USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 HIS : no HE2:sc= -16.5! C(o=-22!,f=-26!) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -5.87! C(o=-22!,f=-23!) USER MOD Set 1.3: A 43 LYS NZ :NH3+ -160:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 SER OG : rot 30:sc= 0.234 USER MOD Set 2.2: A 44 CYS SG : rot 117:sc= -8.01! USER MOD Set 3.1: A 12 MET CE :methyl 156:sc= -1.18 (180deg=-2.08) USER MOD Set 3.2: A 20 GLN : amide:sc= -0.155 K(o=-1.3,f=-9.1!) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0433 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.17) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= -0.141 (180deg=-0.843) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.226 USER MOD Single : A 15 TYR OH : rot 173:sc= -1.94 USER MOD Single : A 21 THR OG1 : rot 98:sc= 1.28 USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -0.0284 (180deg=-0.465) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= 0.00738 (180deg=-0.00894) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.05 K(o=-0.05,f=-1.8) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -90:sc= -0.335 USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= -2.38! (180deg=-4.8!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -127:sc= -0.671 (180deg=-3.24!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -122:sc= -0.0258 (180deg=-0.715) USER MOD Single : A 56 LYS NZ :NH3+ -125:sc= -2.07! (180deg=-3.15!) USER MOD Single : A 58 LYS NZ :NH3+ -115:sc= 1.2 (180deg=-0.109) USER MOD Single : A 62 MET CE :methyl -175:sc= -0.336 (180deg=-0.361) USER MOD Single : A 64 LYS NZ :NH3+ -117:sc= 0.0349 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0157) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 168:sc= 0 (180deg=-0.00448) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -4:sc= 0.483 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0986 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.117 -29.975 2.210 1.00 0.00 N ATOM 2 CA GLY A 1 -10.130 -28.646 1.537 1.00 0.00 C ATOM 3 C GLY A 1 -9.475 -27.599 2.440 1.00 0.00 C ATOM 4 O GLY A 1 -9.563 -27.675 3.651 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.058 -30.412 2.134 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.412 -30.588 1.753 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.872 -29.854 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.598 -28.704 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.155 -28.353 1.310 1.00 0.00 H new ATOM 10 N LYS A 2 -8.833 -26.640 1.831 1.00 0.00 N ATOM 11 CA LYS A 2 -8.171 -25.585 2.635 1.00 0.00 C ATOM 12 C LYS A 2 -9.171 -24.914 3.561 1.00 0.00 C ATOM 13 O LYS A 2 -8.927 -24.763 4.742 1.00 0.00 O ATOM 14 CB LYS A 2 -7.597 -24.526 1.678 1.00 0.00 C ATOM 15 CG LYS A 2 -6.739 -25.215 0.615 1.00 0.00 C ATOM 16 CD LYS A 2 -6.184 -24.158 -0.347 1.00 0.00 C ATOM 17 CE LYS A 2 -5.649 -24.852 -1.603 1.00 0.00 C ATOM 18 NZ LYS A 2 -4.572 -25.816 -1.247 1.00 0.00 N ATOM 0 H LYS A 2 -8.741 -26.545 0.820 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.381 -26.037 3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.407 -23.971 1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.998 -23.804 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.921 -25.759 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.334 -25.946 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.965 -23.447 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.389 -23.591 0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.460 -25.375 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.264 -24.108 -2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.072 -26.112 -2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.900 -25.361 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.990 -26.649 -0.786 1.00 0.00 H new ATOM 32 N GLY A 3 -10.286 -24.519 3.009 1.00 0.00 N ATOM 33 CA GLY A 3 -11.318 -23.853 3.847 1.00 0.00 C ATOM 34 C GLY A 3 -12.384 -23.201 2.967 1.00 0.00 C ATOM 35 O GLY A 3 -13.242 -23.875 2.429 1.00 0.00 O ATOM 0 H GLY A 3 -10.524 -24.628 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.782 -24.583 4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.850 -23.099 4.480 1.00 0.00 H new ATOM 39 N ASP A 4 -12.300 -21.895 2.838 1.00 0.00 N ATOM 40 CA ASP A 4 -13.290 -21.159 2.001 1.00 0.00 C ATOM 41 C ASP A 4 -12.694 -19.837 1.498 1.00 0.00 C ATOM 42 O ASP A 4 -13.099 -18.776 1.927 1.00 0.00 O