USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 642 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 MET CE :methyl -131:sc=-0.00531 (180deg=-0.0646) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -121:sc= 0.226 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.556 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -2.72 X(o=-2.7,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.151) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.64! K(o=-2.6!,f=-1.5) USER MOD Single : A 34 SER OG : rot 180:sc= 0.056 USER MOD Single : A 38 THR OG1 : rot 175:sc= -7.61! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 161:sc= -0.0217 (180deg=-0.547) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.68 K(o=-1.7,f=-5.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0678 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 55 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.36) USER MOD Single : A 57 TYR OH : rot -146:sc= 1.2 USER MOD Single : A 59 GLN : amide:sc= 0.0557 X(o=0.056,f=-0.0054) USER MOD Single : A 60 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0227) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 142:sc= 0 (180deg=-0.0726) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.770 17.902 -2.717 1.00 0.00 N ATOM 2 CA MET A 1 -9.228 16.907 -3.729 1.00 0.00 C ATOM 3 C MET A 1 -8.051 16.456 -4.598 1.00 0.00 C ATOM 4 O MET A 1 -7.634 15.314 -4.549 1.00 0.00 O ATOM 5 CB MET A 1 -10.265 17.648 -4.573 1.00 0.00 C ATOM 6 CG MET A 1 -11.638 17.540 -3.907 1.00 0.00 C ATOM 7 SD MET A 1 -12.835 18.537 -4.829 1.00 0.00 S ATOM 8 CE MET A 1 -13.189 17.323 -6.124 1.00 0.00 C ATOM 0 H1 MET A 1 -9.577 18.200 -2.133 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.045 17.470 -2.109 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.368 18.730 -3.201 1.00 0.00 H new ATOM 0 HA MET A 1 -9.643 16.011 -3.268 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.982 18.695 -4.679 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.302 17.225 -5.577 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.960 16.499 -3.880 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.581 17.883 -2.874 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.118 17.802 -7.101 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.467 16.508 -6.066 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.195 16.927 -5.986 1.00 0.00 H new ATOM 20 N LYS A 2 -7.515 17.348 -5.392 1.00 0.00 N ATOM 21 CA LYS A 2 -6.363 16.980 -6.272 1.00 0.00 C ATOM 22 C LYS A 2 -5.169 16.520 -5.426 1.00 0.00 C ATOM 23 O LYS A 2 -5.160 16.668 -4.218 1.00 0.00 O ATOM 24 CB LYS A 2 -6.018 18.257 -7.051 1.00 0.00 C ATOM 25 CG LYS A 2 -5.644 19.383 -6.079 1.00 0.00 C ATOM 26 CD LYS A 2 -6.052 20.730 -6.677 1.00 0.00 C ATOM 27 CE LYS A 2 -5.533 21.862 -5.789 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.351 23.019 -6.709 1.00 0.00 N ATOM 0 H LYS A 2 -7.825 18.317 -5.469 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.610 16.156 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.189 18.064 -7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.868 18.561 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.143 19.232 -5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.571 19.369 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.648 20.830 -7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -7.137 20.788 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.241 22.097 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.594 21.588 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.996 23.836 -6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.667 22.768 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.263 23.261 -7.147 1.00 0.00 H new ATOM 42 N LYS A 3 -4.165 15.966 -6.056 1.00 0.00 N ATOM 43 CA LYS A 3 -2.966 15.495 -5.303 1.00 0.00 C ATOM 44 C LYS A 3 -1.691 15.846 -6.073 1.00 0.00 C ATOM 45 O LYS A 3 -1.333 15.187 -7.031 1.00 0.00 O ATOM 46 CB LYS A 3 -3.131 13.977 -5.202 1.00 0.00 C ATOM 47 CG LYS A 3 -2.082 13.408 -4.242 1.00 0.00 C ATOM 48 CD LYS A 3 -0.871 12.913 -5.035 1.00 0.00 C ATOM 49 CE LYS A 3 0.167 12.333 -4.072 1.00 0.00 C ATOM 50 NZ LYS A 3 1.046 13.482 -3.716 1.00 0.00 N ATOM 0 H LYS A 3 -4.125 15.819 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.884 15.961 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.133 13.733 -4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.021 13.523 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.774 14.173 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.510 12.589 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.179 12.154 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.436 13.734 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.308 11.910 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.736 11.531 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.027 13.266 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.727 14.333 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.998 13.651 -2.691 1.00 0.00 H new ATOM 64 N ASP A 4 -1.007 16.881 -5.658 1.00 0.00 N ATOM 65 CA ASP A 4 0.247 17.285 -6.357 1.00 0.00 C ATOM 66 C ASP A 4 1.465 16.671 -5.651 1.00 0.00 C ATOM 67 O ASP A 4 1.387 16.324 -4.490 1.00 0.00 O ATOM 68 CB ASP A 4 0.281 18.810 -6.258 1.00 0.00 C ATOM 69 CG ASP A 4 -0.829 19.404 -7.126 1.00 0.00 C ATOM 70 OD1 ASP A 4 -1.932 19.550 -6.625 1.00 0.00 O ATOM 71 OD2 ASP A 4 -0.558 19.703 -8.278 1.00 0.00 O ATOM 0 H ASP A 4 -1.265 17.465 -4.862 1.00 0.00 H new ATOM 0 HA ASP A 4 0.274 16.944 -7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.151 19.120 -5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.251 19.184 -6.584 1.00 0.00 H new ATOM 76 N PRO A 5 2.561 16.555 -6.370 1.00 0.00 N ATOM 77 CA PRO A 5 3.790 15.975 -5.772 1.00 0.00 C ATOM 78 C PRO A 5 4.407 16.951 -4.765 1.00 0.00 C ATOM 79 O PRO A 5 5.120 16.553 -3.862 1.00 0.00 O ATOM 80 CB PRO A 5 4.715 15.772 -6.971 1.00 0.00 C ATOM 81 CG PRO A 5 4.247 16.758 -7.991 1.00 0.00 C ATOM 82 CD PRO A 5 2.767 16.942 -7.777 1.00 0.00 C ATOM 0 HA PRO A 5 3.604 15.051 -5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.756 15.948 -6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.652 14.752 -7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.774 17.706 -7.881 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.449 16.396 -8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.463 17.973 -7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.185 16.316 -8.453 1.00 0.00 H new ATOM 90 N ASN A 6 4.141 18.225 -4.915 1.00 0.00 N ATOM 91 CA ASN A 6 4.711 19.233 -3.969 1.00 0.00 C ATOM 92 C ASN A 6 4.231 18.957 -2.542 1.00 0.00 C ATOM 93 O ASN A 6 4.978 19.106 -1.592 1.00 0.00 O ATOM 94 CB ASN A 6 4.187 20.586 -4.454 1.00 0.00 C ATOM 95 CG ASN A 6 5.018 21.059 -5.648 1.00 0.00 C ATOM 96 OD1 ASN A 6 5.979 21.786 -5.484 1.00 0.00 O ATOM 97 ND2 ASN A 6 4.688 20.675 -6.851 1.00 0.00 N ATOM 0 H ASN A 6 3.552 18.611 -5.653 1.00 0.00 H new ATOM 0 HA ASN A 6 5.800 19.202 -3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.138 20.501 -4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.240 21.318 -3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.236 20.985 -7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.882 20.065 -6.989 1.00 0.00 H new ATOM 104 N ALA A 7 2.992 18.560 -2.383 1.00 0.00 N ATOM 105 CA ALA A 7 2.467 18.280 -1.013 1.00 0.00 C ATOM 106 C ALA A 7 2.352 16.763 -0.776 1.00 0.00 C ATOM 107 O ALA A 7 1.988 16.031 -1.674 1.00 0.00 O ATOM 108 CB ALA A 7 1.082 18.928 -0.974 1.00 0.00 C ATOM 0 H ALA A 7 2.324 18.418 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 7 3.127 18.673 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.631 18.764 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.176 19.999 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.451 18.484 -1.743 1.00 0.00 H new ATOM 114 N PRO A 8 2.656 16.333 0.433 1.00 0.00 N ATOM 115 CA PRO A 8 2.567 14.901 0.769 1.00 0.00 C ATOM 116 C PRO A 8 1.138 14.506 1.150 1.00 0.00 C ATOM 117 O PRO A 8 0.829 14.309 2.310 1.00 0.00 O ATOM 118 CB PRO A 8 3.512 14.735 1.936 1.00 0.00 C ATOM 119 CG PRO A 8 3.651 16.082 2.543 1.00 0.00 C ATOM 120 CD PRO A 8 3.103 17.113 1.586 1.00 0.00 C ATOM 0 HA PRO A 8 2.830 14.260 -0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.118 14.020 2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.478 14.354 1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.114 16.125 3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.699 16.290 2.761 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.280 17.672 2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.865 17.839 1.304 1.00 0.00 H new ATOM 128 N LYS A 9 0.266 14.380 0.182 1.00 0.00 N ATOM 129 CA LYS A 9 -1.151 13.991 0.479 1.00 0.00 C ATOM 130 C LYS A 9 -1.202 12.599 1.107 1.00 0.00 C ATOM 131 O LYS A 9 -0.208 12.078 1.569 1.00 0.00 O ATOM 132 CB LYS A 9 -1.856 14.010 -0.885 1.00 0.00 C ATOM 133 CG LYS A 9 -2.156 15.460 -1.278 1.00 0.00 C ATOM 134 CD LYS A 9 -3.184 16.062 -0.307 1.00 0.00 C ATOM 135 CE LYS A 9 -2.641 17.368 0.284 1.00 0.00 C ATOM 136 NZ LYS A 9 -3.849 18.139 0.688 1.00 0.00 N ATOM 0 H LYS A 9 0.473 14.530 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.628 14.665 1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.226 13.539 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.781 13.435 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.238 16.048 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.540 15.498 -2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.122 16.251 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.401 15.353 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.992 17.175 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.049 