -1.637 6.025 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.939 -0.153 5.683 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -16.585 -0.340 7.215 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.013 -0.078 7.942 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.421 0.828 2.978 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.962 2.042 2.245 1.00 0.57 C ATOM 1064 C GLU A 70 -14.207 1.878 0.745 1.00 0.72 C ATOM 1065 O GLU A 70 -13.426 2.320 -0.073 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.462 2.142 2.531 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.215 2.032 4.039 1.00 1.05 C ATOM 1068 CD GLU A 70 -10.714 2.092 4.316 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -10.025 2.794 3.595 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.277 1.432 5.244 1.00 1.89 O ATOM 0 H GLU A 70 -13.941 -0.037 2.729 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.497 2.937 2.561 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.928 1.349 2.007 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.073 3.089 2.157 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.724 2.842 4.562 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -12.628 1.098 4.419 1.00 1.05 H new ATOM 1077 N SER A 71 -15.290 1.250 0.376 1.00 0.55 N ATOM 1078 CA SER A 71 -15.586 1.061 -1.075 1.00 0.66 C ATOM 1079 C SER A 71 -15.478 2.397 -1.815 1.00 0.70 C ATOM 1080 O SER A 71 -15.236 2.441 -3.005 1.00 0.94 O ATOM 1081 CB SER A 71 -17.021 0.536 -1.121 1.00 0.79 C ATOM 1082 OG SER A 71 -17.128 -0.448 -2.141 1.00 1.48 O ATOM 0 H SER A 71 -15.983 0.860 1.015 1.00 0.55 H new ATOM 0 HA SER A 71 -14.886 0.376 -1.554 1.00 0.66 H new ATOM 0 HB2 SER A 71 -17.295 0.108 -0.157 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.714 1.355 -1.315 1.00 0.79 H new ATOM 0 HG SER A 71 -18.047 -0.788 -2.172 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.651 3.487 -1.117 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.552 4.818 -1.779 1.00 0.71 C ATOM 1090 C ASP A 72 -14.164 4.998 -2.394 1.00 0.68 C ATOM 1091 O ASP A 72 -14.011 5.593 -3.442 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.782 5.836 -0.662 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.279 6.131 -0.541 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.891 6.410 -1.559 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -17.786 6.075 0.567 1.00 1.57 O ATOM 0 H ASP A 72 -15.856 3.513 -0.118 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.275 4.933 -2.587 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.399 5.449 0.282 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.235 6.755 -0.874 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.149 4.485 -1.754 1.00 0.63 N ATOM 1101 CA LEU A 73 -11.772 4.625 -2.311 1.00 0.68 C ATOM 1102 C LEU A 73 -11.589 3.661 -3.483 1.00 0.60 C ATOM 1103 O LEU A 73 -10.970 3.983 -4.477 1.00 0.64 O ATOM 1104 CB LEU A 73 -10.819 4.258 -1.165 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.174 5.047 0.103 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -10.103 4.799 1.168 1.00 0.97 C ATOM 1107 CD2 LEU A 73 -11.229 6.544 -0.208 1.00 1.22 C ATOM 0 H LEU A 73 -13.212 3.976 -0.872 1.00 0.63 H new ATOM 0 HA LEU A 73 -11.581 5.633 -2.680 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.878 3.188 -0.963 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -9.791 4.471 -1.457 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.148 4.718 0.466 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -10.351 5.358 2.071 1.00 0.97 H new ATOM 0 HD12 LEU A 73 -10.060 3.735 1.400 1.00 0.97 H new ATOM 0 HD13 LEU A 73 -9.134 5.128 0.793 1.00 0.97 H new ATOM 0 HD21 LEU A 73 -11.482 7.095 0.698 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -10.258 6.875 -0.575 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -11.987 6.730 -0.969 1.00 1.22 H new ATOM 1119 N ALA A 74 -12.129 2.481 -3.370 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.995 1.489 -4.473 1.00 0.56 C ATOM 1121 C ALA A 74 -12.870 1.903 -5.658 1.00 0.59 C ATOM 1122 O ALA A 74 -12.562 1.623 -6.799 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.485 0.169 -3.876 1.00 0.60 C ATOM 0 H ALA A 74 -12.659 2.159 -2.560 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.973 1.413 -4.844 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.418 -0.617 -4.628 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.865 -0.095 -3.019 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.521 0.277 -3.555 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.960 2.569 -5.394 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.855 3.002 -6.504 1.00 0.76 C ATOM 1131 C GLN A 75 -14.248 4.202 -7.234 1.00 0.78 C ATOM 1132 O GLN A 75 -14.458 4.391 -8.416 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.166 3.396 -5.823 1.00 0.87 C ATOM 1134 CG GLN A 75 -16.896 2.136 -5.352 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.277 2.072 -6.007 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.486 2.625 -7.067 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.236 1.414 -5.414 1.00 2.40 N ATOM 0 H GLN A 75 -14.270 2.832 -4.458 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.001 2.219 -7.248 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -15.965 4.051 -4.975 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.794 3.955 -6.516 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -16.317 1.249 -5.611 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.997 2.145 -4.267 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -19.060 0.949 -4.523 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.161 1.365 -5.842 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.497 5.013 -6.542 1.00 0.76 N ATOM 1147 CA GLN A 76 -12.879 6.198 -7.202 1.00 0.84 C ATOM 1148 C GLN A 76 -11.676 5.767 -8.043 1.00 0.83 C ATOM 1149 O GLN A 76 -11.332 6.398 -9.023 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.437 7.107 -6.055 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.513 8.165 -5.801 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.460 9.220 -6.907 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.558 