ATOM 43 CB ASP A 4 -14.509 -20.828 2.878 1.00 0.00 C ATOM 44 CG ASP A 4 -15.205 -22.123 3.302 1.00 0.00 C ATOM 45 OD1 ASP A 4 -15.751 -22.760 2.415 1.00 0.00 O ATOM 46 OD2 ASP A 4 -15.150 -22.401 4.488 1.00 0.00 O ATOM 0 H ASP A 4 -11.587 -21.313 3.278 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.566 -21.778 1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.194 -20.268 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.204 -20.194 2.328 1.00 0.00 H new ATOM 51 N PRO A 5 -11.730 -19.925 0.587 1.00 0.00 N ATOM 52 CA PRO A 5 -11.096 -18.725 0.045 1.00 0.00 C ATOM 53 C PRO A 5 -12.128 -17.777 -0.567 1.00 0.00 C ATOM 54 O PRO A 5 -11.809 -16.666 -0.938 1.00 0.00 O ATOM 55 CB PRO A 5 -10.097 -19.247 -1.036 1.00 0.00 C ATOM 56 CG PRO A 5 -10.081 -20.811 -0.924 1.00 0.00 C ATOM 57 CD PRO A 5 -11.220 -21.207 0.053 1.00 0.00 C ATOM 0 HA PRO A 5 -10.592 -18.149 0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.408 -18.934 -2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.100 -18.838 -0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.234 -21.269 -1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.117 -21.161 -0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -12.006 -21.761 -0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.849 -21.848 0.853 1.00 0.00 H new ATOM 65 N LYS A 6 -13.343 -18.233 -0.662 1.00 0.00 N ATOM 66 CA LYS A 6 -14.390 -17.364 -1.243 1.00 0.00 C ATOM 67 C LYS A 6 -14.644 -16.185 -0.310 1.00 0.00 C ATOM 68 O LYS A 6 -15.445 -15.317 -0.595 1.00 0.00 O ATOM 69 CB LYS A 6 -15.696 -18.182 -1.396 1.00 0.00 C ATOM 70 CG LYS A 6 -15.363 -19.599 -1.877 1.00 0.00 C ATOM 71 CD LYS A 6 -14.505 -19.523 -3.143 1.00 0.00 C ATOM 72 CE LYS A 6 -14.426 -20.914 -3.779 1.00 0.00 C ATOM 73 NZ LYS A 6 -13.351 -20.960 -4.809 1.00 0.00 N ATOM 0 H LYS A 6 -13.651 -19.159 -0.365 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.065 -16.996 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.223 -18.225 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.362 -17.693 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.831 -20.143 -1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.281 -20.150 -2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.936 -18.811 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.505 -19.164 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.232 -21.661 -3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.384 -21.167 -4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.313 -21.911 -5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.552 -20.261 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.436 -20.740 -4.366 1.00 0.00 H new ATOM 87 N LYS A 7 -13.947 -16.190 0.799 1.00 0.00 N ATOM 88 CA LYS A 7 -14.107 -15.101 1.782 1.00 0.00 C ATOM 89 C LYS A 7 -13.349 -13.832 1.316 1.00 0.00 C ATOM 90 O LYS A 7 -12.405 -13.928 0.557 1.00 0.00 O ATOM 91 CB LYS A 7 -13.485 -15.591 3.121 1.00 0.00 C ATOM 92 CG LYS A 7 -14.538 -16.332 3.944 1.00 0.00 C ATOM 93 CD LYS A 7 -13.844 -17.003 5.133 1.00 0.00 C ATOM 94 CE LYS A 7 -14.896 -17.496 6.128 1.00 0.00 C ATOM 95 NZ LYS A 7 -14.242 -17.917 7.398 1.00 0.00 N ATOM 0 H LYS A 7 -13.273 -16.910 1.058 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.163 -14.853 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.639 -16.249 2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.101 -14.742 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.302 -15.638 4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.042 -17.078 3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.235 -17.839 4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.170 -16.298 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.619 -16.705 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.449 -18.332 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.965 -18.250 8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.569 -18.686 7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.734 -17.109 7.811 1.00 0.00 H new ATOM 109 N PRO A 8 -13.777 -12.656 1.789 1.00 0.00 N ATOM 110 CA PRO A 8 -13.116 -11.411 1.402 1.00 0.00 C ATOM 111 C PRO A 8 -11.626 -11.471 1.761 1.00 0.00 C ATOM 112 O PRO A 8 -11.261 -11.955 2.814 1.00 0.00 O ATOM 113 CB PRO A 8 -13.839 -10.293 2.228 1.00 0.00 C ATOM 114 CG PRO A 8 -14.922 -11.003 3.112 1.00 0.00 C ATOM 115 CD PRO A 8 -14.919 -12.503 2.718 1.00 0.00 C ATOM 0 HA PRO A 8 -13.176 -11.226 