17.917 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.558 19.048 1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.445 18.314 -0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.389 17.595 1.391 1.00 0.00 H new ATOM 150 N ARG A 10 -2.368 12.005 1.136 1.00 0.00 N ATOM 151 CA ARG A 10 -2.536 10.637 1.739 1.00 0.00 C ATOM 152 C ARG A 10 -1.418 9.673 1.274 1.00 0.00 C ATOM 153 O ARG A 10 -1.290 9.416 0.093 1.00 0.00 O ATOM 154 CB ARG A 10 -3.892 10.149 1.228 1.00 0.00 C ATOM 155 CG ARG A 10 -5.012 10.875 1.976 1.00 0.00 C ATOM 156 CD ARG A 10 -6.271 10.005 1.980 1.00 0.00 C ATOM 157 NE ARG A 10 -6.828 10.130 0.604 1.00 0.00 N ATOM 158 CZ ARG A 10 -7.534 9.157 0.095 1.00 0.00 C ATOM 159 NH1 ARG A 10 -6.954 8.037 -0.239 1.00 0.00 N ATOM 160 NH2 ARG A 10 -8.819 9.304 -0.080 1.00 0.00 N ATOM 0 H ARG A 10 -3.226 12.412 0.763 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.481 10.671 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.977 10.334 0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.981 9.073 1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.702 11.089 2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.221 11.833 1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.034 8.968 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.986 10.348 2.728 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.658 10.976 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.950 7.922 -0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.505 7.276 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.272 10.180 0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.370 8.543 -0.478 1.00 0.00 H new ATOM 174 N PRO A 11 -0.635 9.173 2.212 1.00 0.00 N ATOM 175 CA PRO A 11 0.471 8.244 1.854 1.00 0.00 C ATOM 176 C PRO A 11 -0.084 6.883 1.402 1.00 0.00 C ATOM 177 O PRO A 11 -1.272 6.647 1.490 1.00 0.00 O ATOM 178 CB PRO A 11 1.259 8.105 3.157 1.00 0.00 C ATOM 179 CG PRO A 11 0.278 8.420 4.238 1.00 0.00 C ATOM 180 CD PRO A 11 -0.696 9.410 3.665 1.00 0.00 C ATOM 0 HA PRO A 11 1.081 8.608 1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.661 7.098 3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.106 8.790 3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.237 7.518 4.568 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.784 8.835 5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.702 9.250 4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.417 10.434 3.914 1.00 0.00 H new ATOM 188 N PRO A 12 0.795 6.023 0.928 1.00 0.00 N ATOM 189 CA PRO A 12 0.358 4.679 0.465 1.00 0.00 C ATOM 190 C PRO A 12 -0.098 3.830 1.654 1.00 0.00 C ATOM 191 O PRO A 12 -0.335 4.339 2.733 1.00 0.00 O ATOM 192 CB PRO A 12 1.611 4.093 -0.183 1.00 0.00 C ATOM 193 CG PRO A 12 2.749 4.818 0.458 1.00 0.00 C ATOM 194 CD PRO A 12 2.250 6.201 0.778 1.00 0.00 C ATOM 0 HA PRO A 12 -0.487 4.715 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.680 3.019 -0.011 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.605 4.243 -1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.076 4.305 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.608 4.861 -0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.702 6.588 1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.487 6.906 -0.019 1.00 0.00 H new ATOM 202 N SER A 13 -0.226 2.539 1.462 1.00 0.00 N ATOM 203 CA SER A 13 -0.674 1.656 2.582 1.00 0.00 C ATOM 204 C SER A 13 -0.496 0.182 2.220 1.00 0.00 C ATOM 205 O SER A 13 -1.385 -0.620 2.431 1.00 0.00 O ATOM 206 CB SER A 13 -2.155 1.982 2.780 1.00 0.00 C ATOM 207 OG SER A 13 -2.851 1.758 1.561 1.00 0.00 O ATOM 0 H SER A 13 -0.040 2.061 0.580 1.00 0.00 H new ATOM 0 HA SER A 13 -0.091 1.826 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.574 1.360 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.272 3.019 3.094 1.00 0.00 H new ATOM 0 HG SER A 13 -3.801 1.964 1.684 1.00 0.00 H new ATOM 213 N ALA A 14 0.636 -0.181 1.650 1.00 0.00 N ATOM 214 CA ALA A 14 0.889 -1.607 1.238 1.00 0.00 C ATOM 215 C ALA A 14 0.041 -1.949 0.017 1.00 0.00 C ATOM 216 O ALA A 14 0.558 -2.100 -1.075 1.00 0.00 O ATOM 217 CB ALA A 14 0.533 -2.511 2.432 1.00 0.00 C ATOM 0 H ALA A 14 1.405 0.459 1.450 1.00 0.00 H new ATOM 0 HA ALA A 14 1.934 -1.755 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.706 -3.553 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.157 -2.248 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.516 -2.373 2.693 1.00 0.00 H new ATOM 223 N PHE A 15 -1.251 -2.077 0.182 1.00 0.00 N ATOM 224 CA PHE A 15 -2.123 -2.418 -0.989 1.00 0.00 C ATOM 225 C PHE A 15 -2.008 -1.344 -2.078 1.00 0.00 C ATOM 226 O PHE A 15 -2.247 -1.607 -3.241 1.00 0.00 O ATOM 227 CB PHE A 15 -3.552 -2.470 -0.433 1.00 0.00 C ATOM 228 CG PHE A 15 -4.513 -2.848 -1.538 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.307 -4.019 -2.277 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.607 -2.023 -1.827 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.194 -4.365 -3.304 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.495 -2.369 -2.855 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.287 -3.540 -3.593 1.00 0.00 C ATOM 0 H PHE A 15 -1.740 -1.962 1.070 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.832 -3.363 -1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.611 -3.196 0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.826 -1.501 -0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.464 -4.656 -2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.767 -1.119 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.035 -5.269 -3.873 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.339 -1.733 -3.077 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.970 -3.807 -4.386 1.00 0.00 H new ATOM 243 N PHE A 16 -1.652 -0.137 -1.710 1.00 0.00 N ATOM 244 CA PHE A 16 -1.533 0.948 -2.730 1.00 0.00 C ATOM 245 C PHE A 16 -0.296 0.730 -3.597 1.00 0.00 C ATOM 246 O PHE A 16 -0.290 1.064 -4.766 1.00 0.00 O ATOM 247 CB PHE A 16 -1.419 2.250 -1.934 1.00 0.00 C ATOM 248 CG PHE A 16 -1.928 3.398 -2.772 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.161 3.878 -3.841 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.167 3.982 -2.483 1.00 0.00 C ATOM 251 CE1 PHE A 16 -1.633 4.942 -4.619 1.00 0.00 C ATOM 252 CE2 PHE A 16 -3.639 5.046 -3.260 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.871 5.526 -4.328 1.00 0.00 C ATOM 0 H PHE A 16 -1.440 0.141 -0.752 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.389 0.967 -3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.994 2.176 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.381 2.425 -1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.205 3.427 -4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.759 3.611 -1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.042 5.312 -5.444 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.595 5.496 -3.036 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.234 6.348 -4.928 1.00 0.00 H new ATOM 263 N LEU A 17 0.736 0.135 -3.051 1.00 0.00 N ATOM 264 CA LEU A 17 1.950 -0.142 -3.874 1.00 0.00 C ATOM 265 C LEU A 17 1.564 -1.197 -4.905 1.00 0.00 C ATOM 266 O LEU A 17 1.466 -0.913 -6.082 1.00 0.00 O ATOM 267 CB LEU A 17 2.995 -0.671 -2.896 1.00 0.00 C ATOM 268 CG LEU A 17 3.561 0.497 -2.087 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.647 0.786 -0.895 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.955 0.135 -1.581 1.00 0.00 C ATOM 0 H LEU A 17 0.789 -0.168 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 17 2.340 0.729 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.547 -1.408 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.795 -1.176 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 17 3.620 1.382 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.052 1.619 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.651 1.044 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.586 -0.098 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.360 0.966 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.894 -0.750 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.608 -0.070 -2.429 1.00 0.00 H new ATOM 282 N PHE A 18 1.346 -2.415 -4.447 1.00 0.00 N ATOM 283 CA PHE A 18 0.942 -3.552 -5.355 1.00 0.00 C ATOM 284 C PHE A 18 0.007 -3.052 -6.479 1.00 0.00 C ATOM 285 O PHE A 18 0.294 -3.222 -7.649 1.00 0.00 O ATOM 286 CB PHE A 18 0.213 -4.544 -4.434 1.00 0.00 C ATOM 287 CG PHE A 18 -0.320 -5.713 -5.235 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.527 -6.771 -5.585 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.666 -5.737 -5.623 1.00 0.00 C ATOM 290 CE1 PHE A 18 0.029 -7.853 -6.322 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.163 -6.818 -6.361 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.317 -7.876 -6.710 1.00 0.00 C ATOM 0 H PHE A 18 1.432 -2.675 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 18 1.798 -4.007 -5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.895 -4.904 -3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.608 -4.040 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.565 -6.753 -5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.320 -4.921 -5.353 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.683 -8.670 -6.591 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.200 -6.835 -6.661 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.701 -8.710 -7.278 1.00 0.00 H new ATOM 302 N CYS A 19 -1.102 -2.439 -6.134 1.00 0.00 N ATOM 303 CA CYS A 19 -2.031 -1.936 -7.191 1.00 0.00 C ATOM 304 C CYS A 19 -1.345 -0.855 -8.034 1.00 0.00 C ATOM 305 O CYS A 19 -1.453 -0.841 -9.246 1.00 0.00 O ATOM 306 CB CYS A 19 -3.227 -1.348 -6.433 1.00 0.00 C ATOM 307 SG CYS A 19 -4.484 -0.785 -7.610 1.00 0.00 S ATOM 