8.898 -8.075 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -13.307 10.476 -6.588 1.00 1.97 N ATOM 0 H GLN A 76 -13.284 4.907 -5.550 1.00 0.76 H new ATOM 0 HA GLN A 76 -13.571 6.703 -7.876 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.271 6.518 -5.153 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.490 7.587 -6.301 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -14.498 7.699 -5.775 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -13.356 8.633 -4.829 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -13.225 10.747 -5.608 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -13.270 11.187 -7.319 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.034 4.695 -7.668 1.00 0.74 N ATOM 1164 CA TYR A 77 -9.855 4.223 -8.445 1.00 0.81 C ATOM 1165 C TYR A 77 -10.236 3.035 -9.339 1.00 0.83 C ATOM 1166 O TYR A 77 -9.490 2.644 -10.214 1.00 1.00 O ATOM 1167 CB TYR A 77 -8.837 3.797 -7.389 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.127 5.018 -6.856 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -7.250 5.731 -7.680 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.345 5.436 -5.538 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -6.590 6.864 -7.187 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -7.687 6.567 -5.044 1.00 1.19 C ATOM 1173 CZ TYR A 77 -6.813 7.285 -5.871 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.159 8.396 -5.382 1.00 1.22 O ATOM 0 H TYR A 77 -11.275 4.126 -6.857 1.00 0.74 H new ATOM 0 HA TYR A 77 -9.463 4.995 -9.107 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.338 3.270 -6.577 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.116 3.103 -7.822 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -7.082 5.408 -8.697 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -9.022 4.885 -4.902 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -5.910 7.412 -7.822 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -7.852 6.887 -4.026 1.00 1.19 H new ATOM 0 HH TYR A 77 -6.302 8.460 -4.415 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.389 2.456 -9.128 1.00 0.78 N ATOM 1185 CA GLY A 78 -11.803 1.298 -9.969 1.00 0.87 C ATOM 1186 C GLY A 78 -10.826 0.141 -9.759 1.00 0.88 C ATOM 1187 O GLY A 78 -9.987 -0.137 -10.593 1.00 1.52 O ATOM 0 H GLY A 78 -12.059 2.735 -8.411 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -12.814 0.987 -9.706 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -11.822 1.586 -11.020 1.00 0.87 H new ATOM 1191 N VAL A 79 -10.926 -0.537 -8.647 1.00 0.80 N ATOM 1192 CA VAL A 79 -10.001 -1.676 -8.384 1.00 0.79 C ATOM 1193 C VAL A 79 -10.183 -2.764 -9.444 1.00 1.13 C ATOM 1194 O VAL A 79 -11.081 -2.704 -10.261 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.399 -2.201 -7.005 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.233 -1.088 -5.969 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -11.860 -2.656 -7.035 1.00 1.30 C ATOM 0 H VAL A 79 -11.607 -0.351 -7.911 1.00 0.80 H new ATOM 0 HA VAL A 79 -8.955 -1.372 -8.419 1.00 0.79 H new ATOM 0 HB VAL A 79 -9.761 -3.044 -6.739 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.517 -1.462 -4.985 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -9.193 -0.763 -5.948 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -10.871 -0.245 -6.235 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -12.145 -3.031 -6.052 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -12.498 -1.813 -7.301 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -11.979 -3.449 -7.774 1.00 1.30 H new ATOM 1207 N ARG A 80 -9.338 -3.756 -9.437 1.00 1.27 N ATOM 1208 CA ARG A 80 -9.463 -4.847 -10.445 1.00 1.72 C ATOM 1209 C ARG A 80 -9.487 -6.212 -9.750 1.00 1.38 C ATOM 1210 O ARG A 80 -8.838 -7.146 -10.176 1.00 1.87 O ATOM 1211 CB ARG A 80 -8.220 -4.714 -11.326 1.00 2.38 C ATOM 1212 CG ARG A 80 -8.426 -3.577 -12.328 1.00 2.85 C ATOM 1213 CD ARG A 80 -7.246 -3.536 -13.303 1.00 3.49 C ATOM 1214 NE ARG A 80 -6.309 -2.530 -12.730 1.00 4.06 N ATOM 1215 CZ ARG A 80 -5.709 -1.676 -13.514 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -6.310 -0.569 -13.856 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -4.506 -1.929 -13.954 1.00 5.25 N ATOM 0 H ARG A 80 -8.566 -3.859 -8.778 1.00 1.27 H new ATOM 0 HA ARG A 80 -10.384 -4.772 -11.024 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -7.343 -4.516 -10.709 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -8.033 -5.649 -11.854 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -9.358 -3.724 -12.874 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -8.511 -2.626 -11.803 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -6.771 -4.513 -13.390 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -7.570 -3.249 -14.303 1.00 3.49 H new ATOM 0 HE ARG A 80 -6.136 -2.508 -11.725 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -7.249 -0.371 -13.511 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -5.841 0.098 -14.469 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -4.036 -2.793 -13.685 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -4.036 -1.262 -14.567 1.00 5.25 H new ATOM 1231 N GLY A 81 -10.232 -6.333 -8.685 1.00 0.87 N ATOM 1232 CA GLY A 81 -10.298 -7.638 -7.968 1.00 0.81 C ATOM 1233 C GLY A 81 -9.220 -7.681 -6.883 1.00 0.74 C ATOM 1234 O GLY A 81 -8.044 -7.553 -7.157 1.00 1.17 O ATOM 0 H GLY A 81 -10.797 -5.586 -8.281 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.284 -7.770 -7.521 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.154 -8.459 -8.671 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.612 -7.862 -5.651 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.607 -7.914 -4.548 1.00 0.52 C ATOM 1240 C TYR A 82 -7.838 -9.248 -4.601 1.00 0.54 C ATOM 1241 O TYR A 82 -8.330 -10.207 -5.160 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.421 -7.813 -3.249 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.365 -6.628 -3.308 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -9.973 -5.440 -3.941 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.637 -6.722 -2.729 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -10.851 -4.351 -3.996 