0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.127 -9.752 2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -14.301 -9.562 1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.694 -10.882 4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.905 -10.563 2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.802 -13.140 3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.857 -12.787 2.240 1.00 0.00 H new ATOM 123 N ARG A 9 -10.798 -10.981 0.883 1.00 0.00 N ATOM 124 CA ARG A 9 -9.347 -11.009 1.169 1.00 0.00 C ATOM 125 C ARG A 9 -9.031 -10.256 2.438 1.00 0.00 C ATOM 126 O ARG A 9 -8.823 -10.856 3.475 1.00 0.00 O ATOM 127 CB ARG A 9 -8.594 -10.368 -0.014 1.00 0.00 C ATOM 128 CG ARG A 9 -7.095 -10.648 0.137 1.00 0.00 C ATOM 129 CD ARG A 9 -6.307 -9.773 -0.846 1.00 0.00 C ATOM 130 NE ARG A 9 -4.912 -10.289 -0.935 1.00 0.00 N ATOM 131 CZ ARG A 9 -4.161 -9.949 -1.949 1.00 0.00 C ATOM 132 NH1 ARG A 9 -4.656 -9.165 -2.867 1.00 0.00 N ATOM 133 NH2 ARG A 9 -2.933 -10.392 -2.000 1.00 0.00 N ATOM 0 H ARG A 9 -11.064 -10.567 -0.011 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.033 -12.044 1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.960 -10.774 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.776 -9.293 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.777 -10.441 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.890 -11.702 -0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.779 -9.790 -1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.305 -8.736 -0.511 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.545 -10.904 -0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.615 -8.827 -2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.084 -8.890 -3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.576 -10.992 -1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.331 -10.138 -2.783 1.00 0.00 H new ATOM 147 N GLY A 10 -9.006 -8.958 2.349 1.00 0.00 N ATOM 148 CA GLY A 10 -8.701 -8.157 3.553 1.00 0.00 C ATOM 149 C GLY A 10 -8.235 -6.763 3.146 1.00 0.00 C ATOM 150 O GLY A 10 -7.118 -6.590 2.698 1.00 0.00 O ATOM 0 H GLY A 10 -9.183 -8.424 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.586 -8.084 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.928 -8.650 4.142 1.00 0.00 H new ATOM 154 N LYS A 11 -9.103 -5.802 3.299 1.00 0.00 N ATOM 155 CA LYS A 11 -8.736 -4.408 2.929 1.00 0.00 C ATOM 156 C LYS A 11 -7.410 -3.995 3.565 1.00 0.00 C ATOM 157 O LYS A 11 -7.292 -3.905 4.771 1.00 0.00 O ATOM 158 CB LYS A 11 -9.855 -3.453 3.414 1.00 0.00 C ATOM 159 CG LYS A 11 -10.252 -3.769 4.908 1.00 0.00 C ATOM 160 CD LYS A 11 -9.948 -2.558 5.808 1.00 0.00 C ATOM 161 CE LYS A 11 -10.123 -2.967 7.271 1.00 0.00 C ATOM 162 NZ LYS A 11 -9.141 -4.025 7.635 1.00 0.00 N ATOM 0 H LYS A 11 -10.048 -5.922 3.663 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.624 -4.353 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.518 -2.420 3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.730 -3.554 2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.312 -4.017 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.701 -4.641 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.931 -2.206 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.617 -1.732 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.988 -2.099 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.137 -3.331 7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.954 -3.988 8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.528 -4.958 7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.254 -3.869 7.115 1.00 0.00 H new ATOM 176 N MET A 12 -6.436 -3.759 2.721 1.00 0.00 N ATOM 177 CA MET A 12 -5.089 -3.349 3.214 1.00 0.00 C ATOM 178 C MET A 12 -5.027 -1.839 3.456 1.00 0.00 C ATOM 179 O MET A 12 -5.865 -1.094 2.987 1.00 0.00 O ATOM 180 CB MET A 12 -4.055 -3.729 2.107 1.00 0.00 C ATOM 181 CG MET A 12 -3.391 -5.067 2.445 1.00 0.00 C ATOM 182 SD MET A 12 -2.500 -5.898 1.112 1.00 0.00 S ATOM 183 CE MET A 12 -1.668 -4.428 0.466 1.00 0.00 C ATOM 0 H MET A 12 -6.519 -3.834 1.707 1.00 0.00 H new ATOM 0 HA MET A 12 -4.874 -3.851 4.158 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.554 -3.795 1.140 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.298 -2.949 2.022 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.694 -4.902 3.267 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.162 -5.745 2.812 