0 H CYS A 19 -1.400 -2.267 -5.174 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.335 -2.727 -7.876 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.651 -2.099 -5.766 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.900 -0.515 -5.810 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.496 -0.290 -6.961 1.00 0.00 H new ATOM 313 N SER A 20 -0.653 0.056 -7.398 1.00 0.00 N ATOM 314 CA SER A 20 0.033 1.152 -8.156 1.00 0.00 C ATOM 315 C SER A 20 0.989 0.579 -9.210 1.00 0.00 C ATOM 316 O SER A 20 1.193 1.174 -10.253 1.00 0.00 O ATOM 317 CB SER A 20 0.812 1.948 -7.109 1.00 0.00 C ATOM 318 OG SER A 20 1.647 2.894 -7.764 1.00 0.00 O ATOM 0 H SER A 20 -0.532 0.090 -6.386 1.00 0.00 H new ATOM 0 HA SER A 20 -0.685 1.773 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.123 2.458 -6.436 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.414 1.276 -6.498 1.00 0.00 H new ATOM 0 HG SER A 20 2.147 3.407 -7.095 1.00 0.00 H new ATOM 324 N GLU A 21 1.587 -0.559 -8.945 1.00 0.00 N ATOM 325 CA GLU A 21 2.538 -1.146 -9.938 1.00 0.00 C ATOM 326 C GLU A 21 1.818 -2.084 -10.917 1.00 0.00 C ATOM 327 O GLU A 21 2.263 -2.266 -12.035 1.00 0.00 O ATOM 328 CB GLU A 21 3.587 -1.904 -9.113 1.00 0.00 C ATOM 329 CG GLU A 21 2.925 -3.020 -8.304 1.00 0.00 C ATOM 330 CD GLU A 21 3.989 -4.021 -7.851 1.00 0.00 C ATOM 331 OE1 GLU A 21 5.097 -3.594 -7.572 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.678 -5.199 -7.788 1.00 0.00 O ATOM 0 H GLU A 21 1.458 -1.102 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 21 2.997 -0.371 -10.552 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.344 -2.326 -9.775 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.099 -1.214 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.412 -2.601 -7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.170 -3.524 -8.908 1.00 0.00 H new ATOM 339 N HIS A 22 0.715 -2.681 -10.522 1.00 0.00 N ATOM 340 CA HIS A 22 -0.013 -3.601 -11.454 1.00 0.00 C ATOM 341 C HIS A 22 -1.212 -2.890 -12.096 1.00 0.00 C ATOM 342 O HIS A 22 -2.115 -3.528 -12.605 1.00 0.00 O ATOM 343 CB HIS A 22 -0.506 -4.749 -10.571 1.00 0.00 C ATOM 344 CG HIS A 22 0.643 -5.651 -10.218 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.295 -6.425 -11.164 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.259 -5.920 -9.023 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.256 -7.120 -10.526 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.276 -6.849 -9.218 1.00 0.00 N ATOM 0 H HIS A 22 0.291 -2.571 -9.601 1.00 0.00 H new ATOM 0 HA HIS A 22 0.629 -3.941 -12.266 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.961 -4.352 -9.663 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.278 -5.315 -11.093 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.995 -5.478 -8.074 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.928 -7.812 -11.012 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.902 -7.239 -8.514 1.00 0.00 H new ATOM 356 N ARG A 23 -1.233 -1.580 -12.075 1.00 0.00 N ATOM 357 CA ARG A 23 -2.375 -0.835 -12.682 1.00 0.00 C ATOM 358 C ARG A 23 -2.181 -0.628 -14.200 1.00 0.00 C ATOM 359 O ARG A 23 -3.116 -0.822 -14.951 1.00 0.00 O ATOM 360 CB ARG A 23 -2.428 0.504 -11.937 1.00 0.00 C ATOM 361 CG ARG A 23 -3.614 1.326 -12.444 1.00 0.00 C ATOM 362 CD ARG A 23 -4.153 2.198 -11.307 1.00 0.00 C ATOM 363 NE ARG A 23 -3.167 3.306 -11.171 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.577 4.513 -10.894 1.00 0.00 C ATOM 365 NH1 ARG A 23 -3.824 4.850 -9.657 1.00 0.00 N ATOM 366 NH2 ARG A 23 -3.738 5.384 -11.851 1.00 0.00 N ATOM 0 H ARG A 23 -0.506 -0.995 -11.662 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.308 -1.389 -12.583 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.524 0.332 -10.865 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.499 1.054 -12.090 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.305 1.952 -13.282 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.398 0.664 -12.812 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.147 2.580 -11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.239 1.630 -10.381 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.172 3.121 -11.294 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.696 4.170 -8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.145 5.794 -9.440 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.543 5.122 -12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.059 6.327 -11.633 1.00 0.00 H new ATOM 380 N PRO A 24 -0.988 -0.245 -14.628 1.00 0.00 N ATOM 381 CA PRO A 24 -0.761 -0.037 -16.081 1.00 0.00 C ATOM 382 C PRO A 24 -0.618 -1.381 -16.814 1.00 0.00 C ATOM 383 O PRO A 24 -0.593 -1.426 -18.030 1.00 0.00 O ATOM 384 CB PRO A 24 0.543 0.751 -16.139 1.00 0.00 C ATOM 385 CG PRO A 24 1.266 0.413 -14.875 1.00 0.00 C ATOM 386 CD PRO A 24 0.233 0.026 -13.846 1.00 0.00 C ATOM 0 HA PRO A 24 -1.590 0.481 -16.564 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.131 0.474 -17.014 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.352 1.822 -16.209 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.965 -0.406 -15.042 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.850 1.266 -14.529 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.545 -0.853 -13.282 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.072 0.827 -13.125 1.00 0.00 H new ATOM 394 N LYS A 25 -0.528 -2.474 -16.090 1.00 0.00 N ATOM 395 CA LYS A 25 -0.394 -3.805 -16.753 1.00 0.00 C ATOM 396 C LYS A 25 -1.776 -4.331 -17.147 1.00 0.00 C ATOM 397 O LYS A 25 -1.941 -4.956 -18.178 1.00 0.00 O ATOM 398 CB LYS A 25 0.245 -4.712 -15.700 1.00 0.00 C ATOM 399 CG LYS A 25 0.559 -6.075 -16.321 1.00 0.00 C ATOM 400 CD LYS A 25 1.255 -6.959 -15.285 1.00 0.00 C ATOM 401 CE LYS A 25 1.629 -8.298 -15.924 1.00 0.00 C ATOM 402 NZ LYS A 25 0.363 -9.083 -15.941 1.00 0.00 N ATOM 0 H LYS A 25 -0.542 -2.498 -15.070 1.00 0.00 H new ATOM 0 HA LYS A 25 0.204 -3.758 -17.663 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.158 -4.256 -15.318 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.429 -4.834 -14.852 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.360 -6.551 -16.663 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.197 -5.950 -17.196 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.149 -6.461 -14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.598 -7.123 -14.431 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.021 -8.159 -16.932 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.402 -8.808 -15.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.460 -9.912 -15.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.420 -8.487 -15.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.163 -9.399 -16.912 1.00 0.00 H new ATOM 416 N ILE A 26 -2.768 -4.071 -16.334 1.00 0.00 N ATOM 417 CA ILE A 26 -4.150 -4.545 -16.654 1.00 0.00 C ATOM 418 C ILE A 26 -4.754 -3.712 -17.794 1.00 0.00 C ATOM 419 O ILE A 26 -5.725 -4.110 -18.406 1.00 0.00 O ATOM 420 CB ILE A 26 -4.955 -4.351 -15.359 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.323 -5.167 -14.220 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.402 -4.809 -15.571 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.288 -6.659 -14.584 1.00 0.00 C ATOM 0 H ILE A 26 -2.681 -3.550 -15.461 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.157 -5.584 -16.985 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.945 -3.294 -15.094 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.312 -4.810 -14.026 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.893 -5.024 -13.302 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.967 -4.669 -14.649 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.857 -4.221 -16.368 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.413 -5.864 -15.846 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.838 -7.222 -13.767 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.304 -7.016 -14.754 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.698 -6.799 -15.490 1.00 0.00 H new ATOM 435 N LYS A 27 -4.187 -2.566 -18.088 1.00 0.00 N ATOM 436 CA LYS A 27 -4.733 -1.717 -19.192 1.00 0.00 C ATOM 437 C LYS A 27 -4.306 -2.263 -20.560 1.00 0.00 C ATOM 438 O LYS A 27 -4.904 -1.947 -21.571 1.00 0.00 O ATOM 439 CB LYS A 27 -4.139 -0.327 -18.955 1.00 0.00 C ATOM 440 CG LYS A 27 -4.923 0.376 -17.844 1.00 0.00 C ATOM 441 CD LYS A 27 -4.587 1.868 -17.846 1.00 0.00 C ATOM 442 CE LYS A 27 -5.665 2.634 -17.076 1.00 0.00 C ATOM 443 NZ LYS A 27 -5.390 4.071 -17.356 1.00 0.00 N ATOM 0 H LYS A 27 -3.371 -2.183 -17.611 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.823 -1.701 -19.193 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.088 -0.411 -18.677 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.181 0.260 -19.872 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.993 0.233 -17.994 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.675 -0.062 -16.877 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.612 2.033 -17.388 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.525 2.236 -18.870 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.664 2.351 -17.408 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.613 2.423 -16.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.089 4.661 -16.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.435 4.313 -17.