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.515 -5.632 -2.783 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.122 -4.447 -3.418 1.00 0.75 C ATOM 1249 OH TYR A 82 -12.988 -3.374 -3.474 1.00 0.85 O ATOM 0 H TYR A 82 -10.583 -7.976 -5.360 1.00 0.61 H new ATOM 0 HA TYR A 82 -7.871 -7.114 -4.624 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.988 -8.731 -3.096 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.748 -7.708 -2.398 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -8.992 -5.365 -4.387 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -11.941 -7.636 -2.240 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -10.548 -3.437 -4.484 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.495 -5.705 -2.335 1.00 1.04 H new ATOM 0 HH TYR A 82 -13.861 -3.675 -3.803 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.649 -9.279 -4.025 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.058 -8.093 -3.342 1.00 0.51 C ATOM 1261 C PRO A 83 -5.500 -7.103 -4.371 1.00 0.51 C ATOM 1262 O PRO A 83 -4.850 -7.485 -5.324 1.00 0.63 O ATOM 1263 CB PRO A 83 -4.929 -8.684 -2.507 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.546 -9.951 -3.205 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.757 -10.443 -3.960 1.00 0.64 C ATOM 0 HA PRO A 83 -6.785 -7.541 -2.746 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.084 -7.998 -2.445 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.256 -8.880 -1.486 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.715 -9.775 -3.888 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.214 -10.699 -2.485 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.488 -10.793 -4.957 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.232 -11.279 -3.446 1.00 0.64 H new ATOM 1273 N THR A 84 -5.741 -5.834 -4.181 1.00 0.45 N ATOM 1274 CA THR A 84 -5.215 -4.823 -5.143 1.00 0.45 C ATOM 1275 C THR A 84 -4.203 -3.914 -4.440 1.00 0.43 C ATOM 1276 O THR A 84 -4.566 -2.991 -3.737 1.00 0.52 O ATOM 1277 CB THR A 84 -6.440 -4.023 -5.591 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.484 -4.917 -5.949 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.072 -3.156 -6.797 1.00 0.56 C ATOM 0 H THR A 84 -6.279 -5.454 -3.402 1.00 0.45 H new ATOM 0 HA THR A 84 -4.702 -5.280 -5.989 1.00 0.45 H new ATOM 0 HB THR A 84 -6.774 -3.383 -4.774 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.102 -5.709 -6.383 1.00 0.67 H new ATOM 0 HG21 THR A 84 -6.945 -2.586 -7.116 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.272 -2.469 -6.521 1.00 0.56 H new ATOM 0 HG23 THR A 84 -5.737 -3.794 -7.615 1.00 0.56 H new ATOM 1287 N ILE A 85 -2.936 -4.173 -4.617 1.00 0.41 N ATOM 1288 CA ILE A 85 -1.902 -3.327 -3.954 1.00 0.41 C ATOM 1289 C ILE A 85 -1.531 -2.142 -4.849 1.00 0.41 C ATOM 1290 O ILE A 85 -1.328 -2.289 -6.039 1.00 0.54 O ATOM 1291 CB ILE A 85 -0.700 -4.252 -3.759 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.075 -5.381 -2.796 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.468 -3.456 -3.173 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.767 -6.506 -3.567 1.00 1.27 C ATOM 0 H ILE A 85 -2.572 -4.933 -5.192 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.253 -2.910 -3.010 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.409 -4.673 -4.721 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.182 -5.762 -2.301 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -1.735 -5.002 -2.015 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.325 -4.116 -3.034 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.738 -2.650 -3.855 1.00 0.80 H new ATOM 0 HG23 ILE A 85 0.175 -3.035 -2.211 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.033 -7.309 -2.879 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -2.670 -6.120 -4.041 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.092 -6.892 -4.331 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.439 -0.967 -4.286 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.078 0.225 -5.108 1.00 0.40 C ATOM 1308 C LYS A 86 -0.017 1.063 -4.390 1.00 0.38 C ATOM 1309 O LYS A 86 0.273 0.855 -3.229 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.375 1.022 -5.257 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.472 0.117 -5.823 1.00 0.94 C ATOM 1312 CD LYS A 86 -3.156 -0.216 -7.282 1.00 1.03 C ATOM 1313 CE LYS A 86 -4.435 -0.126 -8.115 1.00 1.37 C ATOM 1314 NZ LYS A 86 -4.596 1.325 -8.412 1.00 1.73 N ATOM 0 H LYS A 86 -1.598 -0.781 -3.296 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.662 -0.058 -6.075 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -2.682 1.421 -4.290 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.216 1.874 -5.918 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.541 -0.799 -5.236 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -4.440 0.614 -5.754 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -2.408 0.475 -7.670 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -2.732 -1.218 -7.354 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -4.352 -0.710 -9.031 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.293 -0.515 -7.566 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -5.454 1.470 -8.982 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -4.679 1.855 -7.521 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -3.768 1.665 -8.941 1.00 1.73 H new ATOM 1328 N PHE A 87 0.561 2.010 -5.076 1.00 0.37 N ATOM 1329 CA PHE A 87 1.602 2.865 -4.438 1.00 0.36 C ATOM 1330 C PHE A 87 1.310 4.342 -4.716 1.00 0.33 C ATOM 1331 O PHE A 87 0.989 4.724 -5.824 1.00 0.37 O ATOM 1332 CB PHE A 87 2.920 2.442 -5.091 1.00 0.42 C ATOM 1333 CG PHE A 87 4.035 3.341 -4.612 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.307 3.450 -3.244 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.801 4.061 -5.538 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.343 4.280 -2.799 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.837 4.891 -5.094 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.097 5.014 -3.724 1.00 0.72 C ATOM 0 H PHE A 87 0.358 2.229 -6.051 1.00 0.37 H new ATOM 0 HA PHE A 87 1.631 2.745 -3.355 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.144 