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.763 -4.725 -0.064 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.335 -3.904 -0.219 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.404 -3.767 1.292 1.00 0.00 H new ATOM 193 N SER A 13 -4.018 -1.423 4.182 1.00 0.00 N ATOM 194 CA SER A 13 -3.867 0.024 4.471 1.00 0.00 C ATOM 195 C SER A 13 -3.266 0.737 3.267 1.00 0.00 C ATOM 196 O SER A 13 -2.812 0.105 2.338 1.00 0.00 O ATOM 197 CB SER A 13 -2.919 0.187 5.674 1.00 0.00 C ATOM 198 OG SER A 13 -3.430 -0.718 6.643 1.00 0.00 O ATOM 0 H SER A 13 -3.299 -2.025 4.582 1.00 0.00 H new ATOM 0 HA SER A 13 -4.843 0.456 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.890 -0.054 5.406 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.920 1.212 6.046 1.00 0.00 H new ATOM 0 HG SER A 13 -2.877 -0.679 7.451 1.00 0.00 H new ATOM 204 N SER A 14 -3.261 2.038 3.308 1.00 0.00 N ATOM 205 CA SER A 14 -2.697 2.801 2.179 1.00 0.00 C ATOM 206 C SER A 14 -1.216 2.529 2.024 1.00 0.00 C ATOM 207 O SER A 14 -0.702 2.471 0.925 1.00 0.00 O ATOM 208 CB SER A 14 -2.907 4.283 2.481 1.00 0.00 C ATOM 209 OG SER A 14 -2.107 4.516 3.624 1.00 0.00 O ATOM 0 H SER A 14 -3.625 2.600 4.077 1.00 0.00 H new ATOM 0 HA SER A 14 -3.190 2.507 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.598 4.909 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.956 4.506 2.676 1.00 0.00 H new ATOM 0 HG SER A 14 -2.182 5.456 3.889 1.00 0.00 H new ATOM 215 N TYR A 15 -0.553 2.368 3.124 1.00 0.00 N ATOM 216 CA TYR A 15 0.892 2.097 3.060 1.00 0.00 C ATOM 217 C TYR A 15 1.098 0.694 2.546 1.00 0.00 C ATOM 218 O TYR A 15 1.845 0.470 1.622 1.00 0.00 O ATOM 219 CB TYR A 15 1.490 2.215 4.491 1.00 0.00 C ATOM 220 CG TYR A 15 2.867 1.521 4.542 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.785 1.680 3.514 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.182 0.683 5.588 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.981 1.012 3.536 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.384 0.012 5.605 1.00 0.00 C ATOM 225 CZ TYR A 15 5.291 0.171 4.576 1.00 0.00 C ATOM 226 OH TYR A 15 6.467 -0.532 4.572 1.00 0.00 O ATOM 0 H TYR A 15 -0.951 2.413 4.062 1.00 0.00 H new ATOM 0 HA TYR A 15 1.382 2.810 2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.591 3.265 4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.816 1.758 5.215 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.555 2.337 2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.482 0.551 6.400 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.686 1.148 2.729 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.619 -0.644 6.430 1.00 0.00 H new ATOM 0 HH TYR A 15 6.578 -0.989 5.432 1.00 0.00 H new ATOM 236 N ALA A 16 0.435 -0.227 3.173 1.00 0.00 N ATOM 237 CA ALA A 16 0.568 -1.623 2.746 1.00 0.00 C ATOM 238 C ALA A 16 0.266 -1.751 1.265 1.00 0.00 C ATOM 239 O ALA A 16 0.785 -2.621 0.596 1.00 0.00 O ATOM 240 CB ALA A 16 -0.432 -2.470 3.536 1.00 0.00 C ATOM 0 H ALA A 16 -0.191 -0.066 3.962 1.00 0.00 H new ATOM 0 HA ALA A 16 1.587 -1.963 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.347 -3.513 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.219 -2.385 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.444 -2.116 3.339 1.00 0.00 H new ATOM 246 N PHE A 17 -0.569 -0.877 0.765 1.00 0.00 N ATOM 247 CA PHE A 17 -0.895 -0.957 -0.674 1.00 0.00 C ATOM 248 C PHE A 17 0.330 -0.599 -1.486 1.00 0.00 C ATOM 249 O PHE A 17 0.585 -1.166 -2.530 1.00 0.00 O ATOM 250 CB PHE A 17 -2.056 0.053 -0.972 1.00 0.00 C ATOM 251 CG PHE A 17 -3.302 -0.695 -1.459 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.427 -1.043 -2.789 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.336 -0.996 -0.584 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.563 -1.673 -3.242 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.471 -1.629 -1.043 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.583 -1.965 -2.371 1.00 0.00 C ATOM 0 H PHE A 17 -1.027 -0.129 1.285 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.208 -1.967 -0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.293 0.620 -0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.737 0.771 -1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.627 -0.819 -3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.251 -0.733 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.652 -1.938 -4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.273 -1.861 