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.454 4.244 -18.380 1.00 0.00 H new ATOM 457 N SER A 28 -3.280 -3.080 -20.602 1.00 0.00 N ATOM 458 CA SER A 28 -2.819 -3.645 -21.908 1.00 0.00 C ATOM 459 C SER A 28 -3.748 -4.780 -22.351 1.00 0.00 C ATOM 460 O SER A 28 -3.950 -5.001 -23.531 1.00 0.00 O ATOM 461 CB SER A 28 -1.411 -4.179 -21.640 1.00 0.00 C ATOM 462 OG SER A 28 -0.825 -4.590 -22.867 1.00 0.00 O ATOM 0 H SER A 28 -2.743 -3.379 -19.788 1.00 0.00 H new ATOM 0 HA SER A 28 -2.825 -2.899 -22.703 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.800 -3.407 -21.172 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.453 -5.017 -20.945 1.00 0.00 H new ATOM 0 HG SER A 28 0.078 -4.932 -22.700 1.00 0.00 H new ATOM 468 N GLU A 29 -4.312 -5.497 -21.413 1.00 0.00 N ATOM 469 CA GLU A 29 -5.230 -6.621 -21.771 1.00 0.00 C ATOM 470 C GLU A 29 -6.699 -6.245 -21.508 1.00 0.00 C ATOM 471 O GLU A 29 -7.590 -7.049 -21.711 1.00 0.00 O ATOM 472 CB GLU A 29 -4.806 -7.778 -20.866 1.00 0.00 C ATOM 473 CG GLU A 29 -3.542 -8.430 -21.428 1.00 0.00 C ATOM 474 CD GLU A 29 -3.394 -9.839 -20.852 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.178 -9.949 -19.655 1.00 0.00 O ATOM 476 OE2 GLU A 29 -3.497 -10.785 -21.615 1.00 0.00 O ATOM 0 H GLU A 29 -4.176 -5.352 -20.412 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.163 -6.874 -22.829 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.621 -7.414 -19.855 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.608 -8.513 -20.798 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.596 -8.474 -22.516 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.668 -7.829 -21.177 1.00 0.00 H new ATOM 483 N HIS A 30 -6.960 -5.036 -21.066 1.00 0.00 N ATOM 484 CA HIS A 30 -8.371 -4.619 -20.802 1.00 0.00 C ATOM 485 C HIS A 30 -8.544 -3.124 -21.111 1.00 0.00 C ATOM 486 O HIS A 30 -8.496 -2.304 -20.215 1.00 0.00 O ATOM 487 CB HIS A 30 -8.613 -4.888 -19.315 1.00 0.00 C ATOM 488 CG HIS A 30 -8.446 -6.354 -19.026 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.517 -7.233 -19.013 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.338 -7.107 -18.731 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.035 -8.454 -18.717 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.712 -8.434 -18.535 1.00 0.00 N ATOM 0 H HIS A 30 -6.256 -4.322 -20.878 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.079 -5.164 -21.426 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.914 -4.308 -18.713 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.616 -4.566 -19.037 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.329 -6.728 -18.661 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.644 -9.342 -18.636 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.106 -9.221 -18.303 1.00 0.00 H new ATOM 500 N PRO A 31 -8.743 -2.809 -22.371 1.00 0.00 N ATOM 501 CA PRO A 31 -8.926 -1.391 -22.770 1.00 0.00 C ATOM 502 C PRO A 31 -10.253 -0.855 -22.228 1.00 0.00 C ATOM 503 O PRO A 31 -11.312 -1.162 -22.741 1.00 0.00 O ATOM 504 CB PRO A 31 -8.937 -1.444 -24.298 1.00 0.00 C ATOM 505 CG PRO A 31 -9.365 -2.839 -24.625 1.00 0.00 C ATOM 506 CD PRO A 31 -8.822 -3.715 -23.529 1.00 0.00 C ATOM 0 HA PRO A 31 -8.151 -0.731 -22.381 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.627 -0.710 -24.715 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.952 -1.225 -24.709 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.451 -2.910 -24.677 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.978 -3.147 -25.596 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.478 -4.563 -23.331 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.844 -4.122 -23.788 1.00 0.00 H new ATOM 514 N GLY A 32 -10.199 -0.062 -21.187 1.00 0.00 N ATOM 515 CA GLY A 32 -11.452 0.493 -20.596 1.00 0.00 C ATOM 516 C GLY A 32 -11.620 -0.003 -19.152 1.00 0.00 C ATOM 517 O GLY A 32 -12.402 0.540 -18.398 1.00 0.00 O ATOM 0 H GLY A 32 -9.338 0.225 -20.721 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.420 1.582 -20.613 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.311 0.190 -21.195 1.00 0.00 H new ATOM 521 N LEU A 33 -10.907 -1.045 -18.770 1.00 0.00 N ATOM 522 CA LEU A 33 -11.025 -1.609 -17.379 1.00 0.00 C ATOM 523 C LEU A 33 -11.063 -0.508 -16.307 1.00 0.00 C ATOM 524 O LEU A 33 -10.217 0.365 -16.257 1.00 0.00 O ATOM 525 CB LEU A 33 -9.774 -2.482 -17.206 1.00 0.00 C ATOM 526 CG LEU A 33 -10.093 -3.720 -16.353 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.550 -3.283 -14.961 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.198 -4.553 -17.017 1.00 0.00 C ATOM 0 H LEU A 33 -10.242 -1.533 -19.370 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.953 -2.167 -17.257 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.402 -2.792 -18.183 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.982 -1.902 -16.733 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.193 -4.329 -16.267 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.775 -4.163 -14.359 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.757 -2.709 -14.481 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.444 -2.665 -15.049 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.414 -5.427 -16.402 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.099 -3.948 -17.117 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.867 -4.877 -18.004 1.00 0.00 H new ATOM 540 N SER A 34 -12.063 -0.550 -15.466 1.00 0.00 N ATOM 541 CA SER A 34 -12.209 0.480 -14.398 1.00 0.00 C ATOM 542 C SER A 34 -11.745 -0.060 -13.044 1.00 0.00 C ATOM 543 O SER A 34 -11.165 -1.125 -12.952 1.00 0.00 O ATOM 544 CB SER A 34 -13.704 0.770 -14.355 1.00 0.00 C ATOM 545 OG SER A 34 -14.418 -0.458 -14.347 1.00 0.00 O ATOM 0 H SER A 34 -12.793 -1.263 -15.475 1.00 0.00 H new ATOM 0 HA SER A 34 -11.607 1.366 -14.602 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.948 1.352 -13.466 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.996 1.368 -15.218 1.00 0.00 H new ATOM 0 HG SER A 34 -15.381 -0.277 -14.318 1.00 0.00 H new ATOM 551 N ILE A 35 -12.014 0.672 -11.992 1.00 0.00 N ATOM 552 CA ILE A 35 -11.611 0.218 -10.628 1.00 0.00 C ATOM 553 C ILE A 35 -12.604 -0.831 -10.094 1.00 0.00 C ATOM 554 O ILE A 35 -12.417 -1.372 -9.019 1.00 0.00 O ATOM 555 CB ILE A 35 -11.640 1.481 -9.757 1.00 0.00 C ATOM 556 CG1 ILE A 35 -10.679 2.536 -10.333 1.00 0.00 C ATOM 557 CG2 ILE A 35 -11.223 1.134 -8.324 1.00 0.00 C ATOM 558 CD1 ILE A 35 -9.245 1.992 -10.368 1.00 0.00 C ATOM 0 H ILE A 35 -12.498 1.569 -12.021 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.627 -0.252 -10.629 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.653 1.884 -9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.994 2.813 -11.339 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.717 3.441 -9.726 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.245 2.035 -7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.913 0.397 -7.913 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.213 0.723 -8.328 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.578 2.750 -10.778 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.927 1.738 -9.357 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.209 1.101 -10.994 1.00 0.00 H new ATOM 570 N GLY A 36 -13.651 -1.132 -10.834 1.00 0.00 N ATOM 571 CA GLY A 36 -14.637 -2.150 -10.366 1.00 0.00 C ATOM 572 C GLY A 36 -14.262 -3.535 -10.912 1.00 0.00 C ATOM 573 O GLY A 36 -15.078 -4.437 -10.945 1.00 0.00 O ATOM 0 H GLY A 36 -13.860 -0.714 -11.740 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.658 -2.173 -9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.639 -1.878 -10.699 1.00 0.00 H new ATOM 577 N ASP A 37 -13.030 -3.712 -11.332 1.00 0.00 N ATOM 578 CA ASP A 37 -12.596 -5.036 -11.866 1.00 0.00 C ATOM 579 C ASP A 37 -11.119 -5.265 -11.536 1.00 0.00 C ATOM 580 O ASP A 37 -10.757 -6.256 -10.931 1.00 0.00 O ATOM 581 CB ASP A 37 -12.802 -4.945 -13.377 1.00 0.00 C ATOM 582 CG ASP A 37 -14.242 -5.329 -13.720 1.00 0.00 C ATOM 583 OD1 ASP A 37 -14.593 -6.480 -13.516 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.971 -4.466 -14.183 1.00 0.00 O ATOM 0 H ASP A 37 -12.308 -2.992 -11.326 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.157 -5.865 -11.434 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.592 -3.933 -13.723 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.106 -5.608 -13.890 1.00 0.00 H new ATOM 589 N THR A 38 -10.267 -4.351 -11.929 1.00 0.00 N ATOM 590 CA THR A 38 -8.807 -4.506 -11.642 1.00 0.00 C ATOM 591 C THR A 38 -8.573 -4.453 -10.124 1.00 0.00 C ATOM 592 O THR A 38 -7.743 -5.166 -9.598 1.00 0.00 O ATOM 593 CB THR A 38 -8.133 -3.324 -12.374 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.112 -3.599 -13.766 1.00 0.00 O ATOM 595 CG2 THR A 38 -6.690 -3.122 -11.890 1.00 0.00 C ATOM 0 H THR A 38 -10.520 -3.503 -12.437 1.00 0.00 H new ATOM 0 HA THR A 38 -8.399 -5.458 -11.982 1.00 0.00 H new ATOM 0 HB THR A 38 -8.701 -2.418 -12.164 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.761 -2.821 -14.248 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.242 -2.284 -12.423 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.691 -2.913 -10.820 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.112 -4.026 -12.083 1.00 0.00 H new ATOM 603 N ALA A 39 -9.305 -3.623 -9.425 1.00 0.00 N ATOM 604 CA ALA A 39 -9.130 -3.529 -7.941 1.00 0.00 C ATOM 605 C ALA A 39 -9.637 -4.811 -7.277 1.00 0.00 C ATOM 606 O ALA A 39 -9.160 -5.208 -6.231 1.00 0.00 O ATOM 607 CB ALA A 39 -9.975 -2.330 -7.508 1.00 0.00 C ATOM 0 H ALA A 39 -10.017 -3.006 -9.816 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.085 -3.407 -7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.895 -2.199 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.616 -1.431 -8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.017 -2.503 -7.777 1.00 0.00 H new ATOM 613 N LYS A 40 -10.587 -5.467 -7.894 1.00 0.00 N ATOM 614 CA LYS A 40 -11.116 -6.736 -7.320 1.00 0.00 C ATOM 615 C LYS A 40 -10.133 -7.859 -7.636 1.00 0.00 C ATOM 616 O LYS A 40 -9.884 -8.732 -6.826 1.00 0.00 O ATOM 617 CB LYS A 40 -12.456 -6.968 -8.022 1.00 0.00 C ATOM 618 CG LYS A 40 -13.494 -5.972 -7.490 1.00 0.00 C ATOM 619 CD LYS A 40 -14.853 -6.663 -7.361 1.00 0.00 C ATOM 620 CE LYS A 40 -15.723 -5.898 -6.361 1.00 0.00 C ATOM 621 NZ LYS A 40 -16.448 -6.949 -5.597 1.00 0.00 N ATOM 0 H LYS A 40 -11.018 -5.176 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.243 -6.699 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.340 -6.847 -9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.796 -7.989 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.178 -5.586 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.572 -5.118 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.346 -6.703 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.719 -7.693 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.115 -5.279 -5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.418 -5.231 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.066 -6.501 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.024 -7.518 -6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.761 -7.564 -5.116 1.00 0.00 H new ATOM 635 N LYS A 41 -9.562 -7.823 -8.811 1.00 0.00 N ATOM 636 CA LYS A 41 -8.570 -8.870 -9.198 1.00 0.00 C ATOM 637 C LYS A 41 -7.284 -8.666 -8.397 1.00 0.00 C ATOM 638 O LYS A 41 -6.799 -9.565 -7.738 1.00 0.00 O ATOM 639 CB LYS A 41 -8.316 -8.656 -10.691 1.00 0.00 C ATOM 640 CG LYS A 41 -7.652 -9.902 -11.280 1.00 0.00 C ATOM 641 CD LYS A 41 -7.431 -9.703 -12.780 1.00 0.00 C ATOM 642 CE LYS A 41 -8.721 -10.028 -13.536 1.00 0.00 C ATOM 643 NZ LYS A 41 -8.462 -9.607 -14.940 1.00 0.00 N ATOM 0 H LYS A 41 -9.740 -7.113 -9.521 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.926 -9.881 -8.998 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.256 -8.454 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.677 -7.785 -10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.700 -10.089 -10.783 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.279 -10.777 -11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.129 -8.675 -12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.622 -10.346 -13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.954 -11.091 -13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.571 -9.492 -13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.303 -9.799 -15.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.250 -8.589 -14.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.652 -10.138 -15.318 1.00 0.00 H new ATOM 657 N LEU A 42 -6.727 -7.481 -8.454 1.00 0.00 N ATOM 658 CA LEU A 42 -5.461 -7.186 -7.703 1.00 0.00 C ATOM 659 C LEU A 42 -5.578 -7.602 -6.233 1.00 0.00 C ATOM 660 O LEU A 42 -4.795 -8.391 -5.743 1.00 0.00 O ATOM 661 CB LEU A 42 -5.292 -5.670 -7.800 1.00 0.00 C ATOM 662 CG LEU A 42 -4.341 -5.321 -8.947 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.909 -5.814 -10.280 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.183 -3.807 -9.003 1.00 0.00 C ATOM 0 H LEU A 42 -7.096 -6.697 -8.992 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.615 -7.734 -8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.261 -5.198 -7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.901 -5.279 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.378 -5.802 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.221 -5.558 -11.086 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.038 -6.896 -10.243 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.873 -5.340 -10.462 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.507 -3.542 -9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.156 -3.346 -9.174 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.773 -3.449 -8.059 1.00 0.00 H new ATOM 676 N GLY A 43 -6.551 -7.074 -5.526 1.00 0.00 N ATOM 677 CA GLY A 43 -6.724 -7.432 -4.081 1.00 0.00 C ATOM 678 C GLY A 43 -6.764 -8.955 -3.924 1.00 0.00 C ATOM 679 O GLY A 43 -6.343 -9.497 -2.919 1.00 0.00 O ATOM 0 H GLY A 43 -7.234 -6.409 -5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.904 -7.018 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.645 -6.993 -3.696 1.00 0.00 H new ATOM 683 N GLU A 44 -7.243 -9.646 -4.928 1.00 0.00 N ATOM 684 CA GLU A 44 -7.282 -11.136 -4.859 1.00 0.00 C ATOM 685 C GLU A 44 -5.853 -11.663 -4.970 1.00 0.00 C ATOM 686 O GLU A 44 -5.486 -12.634 -4.334 1.00 0.00 O ATOM 687 CB GLU A 44 -8.119 -11.581 -6.060 1.00 0.00 C ATOM 688 CG GLU A 44 -8.600 -13.017 -5.843 1.00 0.00 C ATOM 689 CD GLU A 44 -9.723 -13.029 -4.803 1.00 0.00 C ATOM 690 OE1 GLU A 44 -9.413 -12.963 -3.625 1.00 0.00 O ATOM 691 OE2 GLU A 44 -10.873 -13.104 -5.203 1.00 0.00 O ATOM 0 H GLU A 44 -7.608 -9.242 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.709 -11.509 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.973 -10.916 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.526 -11.519 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.956 -13.438 -6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.772 -13.642 -5.507 1.00 0.00 H new ATOM 698 N MET A 45 -5.042 -11.012 -5.767 1.00 0.00 N ATOM 699 CA MET A 45 -3.624 -11.447 -5.922 1.00 0.00 C ATOM 700 C MET A 45 -2.793 -10.904 -4.758 1.00 0.00 C ATOM 701 O MET A 45 -1.984 -11.606 -4.188 1.00 0.00 O ATOM 702 CB MET A 45 -3.160 -10.838 -7.247 1.00 0.00 C ATOM 703 CG MET A 45 -3.673 -11.689 -8.410 1.00 0.00 C ATOM 704 SD MET A 45 -3.125 -10.965 -9.975 1.00 0.00 S ATOM 705 CE MET A 45 -4.270 -11.860 -11.053 1.00 0.00 C ATOM 0 H MET A 45 -5.305 -10.195 -6.318 1.00 0.00 H new ATOM 0 HA MET A 45 -3.516 -12.532 -5.921 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.530 -9.817 -7.339 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.072 -10.786 -7.274 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.301 -12.710 -8.319 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.761 -11.742 -8.383 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.350 -11.342 -12.009 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.899 -12.871 -11.219 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.252 -11.907 -10.582 1.00 0.00 H new ATOM 715 N TRP A 46 -3.009 -9.662 -4.384 1.00 0.00 N ATOM 716 CA TRP A 46 -2.252 -9.056 -3.233 1.00 0.00 C ATOM 717 C TRP A 46 -2.334 -9.978 -2.008 1.00 0.00 C ATOM 718 O TRP A 46 -1.335 -10.298 -1.393 1.00 0.00 O ATOM 719 CB TRP A 46 -2.947 -7.706 -2.973 1.00 0.00 C ATOM 720 CG TRP A 46 -2.393 -7.064 -1.740 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.113 -6.697 -0.656 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.014 -6.717 -1.455 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.257 -6.141 0.279 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.951 -6.131 -0.170 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.176 -6.852 -2.184 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.257 -5.695 0.371 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.393 -6.414 -1.644 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.433 -5.837 -0.370 1.00 0.00 C ATOM 0 H TRP A 46 -3.681 -9.037 -4.829 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.191 -8.922 -3.445 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.806 -7.046 -3.829 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.021 -7.858 -2.861 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.180 -6.818 -0.539 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.554 -5.783 1.187 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.155 -7.296 -3.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.284 -5.251 1.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.304 -6.522 -2.214 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.374 -5.501 0.041 1.00 0.00 H new ATOM 739 N SER A 47 -3.520 -10.416 -1.664 1.00 0.00 N ATOM 740 CA SER A 47 -3.674 -11.333 -0.493 1.00 0.00 C ATOM 741 C SER A 47 -2.977 -12.676 -0.766 1.00 0.00 C ATOM 742 O SER A 47 -2.812 -13.485 0.127 1.00 0.00 O ATOM 743 CB SER A 47 -5.182 -11.539 -0.337 1.00 0.00 C ATOM 744 OG SER A 47 -5.461 -11.983 0.984 1.00 0.00 O ATOM 0 H SER A 47 -4.388 -10.178 -2.144 1.00 0.00 H new ATOM 0 HA SER A 47 -3.223 -10.918 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.711 -10.608 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.538 -12.271 -1.062 1.00 0.00 H new ATOM 0 HG SER A 47 -6.427 -12.114 1.088 1.00 0.00 H new ATOM 750 N GLU A 48 -2.553 -12.914 -1.988 1.00 0.00 N ATOM 751 CA GLU A 48 -1.857 -14.186 -2.316 1.00 0.00 C ATOM 752 C GLU A 48 -0.362 -13.936 -2.519 1.00 0.00 C ATOM 753 O GLU A 48 0.417 -14.870 -2.567 1.00 0.00 O ATOM 754 CB GLU A 48 -2.506 -14.656 -3.617 1.00 0.00 C ATOM 755 CG GLU A 48 -3.769 -15.457 -3.299 1.00 0.00 C ATOM 756 CD GLU A 48 -3.380 -16.825 -2.741 1.00 0.00 C ATOM 757 OE1 GLU A 48 -2.860 -17.627 -3.498 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.610 -17.050 -1.563 1.00 0.00 O ATOM 0 H GLU A 48 -2.664 -12.271 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.945 -14.927 -1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.755 -13.798 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.806 -15.271 -4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.381 -14.918 -2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.372 -15.578 -4.199 1.00 0.00 H new ATOM 765 N GLN A 49 0.059 -12.692 -2.628 1.00 0.00 N ATOM 766 CA GLN A 49 1.515 -12.415 -2.814 1.00 0.00 C ATOM 767 C GLN A 49 2.296 -12.956 -1.618 1.00 0.00 C ATOM 768 O GLN A 49 1.839 -12.903 -0.492 1.00 0.00 O ATOM 769 CB GLN A 49 1.650 -10.884 -2.876 1.00 0.00 C ATOM 770 CG GLN A 49 0.978 -10.332 -4.138 1.00 0.00 C ATOM 771 CD GLN A 49 1.610 -10.949 -5.389 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.808 -11.145 -5.447 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.846 -11.265 -6.399 1.00 0.00 N ATOM 0 H GLN A 49 -0.541 -11.868 -2.596 1.00 0.00 H new ATOM 0 HA GLN A 49 1.905 -12.888 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.196 -10.438 -1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.704 -10.606 -2.868 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.089 -10.551 -4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.080 -9.247 -4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.159 -11.100 -6.349 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.254 -11.677 -7.238 1.00 0.00 H new ATOM 782 N SER A 50 3.474 -13.451 -1.856 1.00 0.00 N ATOM 783 CA SER A 50 4.311 -13.973 -0.739 1.00 0.00 C ATOM 784 C SER A 50 5.199 -12.838 -0.217 1.00 0.00 C ATOM 785 O SER A 50 4.831 -11.681 -0.294 1.00 0.00 O ATOM 786 CB SER A 50 5.148 -15.092 -1.360 1.00 0.00 C ATOM 787 OG SER A 50 6.101 -14.527 -2.251 1.00 0.00 O ATOM 0 H SER A 50 3.898 -13.518 -2.781 1.00 0.00 H new ATOM 0 HA SER A 50 3.727 -14.344 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.655 -15.659 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.504 -15.790 -1.894 1.00 0.00 H new ATOM 0 HG SER A 50 6.640 -15.242 -2.649 1.00 0.00 H new ATOM 793 N ALA A 51 6.359 -13.149 0.303 1.00 0.00 N ATOM 794 CA ALA A 51 7.256 -12.070 0.815 1.00 0.00 C ATOM 795 C ALA A 51 7.981 -11.367 -0.345 1.00 0.00 C ATOM 796 O ALA A 51 8.707 -10.414 -0.135 1.00 0.00 O ATOM 797 CB ALA A 51 8.260 -12.782 1.723 1.00 0.00 C ATOM 0 H ALA A 51 6.722 -14.098 0.395 1.00 0.00 H new ATOM 0 HA ALA A 51 6.699 -11.298 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.955 -12.053 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.728 -13.279 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.813 -13.522 1.144 1.00 0.00 H new ATOM 803 N LYS A 52 7.791 -11.817 -1.566 1.00 0.00 N ATOM 804 CA LYS A 52 8.471 -11.157 -2.723 1.00 0.00 C ATOM 805 C LYS A 52 7.697 -9.900 -3.130 1.00 0.00 C ATOM 806 O LYS A 52 8.274 -8.863 -3.397 1.00 0.00 O ATOM 807 CB LYS A 52 8.444 -12.193 -3.847 1.00 0.00 C ATOM 808 CG LYS A 52 9.495 -11.833 -4.900 1.00 0.00 C ATOM 809 CD LYS A 52 9.376 -12.790 -6.087 1.00 0.00 C ATOM 810 CE LYS A 52 10.055 -12.173 -7.312 1.00 0.00 C ATOM 811 NZ LYS A 52 9.910 -13.193 -8.387 1.00 0.00 N ATOM 0 H LYS A 52 7.196 -12.610 -1.807 1.00 0.00 H new ATOM 0 HA LYS A 52 9.489 -10.847 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.642 -13.186 -3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.454 -12.225 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.354 -10.805 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.494 -11.895 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.840 -13.746 -5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.326 -12.990 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.582 -11.232 -7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.104 -11.955 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.352 -12.842 -9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.376 -14.075 -8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.901 -13.375 -8.559 1.00 0.00 H new ATOM 825 N ASP A 53 6.392 -9.990 -3.167 1.00 0.00 N ATOM 826 CA ASP A 53 5.560 -8.809 -3.545 1.00 0.00 C ATOM 827 C ASP A 53 4.589 -8.480 -2.407 1.00 0.00 C ATOM 828 O ASP A 53 3.386 -8.446 -2.588 1.00 0.00 O ATOM 829 CB ASP A 53 4.796 -9.242 -4.796 1.00 0.00 C ATOM 830 CG ASP A 53 5.440 -8.619 -6.037 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.534 -9.034 -6.384 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.828 -7.739 -6.620 1.00 0.00 O ATOM 0 H ASP A 53 5.865 -10.836 -2.950 1.00 0.00 H new ATOM 0 HA ASP A 53 6.159 -7.917 -3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.801 -10.329 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.753 -8.933 -4.722 1.00 0.00 H new ATOM 837 N LYS A 54 5.114 -8.246 -1.234 1.00 0.00 N ATOM 838 CA LYS A 54 4.243 -7.922 -0.070 1.00 0.00 C ATOM 839 C LYS A 54 5.069 -7.457 1.135 1.00 0.00 C ATOM 840 O LYS A 54 4.633 -6.620 1.904 1.00 0.00 O ATOM 841 CB LYS A 54 3.527 -9.233 0.242 1.00 0.00 C ATOM 842 CG LYS A 54 2.067 -8.945 0.599 1.00 0.00 C ATOM 843 CD LYS A 54 1.452 -10.148 1.313 1.00 0.00 C ATOM 844 CE LYS A 54 2.157 -10.368 2.654 1.00 0.00 C ATOM 845 NZ LYS A 54 1.125 -10.982 3.534 1.00 0.00 N ATOM 0 H LYS A 54 6.114 -8.266 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 54 3.553 -7.107 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.577 -9.901 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.021 -9.742 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.008 -8.064 1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.501 -8.721 -0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.387 -9.982 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.545 -11.039 0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.021 -11.023 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.520 -9.427 3.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.533 -11.163 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.317 -10.333 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.803 -11.879 3.118 1.00 0.00 H new ATOM 859 N GLN A 55 6.253 -7.989 1.306 1.00 0.00 N ATOM 860 CA GLN A 55 7.103 -7.571 2.465 1.00 0.00 C ATOM 861 C GLN A 55 7.636 -6.144 2.257 1.00 0.00 C ATOM 862 O GLN A 55 7.434 -5.292 3.099 1.00 0.00 O ATOM 863 CB GLN A 55 8.257 -8.574 2.508 1.00 0.00 C ATOM 864 CG GLN A 55 7.914 -9.708 3.476 1.00 0.00 C ATOM 865 CD GLN A 55 7.844 -9.159 4.902 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.858 -8.965 5.541 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.680 -8.897 5.430 1.00 0.00 N ATOM 0 H GLN A 55 6.668 -8.693 0.696 1.00 0.00 H new ATOM 0 HA GLN A 55 6.539 -7.564 3.398 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.441 -8.976 1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.173 -8.076 2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.960 -10.159 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.667 -10.493 3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.828 -9.060 4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.622 -8.529 6.380 1.00 0.00 H new ATOM 876 N PRO A 56 8.305 -5.912 1.145 1.00 0.00 N ATOM 877 CA PRO A 56 8.850 -4.558 0.871 1.00 0.00 C ATOM 878 C PRO A 56 7.729 -3.569 0.508 1.00 0.00 C ATOM 879 O PRO A 56 7.968 -2.384 0.367 1.00 0.00 O ATOM 880 CB PRO A 56 9.778 -4.776 -0.320 1.00 0.00 C ATOM 881 CG PRO A 56 9.254 -5.996 -1.003 1.00 0.00 C ATOM 882 CD PRO A 56 8.617 -6.856 0.056 1.00 0.00 C ATOM 0 HA PRO A 56 9.357 -4.130 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.770 -3.915 -0.989 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.809 -4.918 0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.527 -5.726 -1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.060 -6.534 -1.503 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.718 -7.347 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.293 -7.642 0.391 1.00 0.00 H new ATOM 890 N TYR A 57 6.513 -4.041 0.350 1.00 0.00 N ATOM 891 CA TYR A 57 5.392 -3.124 -0.012 1.00 0.00 C ATOM 892 C TYR A 57 4.755 -2.522 1.246 1.00 0.00 C ATOM 893 O TYR A 57 4.403 -1.358 1.273 1.00 0.00 O ATOM 894 CB TYR A 57 4.387 -4.009 -0.749 1.00 0.00 C ATOM 895 CG TYR A 57 4.898 -4.303 -2.139 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.021 -5.121 -2.313 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.249 -3.758 -3.252 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.495 -5.392 -3.602 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.723 -4.029 -4.541 1.00 0.00 C ATOM 900 CZ TYR A 57 5.846 -4.846 -4.716 1.00 0.00 C ATOM 901 OH TYR A 57 6.314 -5.115 -5.987 1.00 0.00 O ATOM 0 H TYR A 57 6.252 -5.021 0.457 1.00 0.00 H new ATOM 0 HA TYR A 57 5.729 -2.285 -0.621 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.236 -4.939 -0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.419 -3.510 -0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.521 -5.542 -1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.382 -3.128 -3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.361 -6.022 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.222 -3.608 -5.400 1.00 0.00 H new ATOM 0 HH TYR A 57 6.171 -4.333 -6.561 1.00 0.00 H new ATOM 911 N GLU A 58 4.602 -3.305 2.285 1.00 0.00 N ATOM 912 CA GLU A 58 3.984 -2.777 3.539 1.00 0.00 C ATOM 913 C GLU A 58 5.013 -1.991 4.362 1.00 0.00 C ATOM 914 O GLU A 58 4.658 -1.152 5.167 1.00 0.00 O ATOM 915 CB GLU A 58 3.500 -4.015 4.305 1.00 0.00 C ATOM 916 CG GLU A 58 4.687 -4.934 4.631 1.00 0.00 C ATOM 917 CD GLU A 58 4.992 -4.878 6.131 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.755 -4.014 6.528 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.456 -5.700 6.855 1.00 0.00 O ATOM 0 H GLU A 58 4.878 -4.286 2.318 1.00 0.00 H new ATOM 0 HA GLU A 58 3.166 -2.088 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.003 -3.711 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.765 -4.556 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.458 -5.958 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.564 -4.627 4.061 1.00 0.00 H new ATOM 926 N GLN A 59 6.282 -2.253 4.163 1.00 0.00 N ATOM 927 CA GLN A 59 7.332 -1.516 4.933 1.00 0.00 C ATOM 928 C GLN A 59 7.484 -0.095 4.387 1.00 0.00 C ATOM 929 O GLN A 59 7.148 0.871 5.044 1.00 0.00 O ATOM 930 CB GLN A 59 8.621 -2.314 4.723 1.00 0.00 C ATOM 931 CG GLN A 59 8.567 -3.598 5.553 1.00 0.00 C ATOM 932 CD GLN A 59 9.840 -4.413 5.317 1.00 0.00 C ATOM 933 OE1 GLN A 59 10.934 -3.925 5.519 1.00 0.00 O ATOM 934 NE2 GLN A 59 9.742 -5.644 4.894 1.00 0.00 N ATOM 0 H GLN A 59 6.636 -2.944 3.502 1.00 0.00 H new ATOM 0 HA GLN A 59 7.081 -1.427 5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.744 -2.556 3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.484 -1.715 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.469 -3.356 6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.691 -4.185 