1.405 -4.843 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.834 2.499 -6.176 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.717 2.893 -2.531 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.592 3.976 -6.594 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.561 4.354 -1.744 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.436 5.436 -5.808 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.879 5.675 -3.380 1.00 0.72 H new ATOM 1348 N PHE A 88 1.414 5.176 -3.718 1.00 0.33 N ATOM 1349 CA PHE A 88 1.138 6.623 -3.931 1.00 0.35 C ATOM 1350 C PHE A 88 2.400 7.455 -3.687 1.00 0.42 C ATOM 1351 O PHE A 88 3.400 6.957 -3.209 1.00 0.61 O ATOM 1352 CB PHE A 88 0.060 6.963 -2.909 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.269 6.453 -3.409 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.958 7.157 -4.404 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -1.818 5.281 -2.874 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.193 6.690 -4.864 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.055 4.814 -3.334 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.727 5.494 -4.344 1.00 0.62 C ATOM 0 H PHE A 88 1.678 4.918 -2.767 1.00 0.33 H new ATOM 0 HA PHE A 88 0.821 6.839 -4.951 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.298 6.512 -1.946 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.015 8.041 -2.753 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.535 8.061 -4.816 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.287 4.737 -2.107 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.736 7.244 -5.615 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.489 3.923 -2.903 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.658 5.106 -4.730 1.00 0.62 H new ATOM 1368 N ARG A 89 2.364 8.719 -4.018 1.00 0.47 N ATOM 1369 CA ARG A 89 3.568 9.576 -3.811 1.00 0.55 C ATOM 1370 C ARG A 89 3.165 11.039 -3.588 1.00 0.64 C ATOM 1371 O ARG A 89 2.454 11.621 -4.383 1.00 1.05 O ATOM 1372 CB ARG A 89 4.372 9.435 -5.103 1.00 0.73 C ATOM 1373 CG ARG A 89 5.786 9.981 -4.890 1.00 1.15 C ATOM 1374 CD ARG A 89 6.390 10.373 -6.241 1.00 1.42 C ATOM 1375 NE ARG A 89 7.764 10.852 -5.923 1.00 1.73 N ATOM 1376 CZ ARG A 89 8.688 10.841 -6.844 1.00 2.07 C ATOM 1377 NH1 ARG A 89 8.577 11.614 -7.890 1.00 2.43 N ATOM 1378 NH2 ARG A 89 9.724 10.056 -6.720 1.00 2.56 N ATOM 0 H ARG A 89 1.556 9.193 -4.421 1.00 0.47 H new ATOM 0 HA ARG A 89 4.138 9.275 -2.932 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.417 8.388 -5.403 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.880 9.977 -5.911 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.757 10.846 -4.228 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.409 9.229 -4.406 1.00 1.15 H new ATOM 0 HD2 ARG A 89 6.416 9.523 -6.923 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.802 11.153 -6.725 1.00 1.42 H new ATOM 0 HE ARG A 89 7.983 11.189 -4.985 1.00 1.73 H new ATOM 0 HH11 ARG A 89 7.768 12.227 -7.988 1.00 2.43 H new ATOM 0 HH12 ARG A 89 9.300 11.605 -8.610 1.00 2.43 H new ATOM 0 HH21 ARG A 89 9.811 9.451 -5.903 1.00 2.56 H new ATOM 0 HH22 ARG A 89 10.446 10.047 -7.440 1.00 2.56 H new ATOM 1392 N ASN A 90 3.648 11.633 -2.520 1.00 0.57 N ATOM 1393 CA ASN A 90 3.358 13.059 -2.201 1.00 0.68 C ATOM 1394 C ASN A 90 1.947 13.496 -2.622 1.00 0.69 C ATOM 1395 O ASN A 90 1.763 14.540 -3.216 1.00 0.98 O ATOM 1396 CB ASN A 90 4.426 13.821 -2.972 1.00 0.87 C ATOM 1397 CG ASN A 90 4.241 13.607 -4.478 1.00 1.10 C ATOM 1398 OD1 ASN A 90 5.186 13.021 -5.161 1.00 1.65 O flip ATOM 1399 ND2 ASN A 90 3.230 13.977 -5.039 1.00 1.74 N flip ATOM 0 H ASN A 90 4.249 11.168 -1.839 1.00 0.57 H new ATOM 0 HA ASN A 90 3.382 13.245 -1.127 1.00 0.68 H new ATOM 0 HB2 ASN A 90 4.366 14.884 -2.738 1.00 0.87 H new ATOM 0 HB3 ASN A 90 5.416 13.483 -2.668 1.00 0.87 H new ATOM 0 HD21 ASN A 90 2.490 14.435 -4.507 1.00 1.74 H new ATOM 0 HD22 ASN A 90 3.120 13.830 -6.042 1.00 1.74 H new ATOM 1406 N GLY A 91 0.947 12.720 -2.308 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.440 13.112 -2.685 1.00 0.75 C ATOM 1408 C GLY A 91 -0.576 13.130 -4.206 1.00 0.79 C ATOM 1409 O GLY A 91 -1.008 14.104 -4.789 1.00 1.19 O ATOM 0 H GLY A 91 1.029 11.835 -1.808 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.156 12.411 -2.255 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.673 14.096 -2.278 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.215 12.061 -4.852 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.327 12.016 -6.337 1.00 1.27 C ATOM 1415 C ASP A 92 -1.795 12.145 -6.754 1.00 1.14 C ATOM 1416 O ASP A 92 -2.163 13.042 -7.486 1.00 1.70 O ATOM 1417 CB ASP A 92 0.229 10.650 -6.739 1.00 1.93 C ATOM 1418 CG ASP A 92 1.191 10.817 -7.918 1.00 2.15 C ATOM 1419 OD1 ASP A 92 0.728 11.175 -8.988 1.00 2.68 O ATOM 1420 OD2 ASP A 92 2.374 10.584 -7.730 1.00 2.41 O ATOM 0 H ASP A 92 0.153 11.215 -4.418 1.00 0.90 H new ATOM 0 HA ASP A 92 0.215 12.829 -6.819 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.747 10.194 -5.895 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.586 9.980 -7.013 1.00 1.93 H new ATOM 1425 N THR A 93 -2.634 11.250 -6.288 1.00 0.96 N ATOM 1426 CA THR A 93 -4.089 11.298 -6.642 1.00 1.33 C ATOM 1427 C THR A 93 -4.285 11.591 -8.135 1.00 1.26 C ATOM 1428 O THR A 93 -4.990 12.507 -8.509 1.00 1.90 O ATOM 1429 CB THR A 93 -4.677 12.426 -5.789 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.089 13.666 -6.165 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.402 12.147 -4.309 1.00 1.92 C ATOM 0 H THR A 93 -2.370 10.481 -5.672 1.00 0.96 H new ATOM 0 HA THR A 93 -4.579 10.343 -6.450 1.00 1.33 H new ATOM 0 HB THR A 93 -5.754 12.478 -5.949 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.765 13.608 -7.088 1.00 2.10 H new ATOM 0 HG21 THR A 93 -4.821 12.951 -3.703 1.00 1.92 H new ATOM 0 HG22 THR A 93 -4.863 11.201 -4.025 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.326 12.091 -4.143 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.666 10.822 -8.987 1.00 1.18 N ATOM 1440 CA ALA A 94 -3.817 11.059 -10.451 1.00 1.18 C ATOM 1441 C ALA A 94 -3.196 9.906 -11.240 1.00 1.14 C ATOM 