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.474 -2.459 -2.729 1.00 0.00 H new ATOM 266 N PHE A 18 1.073 0.324 -0.978 1.00 0.00 N ATOM 267 CA PHE A 18 2.292 0.748 -1.688 1.00 0.00 C ATOM 268 C PHE A 18 3.378 -0.300 -1.510 1.00 0.00 C ATOM 269 O PHE A 18 4.349 -0.307 -2.241 1.00 0.00 O ATOM 270 CB PHE A 18 2.742 2.119 -1.110 1.00 0.00 C ATOM 271 CG PHE A 18 4.243 2.356 -1.334 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.174 1.847 -0.446 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.683 3.107 -2.411 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.515 2.085 -0.633 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.028 3.343 -2.592 1.00 0.00 C ATOM 276 CZ PHE A 18 6.941 2.832 -1.704 1.00 0.00 C ATOM 0 H PHE A 18 0.889 0.806 -0.098 1.00 0.00 H new ATOM 0 HA PHE A 18 2.098 0.853 -2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.171 2.919 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.521 2.156 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.845 1.260 0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.968 3.510 -3.113 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.236 1.683 0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.364 3.931 -3.433 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.995 3.017 -1.847 1.00 0.00 H new ATOM 286 N VAL A 19 3.193 -1.183 -0.530 1.00 0.00 N ATOM 287 CA VAL A 19 4.207 -2.231 -0.304 1.00 0.00 C ATOM 288 C VAL A 19 4.008 -3.347 -1.265 1.00 0.00 C ATOM 289 O VAL A 19 4.942 -3.787 -1.852 1.00 0.00 O ATOM 290 CB VAL A 19 4.120 -2.782 1.140 1.00 0.00 C ATOM 291 CG1 VAL A 19 5.078 -3.984 1.283 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.561 -1.689 2.111 1.00 0.00 C ATOM 0 H VAL A 19 2.391 -1.204 0.099 1.00 0.00 H new ATOM 0 HA VAL A 19 5.191 -1.786 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 19 3.098 -3.092 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.021 -4.376 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.792 -4.763 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.099 -3.663 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.504 -2.065 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.587 -1.397 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.907 -0.824 2.006 1.00 0.00 H new ATOM 302 N GLN A 20 2.789 -3.805 -1.419 1.00 0.00 N ATOM 303 CA GLN A 20 2.602 -4.909 -2.373 1.00 0.00 C ATOM 304 C GLN A 20 3.023 -4.434 -3.732 1.00 0.00 C ATOM 305 O GLN A 20 3.367 -5.213 -4.601 1.00 0.00 O ATOM 306 CB GLN A 20 1.123 -5.375 -2.403 1.00 0.00 C ATOM 307 CG GLN A 20 0.194 -4.222 -2.811 1.00 0.00 C ATOM 308 CD GLN A 20 -1.169 -4.795 -3.216 1.00 0.00 C ATOM 309 OE1 GLN A 20 -1.939 -5.243 -2.390 1.00 0.00 O ATOM 310 NE2 GLN A 20 -1.503 -4.804 -4.481 1.00 0.00 N ATOM 0 H GLN A 20 1.953 -3.470 -0.940 1.00 0.00 H new ATOM 0 HA GLN A 20 3.208 -5.761 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.012 -6.202 -3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.835 -5.749 -1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.077 -3.523 -1.983 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.629 -3.664 -3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.862 -4.430 -5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.405 -5.185 -4.768 1.00 0.00 H new ATOM 319 N THR A 21 2.990 -3.132 -3.884 1.00 0.00 N ATOM 320 CA THR A 21 3.384 -2.535 -5.167 1.00 0.00 C ATOM 321 C THR A 21 4.889 -2.480 -5.234 1.00 0.00 C ATOM 322 O THR A 21 5.471 -2.570 -6.297 1.00 0.00 O ATOM 323 CB THR A 21 2.812 -1.120 -5.240 1.00 0.00 C ATOM 324 OG1 THR A 21 1.419 -1.273 -5.078 1.00 0.00 O ATOM 325 CG2 THR A 21 2.968 -0.546 -6.645 1.00 0.00 C ATOM 0 H THR A 21 2.704 -2.468 -3.164 1.00 0.00 H new ATOM 0 HA THR A 21 3.005 -3.128 -6.000 1.00 0.00 H new ATOM 0 HB THR A 21 3.306 -0.483 -4.506 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.177 -1.098 -4.145 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.554 0.462 -6.674 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.025 -0.512 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.436 -1.177 -7.357 1.00 0.00 H new ATOM 333 N SER A 22 5.498 -2.342 -4.073 1.00 0.00 N ATOM 334 CA SER A 22 6.983 -2.280 -4.015 1.00 0.00 C ATOM 335 C SER A 22 7.542 -3.687 -3.908 1.00 0.00 C ATOM 336 O SER A 22 8.704 -3.919 -4.144 1.00 0.00 O ATOM 337 CB SER A 22 7.385 -1.490 -2.759 1.00 0.00 C ATOM 338 OG SER A 22 8.768 -1.230 -2.943 1.00 0.00 O ATOM 0 H SER A 22 5.025 -2.271 -3.172 1.00 0.00 H new ATOM 0 HA SER A 22 7.373 -1.799 -4.912 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.814 -0.566 -2.669 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.205 -2.066 -1.851 1.00 0.00 H new ATOM 0 HG SER A 22 8.963 -1.160 -3.901 1.00 0.00 H new ATOM 344 N ARG A 23 6.674 -4.602 -3.558 1.00 0.00 N ATOM 345 CA ARG A 23 7.086 -6.021 -3.414 1.00 0.00 C ATOM 346 C ARG A 23 7.269 -6.667 -4.765 1.00 0.00 C ATOM 347 O ARG A 23 8.188 -7.420 -4.971 1.00 0.00 O ATOM 348 CB ARG A 23 5.972 -6.759 -2.638 1.00 0.00 C ATOM 349 CG ARG A 23 6.497 -8.091 -2.086 1.00 0.00 C ATOM 350 CD ARG A 23 5.539 -8.580 -0.984 1.00 0.00 C ATOM 351 NE ARG A 23 5.806 -10.023 -0.703 1.00 0.00 N ATOM 352 CZ ARG A 23 5.460 -10.928 -1.580 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.887 -10.550 -2.689 1.00 0.00 N ATOM 354 NH2 ARG A 23 5.694 -12.185 -1.312 1.00 0.00 N ATOM 0 H ARG A 23 5.689 -4.419 -3.365 1.00 0.00 H new ATOM 0 HA ARG A 23 8.036 -6.075 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.615 -6.134 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.121 -6.940 -3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.564 -8.831 -2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.502 -7.964 -1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.677 -7.990 -0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.504 -8.444 -1.299 1.00 0.00 H new ATOM 0 HE ARG A 23 6.256 -10.300 0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.715 -9.560 -2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.611 -11.245 -3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.139 -12.444 -0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.432 -12.907 -1.983 1.00 0.00 H new ATOM 368 N GLU A 24 6.385 -6.365 -5.660 1.00 0.00 N ATOM 369 CA GLU A 24 6.495 -6.958 -7.011 1.00 0.00 C ATOM 370 C GLU A 24 7.774 -6.477 -7.674 1.00 0.00 C ATOM 371 O GLU A 24 8.370 -7.172 -8.471 1.00 0.00 O ATOM 372 CB GLU A 24 5.288 -6.494 -7.842 1.00 0.00 C ATOM 373 CG GLU A 24 4.062 -7.318 -7.441 1.00 0.00 C ATOM 374 CD GLU A 24 4.177 -8.716 -8.050 1.00 0.00 C ATOM 375 OE1 GLU A 24 3.866 -8.824 -9.223 1.00 0.00 O ATOM 376 OE2 GLU A 24 4.574 -9.599 -7.307 1.00 0.00 O ATOM 0 H GLU A 24 5.594 -5.737 -5.518 1.00 0.00 H new ATOM 0 HA GLU A 24 6.514 -8.046 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.100 -5.433 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.493 -6.617 -8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.993 -7.385 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.151 -6.830 -7.788 1.00 0.00 H new ATOM 383 N GLU A 25 8.167 -5.284 -7.322 1.00 0.00 N ATOM 384 CA GLU A 25 9.389 -4.709 -7.894 1.00 0.00 C ATOM 385 C GLU A 25 10.609 -5.352 -7.225 1.00 0.00 C ATOM 386 O GLU A 25 11.642 -5.541 -7.840 1.00 0.00 O ATOM 387 CB GLU A 25 9.329 -3.152 -7.629 1.00 0.00 C ATOM 388 CG GLU A 25 10.583 -2.651 -6.883 1.00 0.00 C ATOM 389 CD GLU A 25 10.494 -1.136 -6.702 1.00 0.00 C ATOM 390 OE1 GLU A 25 10.754 -0.458 -7.681 1.00 0.00 O ATOM 391 OE2 GLU A 25 10.171 -0.743 -5.593 1.00 0.00 O ATOM 0 H GLU A 25 7.680 -4.686 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 25 9.470 -4.896 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.236 -2.625 -8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.440 -2.916 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.662 -3.140 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.481 -2.909 -7.444 1.00 0.00 H new ATOM 398 N HIS A 26 10.440 -5.668 -5.970 1.00 0.00 N ATOM 399 CA HIS A 26 11.540 -6.304 -5.184 1.00 0.00 C ATOM 400 C HIS A 26 11.527 -7.813 -5.399 1.00 0.00 C ATOM 401 O HIS A 26 12.481 -8.488 -5.119 1.00 0.00 O ATOM 402 CB HIS A 26 11.287 -5.959 -3.669 1.00 0.00 C ATOM 403 CG HIS A 26 11.713 -7.104 -2.718 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.560 -6.994 -1.811 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.246 -8.406 -2.624 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.682 -8.070 -1.150 1.00 0.00 C ATOM 407 NE2 HIS A 26 11.881 -9.034 -1.599 1.00 0.00 N ATOM 0 H HIS A 26 9.577 -5.511 -5.448 1.00 0.00 H new ATOM 0 HA HIS A 26 12.514 -5.933 -5.502 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.836 -5.054 -3.410 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.229 -5.744 -3.521 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.090 -6.143 -1.623 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.497 -8.850 -3.263 