5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.823 -6.053 4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.584 -6.197 4.733 1.00 0.00 H new ATOM 943 N LYS A 60 8.004 0.039 3.189 1.00 0.00 N ATOM 944 CA LYS A 60 8.206 1.397 2.576 1.00 0.00 C ATOM 945 C LYS A 60 6.961 2.289 2.718 1.00 0.00 C ATOM 946 O LYS A 60 7.065 3.502 2.704 1.00 0.00 O ATOM 947 CB LYS A 60 8.492 1.125 1.098 1.00 0.00 C ATOM 948 CG LYS A 60 8.942 2.420 0.418 1.00 0.00 C ATOM 949 CD LYS A 60 8.593 2.363 -1.070 1.00 0.00 C ATOM 950 CE LYS A 60 8.835 3.734 -1.705 1.00 0.00 C ATOM 951 NZ LYS A 60 10.302 3.788 -1.955 1.00 0.00 N ATOM 0 H LYS A 60 8.301 -0.741 2.602 1.00 0.00 H new ATOM 0 HA LYS A 60 9.014 1.932 3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.265 0.363 1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.598 0.737 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.455 3.276 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.016 2.556 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.201 1.608 -1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.551 2.070 -1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.272 3.845 -2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.518 4.538 -1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.672 4.711 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.774 3.032 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.486 3.659 -2.970 1.00 0.00 H new ATOM 965 N ALA A 61 5.794 1.709 2.867 1.00 0.00 N ATOM 966 CA ALA A 61 4.562 2.538 3.025 1.00 0.00 C ATOM 967 C ALA A 61 4.269 2.748 4.511 1.00 0.00 C ATOM 968 O ALA A 61 3.806 3.795 4.920 1.00 0.00 O ATOM 969 CB ALA A 61 3.445 1.728 2.368 1.00 0.00 C ATOM 0 H ALA A 61 5.644 0.700 2.886 1.00 0.00 H new ATOM 0 HA ALA A 61 4.663 3.524 2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.505 2.275 2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.684 1.564 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.348 0.767 2.873 1.00 0.00 H new ATOM 975 N ALA A 62 4.542 1.754 5.318 1.00 0.00 N ATOM 976 CA ALA A 62 4.288 1.884 6.786 1.00 0.00 C ATOM 977 C ALA A 62 5.273 2.878 7.403 1.00 0.00 C ATOM 978 O ALA A 62 4.957 3.560 8.360 1.00 0.00 O ATOM 979 CB ALA A 62 4.509 0.483 7.361 1.00 0.00 C ATOM 0 H ALA A 62 4.930 0.858 5.024 1.00 0.00 H new ATOM 0 HA ALA A 62 3.285 2.253 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.340 0.501 8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.813 -0.215 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.532 0.164 7.160 1.00 0.00 H new ATOM 985 N LYS A 63 6.461 2.974 6.857 1.00 0.00 N ATOM 986 CA LYS A 63 7.466 3.936 7.401 1.00 0.00 C ATOM 987 C LYS A 63 7.334 5.302 6.710 1.00 0.00 C ATOM 988 O LYS A 63 7.961 6.266 7.109 1.00 0.00 O ATOM 989 CB LYS A 63 8.824 3.306 7.089 1.00 0.00 C ATOM 990 CG LYS A 63 9.924 4.062 7.837 1.00 0.00 C ATOM 991 CD LYS A 63 11.233 3.275 7.754 1.00 0.00 C ATOM 992 CE LYS A 63 12.208 3.789 8.814 1.00 0.00 C ATOM 993 NZ LYS A 63 13.425 2.945 8.659 1.00 0.00 N ATOM 0 H LYS A 63 6.777 2.426 6.057 1.00 0.00 H new ATOM 0 HA LYS A 63 7.330 4.111 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.826 2.256 7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.013 3.337 6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.056 5.054 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.638 4.204 8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.041 2.213 7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.670 3.381 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.437 4.844 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.788 3.696 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.141 3.238 9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.178 1.947 8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.807 3.060 7.698 1.00 0.00 H new ATOM 1007 N LEU A 64 6.514 5.398 5.688 1.00 0.00 N ATOM 1008 CA LEU A 64 6.326 6.700 4.986 1.00 0.00 C ATOM 1009 C LEU A 64 5.004 7.333 5.427 1.00 0.00 C ATOM 1010 O LEU A 64 4.843 8.539 5.402 1.00 0.00 O ATOM 1011 CB LEU A 64 6.284 6.350 3.498 1.00 0.00 C ATOM 1012 CG LEU A 64 7.680 6.509 2.894 1.00 0.00 C ATOM 1013 CD1 LEU A 64 7.673 6.011 1.448 1.00 0.00 C ATOM 1014 CD2 LEU A 64 8.080 7.987 2.920 1.00 0.00 C ATOM 0 H LEU A 64 5.966 4.624 5.312 1.00 0.00 H new ATOM 0 HA LEU A 64 7.119 7.414 5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.933 5.327 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.577 6.999 2.981 1.00 0.00 H new ATOM 0 HG LEU A 64 8.394 5.926 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.669 6.125 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.387 4.959 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.958 6.593 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.075 8.102 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.364 8.568 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.086 8.344 3.950 1.00 0.00 H new ATOM 1026 N LYS A 65 4.060 6.523 5.840 1.00 0.00 N ATOM 1027 CA LYS A 65 2.746 7.060 6.297 1.00 0.00 C ATOM 1028 C LYS A 65 2.903 7.711 7.674 1.00 0.00 C ATOM 1029 O LYS A 65 2.429 8.806 7.910 1.00 0.00 O ATOM 1030 CB LYS A 65 1.821 5.841 6.375 1.00 0.00 C ATOM 1031 CG LYS A 65 0.422 6.283 6.813 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.622 5.338 6.216 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.948 5.503 6.962 1.00 0.00 C ATOM 1034 NZ LYS A 65 -1.818 4.640 8.170 1.00 0.00 N ATOM 0 H LYS A 65 4.146 5.507 5.879 1.00 0.00 H new ATOM 0 HA LYS A 65 2.350 7.822 5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.770 5.348 5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.221 5.113 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.352 6.279 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.233 7.305 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.760 5.554 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.278 4.306 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.120 6.544 7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.790 5.193 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.267 5.109 8.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.285 3.727 7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.811 4.481 8.376 1.00 0.00 H new ATOM 1048 N GLU A 66 3.569 7.041 8.583 1.00 0.00 N ATOM 1049 CA GLU A 66 3.766 7.611 9.955 1.00 0.00 C ATOM 1050 C GLU A 66 4.484 8.962 9.874 1.00 0.00 C ATOM 1051 O GLU A 66 4.151 9.894 10.581 1.00 0.00 O ATOM 1052 CB GLU A 66 4.633 6.590 10.694 1.00 0.00 C ATOM 1053 CG GLU A 66 4.490 6.793 12.203 1.00 0.00 C ATOM 1054 CD GLU A 66 5.200 5.657 12.942 1.00 0.00 C ATOM 1055 OE1 GLU A 66 6.382 5.801 13.212 1.00 0.00 O ATOM 1056 OE2 GLU A 66 4.552 4.664 13.225 1.00 0.00 O ATOM 0 H GLU A 66 3.986 6.122 8.435 1.00 0.00 H new ATOM 0 HA GLU A 66 2.818 7.785 10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.332 5.578 10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.676 6.702 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.918 7.753 12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.436 6.817 12.479 1.00 0.00 H new ATOM 1063 N LYS A 67 5.462 9.071 9.011 1.00 0.00 N ATOM 1064 CA LYS A 67 6.206 10.360 8.870 1.00 0.00 C ATOM 1065 C LYS A 67 5.388 11.362 8.046 1.00 0.00 C ATOM 1066 O LYS A 67 5.581 12.559 8.145 1.00 0.00 O ATOM 1067 CB LYS A 67 7.499 9.996 8.140 1.00 0.00 C ATOM 1068 CG LYS A 67 8.549 11.080 8.388 1.00 0.00 C ATOM 1069 CD LYS A 67 9.678 10.943 7.364 1.00 0.00 C ATOM 1070 CE LYS A 67 10.591 9.782 7.763 1.00 0.00 C ATOM 1071 NZ LYS A 67 11.506 9.595 6.603 1.00 0.00 N ATOM 0 H LYS A 67 5.778 8.321 8.396 1.00 0.00 H new ATOM 0 HA LYS A 67 6.400 10.829 9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.867 9.032 8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.310 9.896 7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.093 12.067 8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.948 10.990 9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.263 10.769 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.251 11.869 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.148 10.012 8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.016 8.878 7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.164 8.814 6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.949 9.371 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.046 10.469 6.442 1.00 0.00 H new ATOM 1085 N TYR A 68 4.477 10.882 7.237 1.00 0.00 N ATOM 1086 CA TYR A 68 3.641 11.798 6.404 1.00 0.00 C ATOM 1087 C TYR A 68 2.694 12.594 7.304 1.00 0.00 C ATOM 1088 O TYR A 68 2.601 13.802 7.216 1.00 0.00 O ATOM 1089 CB TYR A 68 2.844 10.872 5.472 1.00 0.00 C ATOM 1090 CG TYR A 68 3.251 11.108 4.039 1.00 0.00 C ATOM 1091 CD1 TYR A 68 4.578 10.897 3.651 1.00 0.00 C ATOM 1092 CD2 TYR A 68 2.305 11.533 3.100 1.00 0.00 C ATOM 1093 CE1 TYR A 68 4.961 11.112 2.322 1.00 0.00 C ATOM 1094 CE2 TYR A 68 2.688 11.748 1.770 1.00 0.00 C ATOM 1095 CZ TYR A 68 4.016 11.538 1.381 1.00 0.00 C ATOM 1096 OH TYR A 68 4.394 11.750 0.071 1.00 0.00 O ATOM 0 H TYR A 68 4.276 9.889 7.118 1.00 0.00 H new ATOM 0 HA TYR A 68 4.239 12.518 5.846 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.021 9.831 5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.776 11.055 5.590 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.307 10.568 4.377 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.280 11.695 3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.986 10.949 2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.958 12.076 1.044 1.00 0.00 H new ATOM 0 HH TYR A 68 3.617 12.042 -0.450 1.00 0.00 H new ATOM 1106 N GLU A 69 1.986 11.911 8.164 1.00 0.00 N ATOM 1107 CA GLU A 69 1.022 12.598 9.088 1.00 0.00 C ATOM 1108 C GLU A 69 1.721 13.735 9.843 1.00 0.00 C ATOM 1109 O GLU A 69 