1442 O ALA A 94 -3.853 9.253 -12.028 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.064 12.363 -10.722 1.00 1.24 C ATOM 0 H ALA A 94 -3.062 10.040 -8.734 1.00 1.18 H new ATOM 0 HA ALA A 94 -4.862 11.123 -10.753 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.129 12.607 -11.782 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.508 13.168 -10.137 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.018 12.244 -10.440 1.00 1.24 H new ATOM 1449 N SER A 95 -1.937 9.653 -11.033 1.00 1.20 N ATOM 1450 CA SER A 95 -1.265 8.541 -11.767 1.00 1.22 C ATOM 1451 C SER A 95 -0.427 7.697 -10.797 1.00 0.98 C ATOM 1452 O SER A 95 0.787 7.747 -10.828 1.00 0.98 O ATOM 1453 CB SER A 95 -0.366 9.229 -12.793 1.00 1.48 C ATOM 1454 OG SER A 95 -0.372 8.487 -14.003 1.00 2.01 O ATOM 0 H SER A 95 -1.340 10.168 -10.386 1.00 1.20 H new ATOM 0 HA SER A 95 -1.979 7.867 -12.239 1.00 1.22 H new ATOM 0 HB2 SER A 95 -0.716 10.245 -12.976 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.650 9.307 -12.407 1.00 1.48 H new ATOM 0 HG SER A 95 0.203 8.930 -14.661 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.103 6.943 -9.962 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.398 6.083 -8.978 1.00 0.72 C ATOM 1462 C PRO A 96 0.269 4.897 -9.683 1.00 0.65 C ATOM 1463 O PRO A 96 -0.009 4.608 -10.829 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.513 5.608 -8.051 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.760 5.694 -8.874 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.565 6.820 -9.853 1.00 1.02 C ATOM 0 HA PRO A 96 0.397 6.605 -8.446 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.335 4.589 -7.709 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.582 6.235 -7.162 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -2.942 4.755 -9.397 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.628 5.879 -8.241 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.020 6.595 -10.817 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.018 7.744 -9.495 1.00 1.02 H new ATOM 1474 N LYS A 97 1.150 4.212 -9.006 1.00 0.55 N ATOM 1475 CA LYS A 97 1.837 3.049 -9.635 1.00 0.57 C ATOM 1476 C LYS A 97 1.269 1.737 -9.088 1.00 0.53 C ATOM 1477 O LYS A 97 1.551 1.345 -7.973 1.00 0.89 O ATOM 1478 CB LYS A 97 3.304 3.205 -9.238 1.00 0.68 C ATOM 1479 CG LYS A 97 3.943 4.321 -10.067 1.00 0.85 C ATOM 1480 CD LYS A 97 4.062 3.872 -11.526 1.00 1.63 C ATOM 1481 CE LYS A 97 5.165 4.676 -12.218 1.00 2.05 C ATOM 1482 NZ LYS A 97 4.488 5.904 -12.721 1.00 2.61 N ATOM 0 H LYS A 97 1.424 4.408 -8.043 1.00 0.55 H new ATOM 0 HA LYS A 97 1.704 3.022 -10.716 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.381 3.437 -8.176 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.837 2.268 -9.399 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.340 5.227 -10.003 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.928 4.565 -9.669 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.290 2.807 -11.573 1.00 1.63 H new ATOM 0 HD3 LYS A 97 3.113 4.018 -12.041 1.00 1.63 H new ATOM 0 HE2 LYS A 97 5.968 4.924 -11.524 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.613 4.110 -13.034 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 5.181 6.507 -13.209 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 3.733 5.637 -13.385 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 4.077 6.426 -11.921 1.00 2.61 H new ATOM 1496 N GLU A 98 0.472 1.053 -9.864 1.00 0.51 N ATOM 1497 CA GLU A 98 -0.111 -0.234 -9.384 1.00 0.48 C ATOM 1498 C GLU A 98 1.001 -1.254 -9.125 1.00 0.45 C ATOM 1499 O GLU A 98 1.957 -1.348 -9.868 1.00 0.61 O ATOM 1500 CB GLU A 98 -1.019 -0.706 -10.519 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.208 -0.820 -11.811 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.136 -2.288 -12.240 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -0.061 -3.136 -11.366 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -0.157 -2.537 -13.434 1.00 2.61 O ATOM 0 H GLU A 98 0.200 1.329 -10.808 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.658 -0.116 -8.448 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.460 -1.671 -10.268 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.842 -0.005 -10.655 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -0.670 -0.223 -12.597 1.00 1.33 H new ATOM 0 HG3 GLU A 98 0.796 -0.425 -11.659 1.00 1.33 H new ATOM 1511 N TYR A 99 0.882 -2.018 -8.075 1.00 0.45 N ATOM 1512 CA TYR A 99 1.929 -3.033 -7.764 1.00 0.46 C ATOM 1513 C TYR A 99 1.775 -4.251 -8.680 1.00 0.53 C ATOM 1514 O TYR A 99 0.916 -5.086 -8.478 1.00 0.67 O ATOM 1515 CB TYR A 99 1.675 -3.421 -6.307 1.00 0.52 C ATOM 1516 CG TYR A 99 2.727 -4.403 -5.853 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.076 -4.160 -6.136 1.00 1.58 C ATOM 1518 CD2 TYR A 99 2.354 -5.556 -5.151 1.00 1.20 C ATOM 1519 CE1 TYR A 99 5.053 -5.069 -5.718 1.00 2.05 C ATOM 1520 CE2 TYR A 99 3.334 -6.467 -4.731 1.00 1.49 C ATOM 1521 CZ TYR A 99 4.672 -6.230 -5.005 1.00 1.70 C ATOM 1522 OH TYR A 99 5.649 -7.117 -4.603 1.00 2.27 O ATOM 0 H TYR A 99 0.103 -1.984 -7.417 1.00 0.45 H new ATOM 0 HA TYR A 99 2.938 -2.650 -7.916 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.695 -2.533 -5.675 1.00 0.52 H new ATOM 0 HB3 TYR A 99 0.683 -3.862 -6.205 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.362 -3.270 -6.677 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.313 -5.743 -4.933 1.00 1.20 H new ATOM 0 HE1 TYR A 99 6.094 -4.885 -5.939 1.00 2.05 H new ATOM 0 HE2 TYR A 99 3.045 -7.357 -4.192 1.00 1.49 H new ATOM 0 HH TYR A 99 5.279 -8.024 -4.582 1.00 2.27 H new ATOM 1532 N THR A 100 2.601 -4.359 -9.686 1.00 0.60 N ATOM 1533 CA THR A 100 2.499 -5.522 -10.614 1.00 0.72 C ATOM 1534 C THR A 100 2.968 -6.802 -9.918 1.00 0.83 C ATOM 1535 O THR A 100 2.337 -7.836 -10.014 1.00 1.71 O ATOM 1536 CB THR A 100 3.426 -5.178 -11.782 1.00 0.93 C ATOM 1537 OG1 THR A 100 4.761 -5.073 -11.309 1.00 1.36 O ATOM 1538 CG2 THR A 100 2.994 -3.849 -12.403 1.00 1.13 C ATOM 0 H THR A 100 3.341 -3.693 -9.905 1.00 0.60 H new ATOM 0 HA THR A 100 1.474 -5.698 -10.942 1.00 0.72 H new ATOM 0 HB THR A 100 3.369 -5.963 -12.536 1.00 0.93 H new ATOM 0 HG1 THR