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.359 -8.190 -0.317 1.00 0.00 H new ATOM 415 N LYS A 27 10.445 -8.306 -5.901 1.00 0.00 N ATOM 416 CA LYS A 27 10.355 -9.761 -6.138 1.00 0.00 C ATOM 417 C LYS A 27 11.246 -10.177 -7.303 1.00 0.00 C ATOM 418 O LYS A 27 11.452 -11.352 -7.544 1.00 0.00 O ATOM 419 CB LYS A 27 8.884 -10.090 -6.476 1.00 0.00 C ATOM 420 CG LYS A 27 8.738 -11.590 -6.795 1.00 0.00 C ATOM 421 CD LYS A 27 7.282 -12.020 -6.573 1.00 0.00 C ATOM 422 CE LYS A 27 7.163 -13.520 -6.820 1.00 0.00 C ATOM 423 NZ LYS A 27 7.512 -13.839 -8.232 1.00 0.00 N ATOM 0 H LYS A 27 9.618 -7.767 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 27 10.686 -10.300 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.241 -9.824 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.557 -9.495 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.033 -11.784 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.402 -12.175 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.970 -11.780 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.622 -11.474 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.825 -14.061 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.147 -13.852 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.145 -14.781 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.089 -13.129 -8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.546 -13.830 -8.345 1.00 0.00 H new ATOM 437 N LYS A 28 11.780 -9.198 -7.988 1.00 0.00 N ATOM 438 CA LYS A 28 12.663 -9.493 -9.148 1.00 0.00 C ATOM 439 C LYS A 28 14.118 -9.742 -8.738 1.00 0.00 C ATOM 440 O LYS A 28 14.922 -10.118 -9.566 1.00 0.00 O ATOM 441 CB LYS A 28 12.622 -8.282 -10.090 1.00 0.00 C ATOM 442 CG LYS A 28 11.166 -8.059 -10.570 1.00 0.00 C ATOM 443 CD LYS A 28 11.162 -7.294 -11.904 1.00 0.00 C ATOM 444 CE LYS A 28 11.625 -5.854 -11.671 1.00 0.00 C ATOM 445 NZ LYS A 28 11.598 -5.088 -12.949 1.00 0.00 N ATOM 0 H LYS A 28 11.640 -8.207 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 28 12.300 -10.403 -9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.988 -7.393 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.278 -8.449 -10.945 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.663 -9.019 -10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.609 -7.499 -9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.820 -7.787 -12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.161 -7.300 -12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.980 -5.372 -10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.634 -5.852 -11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.915 -4.113 -12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.232 -5.540 -13.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.629 -5.076 -13.326 1.00 0.00 H new ATOM 459 N LYS A 29 14.448 -9.527 -7.477 1.00 0.00 N ATOM 460 CA LYS A 29 15.867 -9.767 -7.063 1.00 0.00 C ATOM 461 C LYS A 29 16.032 -9.890 -5.537 1.00 0.00 C ATOM 462 O LYS A 29 16.870 -9.239 -4.948 1.00 0.00 O ATOM 463 CB LYS A 29 16.753 -8.605 -7.598 1.00 0.00 C ATOM 464 CG LYS A 29 16.190 -7.242 -7.145 1.00 0.00 C ATOM 465 CD LYS A 29 16.796 -6.116 -8.008 1.00 0.00 C ATOM 466 CE LYS A 29 16.005 -4.820 -7.786 1.00 0.00 C ATOM 467 NZ LYS A 29 14.748 -4.834 -8.591 1.00 0.00 N ATOM 0 H LYS A 29 13.816 -9.207 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 29 16.179 -10.720 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.774 -8.722 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.795 -8.644 -8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.104 -7.238 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.423 -7.073 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.843 -5.965 -7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.769 -6.396 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.766 -4.709 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.615 -3.961 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.574 -3.885 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.843 -5.515 -9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.950 -5.111 -7.984 1.00 0.00 H new ATOM 481 N HIS A 30 15.228 -10.747 -4.935 1.00 0.00 N ATOM 482 CA HIS A 30 15.307 -10.949 -3.448 1.00 0.00 C ATOM 483 C HIS A 30 14.842 -12.383 -3.073 1.00 0.00 C ATOM 484 O HIS A 30 13.826 -12.568 -2.428 1.00 0.00 O ATOM 485 CB HIS A 30 14.372 -9.928 -2.750 1.00 0.00 C ATOM 486 CG HIS A 30 