1.171 14.807 10.015 1.00 0.00 O ATOM 1110 CB GLU A 69 0.552 11.510 10.055 1.00 0.00 C ATOM 1111 CG GLU A 69 -0.121 10.384 9.263 1.00 0.00 C ATOM 1112 CD GLU A 69 -1.085 9.621 10.172 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -0.625 8.747 10.889 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -2.266 9.925 10.138 1.00 0.00 O ATOM 0 H GLU A 69 2.031 10.898 8.270 1.00 0.00 H new ATOM 0 HA GLU A 69 0.188 13.049 8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.399 11.118 10.619 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.147 11.928 10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.660 10.797 8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.633 9.705 8.865 1.00 0.00 H new ATOM 1121 N LYS A 70 2.941 13.515 10.263 1.00 0.00 N ATOM 1122 CA LYS A 70 3.696 14.589 10.972 1.00 0.00 C ATOM 1123 C LYS A 70 4.116 15.626 9.936 1.00 0.00 C ATOM 1124 O LYS A 70 3.973 16.817 10.126 1.00 0.00 O ATOM 1125 CB LYS A 70 4.920 13.898 11.577 1.00 0.00 C ATOM 1126 CG LYS A 70 4.671 13.619 13.059 1.00 0.00 C ATOM 1127 CD LYS A 70 4.021 12.243 13.218 1.00 0.00 C ATOM 1128 CE LYS A 70 2.500 12.385 13.137 1.00 0.00 C ATOM 1129 NZ LYS A 70 1.967 11.332 14.046 1.00 0.00 N ATOM 0 H LYS A 70 3.446 12.637 10.145 1.00 0.00 H new ATOM 0 HA LYS A 70 3.115 15.090 11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.121 12.965 11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.802 14.528 11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.611 13.654 13.609 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.025 14.389 13.481 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.376 11.569 12.438 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.305 11.803 14.174 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.179 13.378 13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.144 12.243 12.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.928 11.366 14.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.284 10.397 13.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.317 11.497 15.011 1.00 0.00 H new ATOM 1143 N ASP A 71 4.614 15.156 8.822 1.00 0.00 N ATOM 1144 CA ASP A 71 5.033 16.076 7.722 1.00 0.00 C ATOM 1145 C ASP A 71 3.854 16.971 7.320 1.00 0.00 C ATOM 1146 O ASP A 71 3.957 18.183 7.302 1.00 0.00 O ATOM 1147 CB ASP A 71 5.425 15.152 6.564 1.00 0.00 C ATOM 1148 CG ASP A 71 6.947 15.013 6.508 1.00 0.00 C ATOM 1149 OD1 ASP A 71 7.488 14.304 7.341 1.00 0.00 O ATOM 1150 OD2 ASP A 71 7.546 15.616 5.633 1.00 0.00 O ATOM 0 H ASP A 71 4.750 14.164 8.625 1.00 0.00 H new ATOM 0 HA ASP A 71 5.853 16.733 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.965 14.173 6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.052 15.555 5.622 1.00 0.00 H new ATOM 1155 N ILE A 72 2.738 16.369 7.002 1.00 0.00 N ATOM 1156 CA ILE A 72 1.536 17.164 6.602 1.00 0.00 C ATOM 1157 C ILE A 72 1.058 18.013 7.796 1.00 0.00 C ATOM 1158 O ILE A 72 0.508 19.084 7.618 1.00 0.00 O ATOM 1159 CB ILE A 72 0.488 16.107 6.169 1.00 0.00 C ATOM 1160 CG1 ILE A 72 0.790 15.654 4.730 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -0.944 16.671 6.229 1.00 0.00 C ATOM 1162 CD1 ILE A 72 0.682 16.841 3.760 1.00 0.00 C ATOM 0 H ILE A 72 2.605 15.358 7.002 1.00 0.00 H new ATOM 0 HA ILE A 72 1.730 17.867 5.792 1.00 0.00 H new ATOM 0 HB ILE A 72 0.552 15.265 6.858 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.791 15.225 4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.092 14.870 4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.651 15.902 5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.170 16.982 7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.025 17.529 5.562 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.899 16.503 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.327 17.251 3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.398 17.611 4.047 1.00 0.00 H new ATOM 1174 N ALA A 73 1.264 17.542 9.000 1.00 0.00 N ATOM 1175 CA ALA A 73 0.821 18.325 10.196 1.00 0.00 C ATOM 1176 C ALA A 73 1.588 19.649 10.273 1.00 0.00 C ATOM 1177 O ALA A 73 1.023 20.685 10.568 1.00 0.00 O ATOM 1178 CB ALA A 73 1.145 17.445 11.405 1.00 0.00 C ATOM 0 H ALA A 73 1.718 16.652 9.207 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.240 18.571 10.153 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.846 17.958 12.319 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.604 16.502 11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.216 17.247 11.434 1.00 0.00 H new ATOM 1184 N ALA A 74 2.869 19.620 10.006 1.00 0.00 N ATOM 1185 CA ALA A 74 3.681 20.873 10.056 1.00 0.00 C ATOM 1186 C ALA A 74 3.568 21.638 8.732 1.00 0.00 C ATOM 1187 O ALA A 74 3.779 22.835 8.680 1.00 0.00 O ATOM 1188 CB ALA A 74 5.119 20.404 10.281 1.00 0.00 C ATOM 0 H ALA A 74 3.389 18.779 9.755 1.00 0.00 H new ATOM 0 HA ALA A 74 3.343 21.550 10.841 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.780 21.269 10.330 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.178 19.849 11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.425 19.759 9.457 1.00 0.00 H new ATOM 1194 N TYR A 75 3.229 20.956 7.665 1.00 0.00 N ATOM 1195 CA TYR A 75 3.092 21.640 6.345 1.00 0.00 C ATOM 1196 C TYR A 75 1.666 22.175 6.173 1.00 0.00 C ATOM 1197 O TYR A 75 1.434 23.115 5.436 1.00 0.00 O ATOM 1198 CB TYR A 75 3.388 20.559 5.303 1.00 0.00 C ATOM 1199 CG TYR A 75 3.734 21.213 3.986 1.00 0.00 C ATOM 1200 CD1 TYR A 75 2.716 21.587 3.101 1.00 0.00 C ATOM 1201 CD2 TYR A 75 5.073 21.445 3.651 1.00 0.00 C ATOM 1202 CE1 TYR A 75 3.037 22.193 1.880 1.00 0.00 C ATOM 1203 CE2 TYR A 75 5.394 22.052 2.430 1.00 0.00 C ATOM 1204 CZ TYR A 75 4.376 22.425 1.545 1.00 0.00 C ATOM 1205 OH TYR A 75 4.692 23.023 0.342 1.00 0.00 O ATOM 0 H TYR A 75 3.041 19.953 7.653 1.00 0.00 H new ATOM 0 HA TYR A 75 3.766 22.492 6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.214 19.932 5.638 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.522 19.908 5.182 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.683 21.408 3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.858 21.156 4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.252 22.481 1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.427 22.232 2.172 1.00 0.00 H new ATOM 0 HH TYR A 75 5.665 23.112 0.266 1.00 0.00 H new ATOM 1215 N ARG A 76 0.713 21.582 6.848 1.00 0.00 N ATOM 1216 CA ARG A 76 -0.701 22.049 6.727 1.00 0.00 C ATOM 1217 C ARG A 76 -0.976 23.226 7.678 1.00 0.00 C ATOM 1218 O ARG A 76 -2.007 23.866 7.589 1.00 0.00 O ATOM 1219 CB ARG A 76 -1.549 20.839 7.121 1.00 0.00 C ATOM 1220 CG ARG A 76 -3.027 21.157 6.892 1.00 0.00 C ATOM 1221 CD ARG A 76 -3.802 19.856 6.667 1.00 0.00 C ATOM 1222 NE ARG A 76 -5.221 20.201 6.956 1.00 0.00 N ATOM 1223 CZ ARG A 76 -6.176 19.716 6.210 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -6.116 19.839 4.913 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -7.190 19.107 6.762 1.00 0.00 N ATOM 0 H ARG A 76 0.854 20.793 7.479 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.925 22.405 5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.257 19.970 6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.378 20.587 8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.432 21.690 7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.139 21.813 6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.683 19.497 5.645 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.446 19.065 7.326 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.447 20.817 7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.323 20.314 4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.862 19.460 4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.236 19.010 7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.936 18.728 6.179 1.00 0.00 H new ATOM 1239 N ALA A 77 -0.070 23.518 8.583 1.00 0.00 N ATOM 1240 CA ALA A 77 -0.292 24.651 9.530 1.00 0.00 C ATOM 1241 C ALA A 77 0.836 25.676 9.407 1.00 0.00 C ATOM 1242 O ALA A 77 0.663 26.745 8.856 1.00 0.00 O ATOM 1243 CB ALA A 77 -0.297 24.013 10.920 1.00 0.00 C ATOM 0 H ALA A 77 0.812 23.019 8.704 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.221 25.183 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.455 24.784 11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.099 23.277 10.980 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.660 23.522 11.099 1.00 0.00 H new ATOM 1249 N LYS A 78 1.991 25.351 9.923 1.00 0.00 N ATOM 1250 CA LYS A 78 3.162 26.288 9.856 1.00 0.00 C ATOM 1251 C LYS A 78 2.787 27.668 10.408 1.00 0.00 C ATOM 1252 O LYS A 78 2.277 28.472 9.644 1.00 0.00 O ATOM 1253 CB LYS A 78 3.525 26.384 8.371 1.00 0.00 C ATOM 1254 CG LYS A 78 4.845 27.141 8.214 1.00 0.00 C ATOM 1255 CD LYS A 78 5.334 27.021 6.769 1.00 0.00 C ATOM 1256 CE LYS A 78 5.742 25.573 6.486 1.00 0.00 C ATOM 1257 NZ LYS A 78 6.407 25.615 5.154 1.00 0.00 N ATOM 1258 OXT LYS A 78 3.017 27.896 11.584 1.00 0.00 O ATOM 0 H LYS A 78 2.180 24.467 10.395 1.00 0.00 H new ATOM 0 HA LYS A 78 3.998 25.928 10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.613 25.386 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.733 26.896 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.708 28.190 8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.592 26.736 8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.547 27.329 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.181 27.687 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.418 25.196 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.874 24.913 6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.716 24.658 4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.737 25.971 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.233 26.245 5.198 1.00 0.00 H new TER 1272 LYS A 78