A 100 4.876 -4.221 -10.839 1.00 1.36 H new ATOM 0 HG21 THR A 100 3.655 -3.604 -13.235 1.00 1.13 H new ATOM 0 HG22 THR A 100 1.970 -3.933 -12.766 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.050 -3.061 -11.652 1.00 1.13 H new ATOM 1546 N ALA A 101 4.069 -6.742 -9.221 1.00 0.83 N ATOM 1547 CA ALA A 101 4.574 -7.958 -8.521 1.00 1.01 C ATOM 1548 C ALA A 101 3.525 -8.465 -7.527 1.00 1.36 C ATOM 1549 O ALA A 101 2.364 -8.119 -7.605 1.00 1.98 O ATOM 1550 CB ALA A 101 5.835 -7.501 -7.788 1.00 0.87 C ATOM 0 H ALA A 101 4.641 -5.905 -9.106 1.00 0.83 H new ATOM 0 HA ALA A 101 4.782 -8.777 -9.210 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.267 -8.343 -7.247 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.559 -7.124 -8.510 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.580 -6.710 -7.083 1.00 0.87 H new ATOM 1556 N GLY A 102 3.923 -9.282 -6.589 1.00 1.17 N ATOM 1557 CA GLY A 102 2.942 -9.802 -5.595 1.00 1.71 C ATOM 1558 C GLY A 102 3.240 -11.273 -5.299 1.00 1.08 C ATOM 1559 O GLY A 102 2.643 -12.166 -5.869 1.00 1.27 O ATOM 0 H GLY A 102 4.881 -9.610 -6.469 1.00 1.17 H new ATOM 0 HA2 GLY A 102 2.996 -9.218 -4.676 1.00 1.71 H new ATOM 0 HA3 GLY A 102 1.928 -9.697 -5.981 1.00 1.71 H new ATOM 1563 N ARG A 103 4.155 -11.531 -4.407 1.00 0.90 N ATOM 1564 CA ARG A 103 4.493 -12.943 -4.063 1.00 1.11 C ATOM 1565 C ARG A 103 5.156 -12.999 -2.686 1.00 0.94 C ATOM 1566 O ARG A 103 4.869 -13.862 -1.879 1.00 1.04 O ATOM 1567 CB ARG A 103 5.466 -13.399 -5.153 1.00 1.71 C ATOM 1568 CG ARG A 103 5.016 -14.754 -5.703 1.00 2.44 C ATOM 1569 CD ARG A 103 5.513 -14.915 -7.143 1.00 3.16 C ATOM 1570 NE ARG A 103 4.435 -15.673 -7.839 1.00 3.73 N ATOM 1571 CZ ARG A 103 3.745 -15.103 -8.790 1.00 4.34 C ATOM 1572 NH1 ARG A 103 3.424 -13.843 -8.697 1.00 4.84 N ATOM 1573 NH2 ARG A 103 3.376 -15.795 -9.833 1.00 4.81 N ATOM 0 H ARG A 103 4.686 -10.823 -3.899 1.00 0.90 H new ATOM 0 HA ARG A 103 3.612 -13.583 -4.019 1.00 1.11 H new ATOM 0 HB2 ARG A 103 5.501 -12.662 -5.955 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.474 -13.476 -4.746 1.00 1.71 H new ATOM 0 HG2 ARG A 103 5.407 -15.559 -5.080 1.00 2.44 H new ATOM 0 HG3 ARG A 103 3.929 -14.827 -5.672 1.00 2.44 H new ATOM 0 HD2 ARG A 103 5.681 -13.946 -7.613 1.00 3.16 H new ATOM 0 HD3 ARG A 103 6.460 -15.454 -7.176 1.00 3.16 H new ATOM 0 HE ARG A 103 4.236 -16.637 -7.572 1.00 3.73 H new ATOM 0 HH11 ARG A 103 3.712 -13.302 -7.881 1.00 4.84 H new ATOM 0 HH12 ARG A 103 2.885 -13.398 -9.440 1.00 4.84 H new ATOM 0 HH21 ARG A 103 3.626 -16.781 -9.905 1.00 4.81 H new ATOM 0 HH22 ARG A 103 2.837 -15.350 -10.576 1.00 4.81 H new ATOM 1587 N GLU A 104 6.037 -12.080 -2.412 1.00 0.75 N ATOM 1588 CA GLU A 104 6.721 -12.066 -1.087 1.00 0.66 C ATOM 1589 C GLU A 104 7.109 -10.632 -0.715 1.00 0.56 C ATOM 1590 O GLU A 104 7.293 -9.791 -1.572 1.00 0.57 O ATOM 1591 CB GLU A 104 7.970 -12.928 -1.275 1.00 0.79 C ATOM 1592 CG GLU A 104 7.555 -14.355 -1.638 1.00 1.59 C ATOM 1593 CD GLU A 104 8.732 -15.303 -1.403 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.647 -15.292 -2.210 1.00 2.51 O ATOM 1595 OE2 GLU A 104 8.699 -16.023 -0.418 1.00 2.04 O ATOM 0 H GLU A 104 6.315 -11.334 -3.050 1.00 0.75 H new ATOM 0 HA GLU A 104 6.085 -12.444 -0.287 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.599 -12.510 -2.061 1.00 0.79 H new ATOM 0 HB3 GLU A 104 8.563 -12.932 -0.361 1.00 0.79 H new ATOM 0 HG2 GLU A 104 6.701 -14.662 -1.034 1.00 1.59 H new ATOM 0 HG3 GLU A 104 7.241 -14.400 -2.681 1.00 1.59 H new ATOM 1602 N ALA A 105 7.229 -10.345 0.557 1.00 0.50 N ATOM 1603 CA ALA A 105 7.601 -8.961 0.991 1.00 0.44 C ATOM 1604 C ALA A 105 8.771 -8.421 0.161 1.00 0.45 C ATOM 1605 O ALA A 105 8.852 -7.240 -0.118 1.00 0.47 O ATOM 1606 CB ALA A 105 8.012 -9.105 2.456 1.00 0.47 C ATOM 0 H ALA A 105 7.085 -11.011 1.316 1.00 0.50 H new ATOM 0 HA ALA A 105 6.777 -8.260 0.857 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.300 -8.131 2.850 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.174 -9.496 3.032 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.856 -9.791 2.531 1.00 0.47 H new ATOM 1612 N ASP A 106 9.674 -9.272 -0.240 1.00 0.51 N ATOM 1613 CA ASP A 106 10.827 -8.794 -1.054 1.00 0.56 C ATOM 1614 C ASP A 106 10.328 -8.232 -2.384 1.00 0.54 C ATOM 1615 O ASP A 106 10.831 -7.246 -2.880 1.00 0.64 O ATOM 1616 CB ASP A 106 11.696 -10.029 -1.290 1.00 0.67 C ATOM 1617 CG ASP A 106 12.402 -10.416 0.011 1.00 1.18 C ATOM 1618 OD1 ASP A 106 11.766 -11.041 0.843 1.00 1.82 O ATOM 1619 OD2 ASP A 106 13.567 -10.080 0.152 1.00 2.02 O ATOM 0 H ASP A 106 9.664 -10.272 -0.041 1.00 0.51 H new ATOM 0 HA ASP A 106 11.382 -8.000 -0.554 1.00 0.56 H new ATOM 0 HB2 ASP A 106 11.081 -10.857 -1.642 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.432 -9.825 -2.068 1.00 0.67 H new ATOM 1624 N ASP A 107 9.340 -8.855 -2.960 1.00 0.50 N ATOM 1625 CA ASP A 107 8.802 -8.364 -4.261 1.00 0.52 C ATOM 1626 C ASP A 107 8.247 -6.947 -4.105 1.00 0.51 C ATOM 1627 O ASP A 107 8.414 -6.105 -4.964 1.00 0.63 O ATOM 1628 CB ASP A 107 7.683 -9.343 -4.622 1.00 0.55 C ATOM 1629 CG ASP A 107 8.292 -10.686 -5.031 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.069 -11.221 -4.258 1.00 1.41 O ATOM 1631 OD2 ASP A 107 7.968 -11.156 -6.109 1.00 1.39 O ATOM 0 H ASP A 107 8.880 -9.685 -2.586 1.00 0.50 H new ATOM 0 HA ASP A 107 9.569 -8.319 -5.034 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.015 -9.478 -3.771 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.082 -8.941 -5.438 1.00 0.55 H new ATOM 1636 N ILE A 108 7.587 -6.681 -3.014 1.00 0.46 N ATOM 1637 CA ILE A 108 7.014 -5.321 -2.800 1.00 0.52 C ATOM 1638 C ILE A 108 8.133 -4.288 -2.641 1.00 0.50 C ATOM 1639 O ILE A 108 8.027 -3.168 -3.098 1.00 0.52 O ATOM 1640 CB ILE A 108 6.205 -5.435 -1.510 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.076 -6.449 -1.708 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.609 -4.071 -1.158 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.352 -6.670 -0.380 1.00 0.68 C ATOM 0 H ILE A 108 7.419 -7.346 -2.259 1.00 0.46 H new ATOM 0 HA ILE A 108 6.402 -4.995 -3.641 1.00 0.52 H new ATOM 0 HB ILE A 108 6.855 -5.766 -0.700 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.376 -6.087 -2.461 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.480 -7.392 -2.076 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.032 -4.153 -0.237 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.413 -3.348 -1.019 1.00 0.67 H new ATOM 0 HG23 ILE A 108 4.958 -3.739 -1.966 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.548 -7.392 -0.520 1.00 0.68 H new ATOM 0 HD12 ILE A 108 5.057 -7.050 0.360 1.00 0.68 H new ATOM 0 HD13 ILE A 108 3.935 -5.725 -0.031 1.00 0.68 H new ATOM 1655 N VAL A 109 9.210 -4.657 -2.002 1.00 0.51 N ATOM 1656 CA VAL A 109 10.331 -3.692 -1.827 1.00 0.56 C ATOM 1657 C VAL A 109 11.115 -3.588 -3.131 1.00 0.51 C ATOM 1658 O VAL A 109 11.576 -2.531 -3.514 1.00 0.55 O ATOM 1659 CB VAL A 109 11.202 -4.283 -0.718 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.402 -3.366 -0.474 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.379 -4.400 0.566 1.00 0.86 C ATOM 0 H VAL A 109 9.361 -5.580 -1.596 1.00 0.51 H new ATOM 0 HA VAL A 109 9.988 -2.690 -1.571 1.00 0.56 H new ATOM 0 HB VAL A 109 11.553 -5.271 -1.015 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.025 -3.785 0.316 1.00 0.81 H new ATOM 0 HG12 VAL A 109 12.987 -3.280 -1.390 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.050 -2.379 -0.174 1.00 0.81 H new ATOM 0 HG21 VAL A 109 10.998 -4.821 1.358 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.029 -3.412 0.865 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.522 -5.050 0.391 1.00 0.86 H new ATOM 1671 N ASN A 110 11.256 -4.683 -3.822 1.00 0.50 N ATOM 1672 CA ASN A 110 11.995 -4.661 -5.111 1.00 0.52 C ATOM 1673 C ASN A 110 11.280 -3.736 -6.094 1.00 0.50 C ATOM 1674 O ASN A 110 11.894 -3.093 -6.922 1.00 0.59 O ATOM 1675 CB ASN A 110 11.957 -6.107 -5.600 1.00 0.59 C ATOM 1676 CG ASN A 110 13.294 -6.468 -6.249 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.714 -5.838 -7.199 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.984 -7.467 -5.769 1.00 1.29 N ATOM 0 H ASN A 110 10.890 -5.595 -3.548 1.00 0.50 H new ATOM 0 HA ASN A 110 13.016 -4.294 -5.012 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.754 -6.778 -4.765 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.147 -6.237 -6.317 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.877 -7.720 -6.192 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.630 -7.995 -4.971 1.00 1.29 H new ATOM 1685 N TRP A 111 9.983 -3.651 -5.994 1.00 0.46 N ATOM 1686 CA TRP A 111 9.222 -2.753 -6.903 1.00 0.51 C ATOM 1687 C TRP A 111 9.266 -1.331 -6.345 1.00 0.55 C ATOM 1688 O TRP A 111 9.177 -0.359 -7.068 1.00 0.66 O ATOM 1689 CB TRP A 111 7.793 -3.295 -6.893 1.00 0.55 C ATOM 1690 CG TRP A 111 7.163 -3.076 -8.230 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.285 -3.905 -9.292 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.312 -1.976 -8.664 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.564 -3.381 -10.352 1.00 0.84 N ATOM 1694 CE2 TRP A 111 5.946 -2.194 -10.013 1.00 0.83 C ATOM 1695 CE3 TRP A 111 5.827 -0.822 -8.023 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.129 -1.297 -10.702 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.006 0.082 -8.714 1.00 1.07 C ATOM 1698 CH2 TRP A 111 4.657 -0.156 -10.051 1.00 1.14 C ATOM 0 H TRP A 111 9.417 -4.166 -5.320 1.00 0.46 H new ATOM 0 HA TRP A 111 9.628 -2.724 -7.914 1.00 0.51 H new ATOM 0 HB2 TRP A 111 7.799 -4.358 -6.652 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.210 -2.796 -6.119 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.852 -4.824 -9.310 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.498 -3.819 -11.271 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.088 -0.630 -6.993 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 4.864 -1.484 -11.732 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 4.641 0.966 -8.213 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.023 0.543 -10.577 1.00 1.14 H new ATOM 1709 N LEU A 112 9.410 -1.213 -5.053 1.00 0.55 N ATOM 1710 CA LEU A 112 9.468 0.133 -4.421 1.00 0.65 C ATOM 1711 C LEU A 112 10.879 0.717 -4.550 1.00 0.65 C ATOM 1712 O LEU A 112 11.053 1.910 -4.703 1.00 0.75 O ATOM 1713 CB LEU A 112 9.120 -0.119 -2.953 1.00 0.74 C ATOM 1714 CG LEU A 112 7.772 0.526 -2.621 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.867 2.042 -2.808 1.00 1.10 C ATOM 1716 CD2 LEU A 112 6.690 -0.036 -3.547 1.00 1.49 C ATOM 0 H LEU A 112 9.490 -1.997 -4.405 1.00 0.55 H new ATOM 0 HA LEU A 112 8.790 0.847 -4.889 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.078 -1.191 -2.759 1.00 0.74 H new ATOM 0 HB3 LEU A 112 9.898 0.292 -2.310 1.00 0.74 H new ATOM 0 HG LEU A 112 7.513 0.304 -1.586 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.906 2.499 -2.571 1.00 1.10 H new ATOM 0 HD12 LEU A 112 8.633 2.443 -2.144 1.00 1.10 H new ATOM 0 HD13 LEU A 112 8.130 2.265 -3.842 1.00 1.10 H new ATOM 0 HD21 LEU A 112 5.732 0.425 -3.308 1.00 1.49 H new ATOM 0 HD22 LEU A 112 6.949 0.181 -4.583 1.00 1.49 H new ATOM 0 HD23 LEU A 112 6.618 -1.115 -3.410 1.00 1.49 H new ATOM 1728 N LYS A 113 11.891 -0.112 -4.488 1.00 0.62 N ATOM 1729 CA LYS A 113 13.285 0.410 -4.604 1.00 0.70 C ATOM 1730 C LYS A 113 13.737 0.422 -6.069 1.00 0.75 C ATOM 1731 O LYS A 113 14.910 0.544 -6.362 1.00 1.01 O ATOM 1732 CB LYS A 113 14.140 -0.562 -3.791 1.00 0.79 C ATOM 1733 CG LYS A 113 14.605 0.121 -2.505 1.00 1.42 C ATOM 1734 CD LYS A 113 14.953 -0.943 -1.462 1.00 1.84 C ATOM 1735 CE LYS A 113 15.539 -0.268 -0.219 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.827 -0.972 0.028 1.00 2.86 N ATOM 0 H LYS A 113 11.812 -1.121 -4.363 1.00 0.62 H new ATOM 0 HA LYS A 113 13.368 1.435 -4.241 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.565 -1.457 -3.553 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.001 -0.883 -4.377 1.00 0.79 H new ATOM 0 HG2 LYS A 113 15.474 0.747 -2.706 1.00 1.42 H new ATOM 0 HG3 LYS A 113 13.822 0.777 -2.125 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.062 -1.510 -1.194 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.670 -1.652 -1.876 1.00 1.84 H new ATOM 0 HE2 LYS A 113 15.697 0.798 -0.385 1.00 2.39 H new ATOM 0 HE3 LYS A 113 14.868 -0.361 0.635 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.121 -0.822 1.014 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 16.705 -1.990 -0.145 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 17.556 -0.597 -0.612 1.00 2.86 H new ATOM 1750 N LYS A 114 12.822 0.301 -6.992 1.00 0.71 N ATOM 1751 CA LYS A 114 13.212 0.308 -8.432 1.00 0.89 C ATOM 1752 C LYS A 114 13.415 1.745 -8.920 1.00 1.07 C ATOM 1753 O LYS A 114 14.080 1.988 -9.908 1.00 1.31 O ATOM 1754 CB LYS A 114 12.040 -0.346 -9.165 1.00 0.92 C ATOM 1755 CG LYS A 114 12.525 -1.613 -9.874 1.00 1.45 C ATOM 1756 CD LYS A 114 11.470 -2.071 -10.883 1.00 1.77 C ATOM 1757 CE LYS A 114 11.947 -1.753 -12.301 1.00 2.49 C ATOM 1758 NZ LYS A 114 11.499 -0.356 -12.553 1.00 3.00 N ATOM 0 H LYS A 114 11.823 0.198 -6.812 1.00 0.71 H new ATOM 0 HA LYS A 114 14.149 -0.222 -8.607 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.247 -0.592 -8.459 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.616 0.350 -9.889 1.00 0.92 H new ATOM 0 HG2 LYS A 114 13.469 -1.419 -10.383 1.00 1.45 H new ATOM 0 HG3 LYS A 114 12.712 -2.401 -9.145 1.00 1.45 H new ATOM 0 HD2 LYS A 114 11.293 -3.141 -10.779 1.00 1.77 H new ATOM 0 HD3 LYS A 114 10.522 -1.570 -10.686 1.00 1.77 H new ATOM 0 HE2 LYS A 114 13.030 -1.841 -12.382 1.00 2.49 H new ATOM 0 HE3 LYS A 114 11.516 -2.443 -13.027 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 11.621 -0.129 -13.561 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 10.496 -0.261 -12.296 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 12.067 0.300 -11.979 1.00 3.00 H new ATOM 1772 N ARG A 115 12.845 2.701 -8.238 1.00 1.09 N ATOM 1773 CA ARG A 115 13.004 4.120 -8.667 1.00 1.40 C ATOM 1774 C ARG A 115 13.100 5.037 -7.444 1.00 1.25 C ATOM 1775 O ARG A 115 12.275 5.905 -7.241 1.00 1.55 O ATOM 1776 CB ARG A 115 11.744 4.432 -9.474 1.00 1.86 C ATOM 1777 CG ARG A 115 11.939 5.740 -10.242 1.00 2.43 C ATOM 1778 CD ARG A 115 10.645 6.556 -10.199 1.00 2.92 C ATOM 1779 NE ARG A 115 9.800 5.993 -11.288 1.00 3.45 N ATOM 1780 CZ ARG A 115 9.776 6.568 -12.460 1.00 3.99 C ATOM 1781 NH1 ARG A 115 9.537 7.848 -12.554 1.00 4.34 N ATOM 1782 NH2 ARG A 115 9.991 5.863 -13.537 1.00 4.52 N ATOM 0 H ARG A 115 12.276 2.561 -7.403 1.00 1.09 H new ATOM 0 HA ARG A 115 13.911 4.276 -9.250 1.00 1.40 H new ATOM 0 HB2 ARG A 115 11.534 3.618 -10.168 1.00 1.86 H new ATOM 0 HB3 ARG A 115 10.884 4.514 -8.809 1.00 1.86 H new ATOM 0 HG2 ARG A 115 12.757 6.312 -9.804 1.00 2.43 H new ATOM 0 HG3 ARG A 115 12.214 5.530 -11.275 1.00 2.43 H new ATOM 0 HD2 ARG A 115 10.153 6.466 -9.231 1.00 2.92 H new ATOM 0 HD3 ARG A 115 10.841 7.616 -10.359 1.00 2.92 H new ATOM 0 HE ARG A 115 9.240 5.158 -11.118 1.00 3.45 H new ATOM 0 HH11 ARG A 115 9.369 8.399 -11.712 1.00 4.34 H new ATOM 0 HH12 ARG A 115 9.518 8.297 -13.469 1.00 4.34 H new ATOM 0 HH21 ARG A 115 10.178 4.863 -13.463 1.00 4.52 H new ATOM 0 HH22 ARG A 115 9.972 6.312 -14.453 1.00 4.52 H new ATOM 1796 N THR A 116 14.101 4.852 -6.628 1.00 1.09 N ATOM 1797 CA THR A 116 14.247 5.716 -5.421 1.00 1.33 C ATOM 1798 C THR A 116 15.726 5.999 -5.147 1.00 1.97 C ATOM 1799 O THR A 116 16.156 7.136 -5.120 1.00 2.63 O ATOM 1800 CB THR A 116 13.634 4.906 -4.278 1.00 1.60 C ATOM 1801 OG1 THR A 116 13.896 3.524 -4.484 1.00 2.17 O ATOM 1802 CG2 THR A 116 12.124 5.141 -4.239 1.00 1.81 C ATOM 0 H THR A 116 14.823 4.141 -6.744 1.00 1.09 H new ATOM 0 HA THR A 116 13.758 6.682 -5.544 1.00 1.33 H new ATOM 0 HB THR A 116 14.074 5.221 -3.332 1.00 1.60 H new ATOM 0 HG1 THR A 116 14.440 3.180 -3.745 1.00 2.17 H new ATOM 0 HG21 THR A 116 11.687 4.564 -3.424 1.00 1.81 H new ATOM 0 HG22 THR A 116 11.925 6.201 -4.080 1.00 1.81 H new ATOM 0 HG23 THR A 116 11.682 4.826 -5.184 1.00 1.81 H new ATOM 1810 N GLY A 117 16.510 4.975 -4.943 1.00 2.26 N ATOM 1811 CA GLY A 117 17.960 5.189 -4.673 1.00 3.23 C ATOM 1812 C GLY A 117 18.749 5.040 -5.979 1.00 3.72 C ATOM 1813 O GLY A 117 18.167 4.945 -7.042 1.00 3.64 O ATOM 0 H GLY A 117 16.209 4.000 -4.952 1.00 2.26 H new ATOM 0 HA2 GLY A 117 18.120 6.181 -4.250 1.00 3.23 H new ATOM 0 HA3 GLY A 117 18.314 4.467 -3.937 1.00 3.23 H new ATOM 1817 N PRO A 118 20.055 5.021 -5.860 1.00 4.60 N ATOM 1818 CA PRO A 118 20.920 4.880 -7.059 1.00 5.37 C ATOM 1819 C PRO A 118 20.853 3.450 -7.601 1.00 5.55 C ATOM 1820 O PRO A 118 20.090 2.631 -7.127 1.00 5.89 O ATOM 1821 CB PRO A 118 22.318 5.195 -6.534 1.00 6.27 C ATOM 1822 CG PRO A 118 22.261 4.883 -5.071 1.00 6.17 C ATOM 1823 CD PRO A 118 20.844 5.128 -4.624 1.00 5.22 C ATOM 0 HA PRO A 118 20.622 5.532 -7.880 1.00 5.37 H new ATOM 0 HB2 PRO A 118 23.074 4.592 -7.037 1.00 6.27 H new ATOM 0 HB3 PRO A 118 22.578 6.240 -6.705 1.00 6.27 H new ATOM 0 HG2 PRO A 118 22.551 3.849 -4.886 1.00 6.17 H new ATOM 0 HG3 PRO A 118 22.955 5.513 -4.515 1.00 6.17 H new ATOM 0 HD2 PRO A 118 20.527 4.394 -3.884 1.00 5.22 H new ATOM 0 HD3 PRO A 118 20.735 6.111 -4.165 1.00 5.22 H new ATOM 1831 N ALA A 119 21.645 3.143 -8.592 1.00 5.74 N ATOM 1832 CA ALA A 119 21.625 1.766 -9.162 1.00 6.37 C ATOM 1833 C ALA A 119 23.037 1.174 -9.164 1.00 7.12 C ATOM 1834 O ALA A 119 23.323 0.224 -8.463 1.00 7.52 O ATOM 1835 CB ALA A 119 21.113 1.937 -10.593 1.00 6.62 C ATOM 0 H ALA A 119 22.304 3.785 -9.031 1.00 5.74 H new ATOM 0 HA ALA A 119 20.998 1.088 -8.583 1.00 6.37 H new ATOM 0 HB1 ALA A 119 21.069 0.964 -11.082 1.00 6.62 H new ATOM 0 HB2 ALA A 119 20.116 2.378 -10.573 1.00 6.62 H new ATOM 0 HB3 ALA A 119 21.788 2.591 -11.145 1.00 6.62 H new ATOM 1841 N ALA A 120 23.924 1.730 -9.944 1.00 7.64 N ATOM 1842 CA ALA A 120 25.317 1.198 -9.986 1.00 8.64 C ATOM 1843 C ALA A 120 26.257 2.115 -9.200 1.00 9.09 C ATOM 1844 O ALA A 120 25.820 2.661 -8.200 1.00 9.37 O ATOM 1845 CB ALA A 120 25.692 1.188 -11.468 1.00 9.17 C ATOM 1846 OXT ALA A 120 27.397 2.255 -9.610 1.00 9.38 O ATOM 0 H ALA A 120 23.745 2.528 -10.553 1.00 7.64 H new ATOM 0 HA ALA A 120 25.395 0.207 -9.539 1.00 8.64 H new ATOM 0 HB1 ALA A 120 26.707 0.808 -11.584 1.00 9.17 H new ATOM 0 HB2 ALA A 120 25.000 0.547 -12.014 1.00 9.17 H new ATOM 0 HB3 ALA A 120 25.637 2.202 -11.864 1.00 9.17 H new TER 1852 ALA A 120