15.025 -8.539 -2.692 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.531 -8.043 -1.664 1.00 0.00 N ATOM 488 CD2 HIS A 30 15.107 -7.554 -3.653 1.00 0.00 C ATOM 489 CE1 HIS A 30 15.916 -6.854 -1.863 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.687 -6.447 -3.111 1.00 0.00 N ATOM 0 H HIS A 30 14.524 -11.312 -5.410 1.00 0.00 H new ATOM 0 HA HIS A 30 16.339 -10.808 -3.126 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.426 -9.868 -3.288 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.143 -10.269 -1.740 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.766 -7.645 -4.674 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.378 -6.238 -1.106 1.00 0.00 H new ATOM 0 HE2 HIS A 30 15.891 -5.547 -3.545 1.00 0.00 H new ATOM 498 N PRO A 31 15.597 -13.386 -3.511 1.00 0.00 N ATOM 499 CA PRO A 31 15.256 -14.778 -3.217 1.00 0.00 C ATOM 500 C PRO A 31 15.605 -15.139 -1.769 1.00 0.00 C ATOM 501 O PRO A 31 14.989 -16.001 -1.171 1.00 0.00 O ATOM 502 CB PRO A 31 16.142 -15.613 -4.199 1.00 0.00 C ATOM 503 CG PRO A 31 17.213 -14.631 -4.786 1.00 0.00 C ATOM 504 CD PRO A 31 16.799 -13.199 -4.351 1.00 0.00 C ATOM 0 HA PRO A 31 14.189 -14.967 -3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.621 -16.442 -3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.536 -16.045 -4.995 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.207 -14.876 -4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.253 -14.708 -5.873 1.00 0.00 H new ATOM 0 HD2 PRO A 31 17.598 -12.710 -3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.583 -12.571 -5.215 1.00 0.00 H new ATOM 512 N ASP A 32 16.588 -14.461 -1.247 1.00 0.00 N ATOM 513 CA ASP A 32 17.020 -14.726 0.156 1.00 0.00 C ATOM 514 C ASP A 32 16.157 -13.992 1.174 1.00 0.00 C ATOM 515 O ASP A 32 15.862 -14.516 2.230 1.00 0.00 O ATOM 516 CB ASP A 32 18.469 -14.234 0.301 1.00 0.00 C ATOM 517 CG ASP A 32 19.003 -14.636 1.676 1.00 0.00 C ATOM 518 OD1 ASP A 32 18.670 -13.930 2.613 1.00 0.00 O ATOM 519 OD2 ASP A 32 19.716 -15.626 1.712 1.00 0.00 O ATOM 0 H ASP A 32 17.113 -13.733 -1.731 1.00 0.00 H new ATOM 0 HA ASP A 32 16.926 -15.794 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.092 -14.664 -0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.511 -13.151 0.184 1.00 0.00 H new ATOM 524 N ALA A 33 15.770 -12.803 0.842 1.00 0.00 N ATOM 525 CA ALA A 33 14.926 -12.020 1.781 1.00 0.00 C ATOM 526 C ALA A 33 13.675 -12.800 2.190 1.00 0.00 C ATOM 527 O ALA A 33 13.240 -12.724 3.322 1.00 0.00 O ATOM 528 CB ALA A 33 14.499 -10.710 1.081 1.00 0.00 C ATOM 0 H ALA A 33 15.998 -12.336 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 33 15.505 -11.812 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.878 -10.122 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.385 -10.136 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.932 -10.947 0.181 1.00 0.00 H new ATOM 534 N SER A 34 13.118 -13.525 1.249 1.00 0.00 N ATOM 535 CA SER A 34 11.891 -14.327 1.542 1.00 0.00 C ATOM 536 C SER A 34 10.690 -13.421 1.799 1.00 0.00 C ATOM 537 O SER A 34 9.563 -13.860 1.741 1.00 0.00 O ATOM 538 CB SER A 34 12.151 -15.201 2.795 1.00 0.00 C ATOM 539 OG SER A 34 11.446 -16.405 2.528 1.00 0.00 O ATOM 0 H SER A 34 13.461 -13.595 0.291 1.00 0.00 H new ATOM 0 HA SER A 34 11.668 -14.953 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.216 -15.386 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.786 -14.718 3.701 1.00 0.00 H new ATOM 0 HG SER A 34 11.559 -17.024 3.279 1.00 0.00 H new ATOM 545 N VAL A 35 10.974 -12.180 2.072 1.00 0.00 N ATOM 546 CA VAL A 35 9.901 -11.197 2.341 1.00 0.00 C ATOM 547 C VAL A 35 8.880 -11.705 3.362 1.00 0.00 C ATOM 548 O VAL A 35 7.860 -12.267 3.004 1.00 0.00 O ATOM 549 CB VAL A 35 9.189 -10.884 1.020 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.087 -9.839 1.269 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.212 -10.318 0.031 1.00 0.00 C ATOM 0 H VAL A 35 11.921 -11.803 2.120 1.00 0.00 H new ATOM 0 HA VAL A 35 10.359 -10.304 2.766 1.00 0.00 H new ATOM 0 HB VAL A 35 8.742 -11.791 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.579 -9.615 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.367 -10.233 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.533 -8.928 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.718 -10.091 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.648 -9.407 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.999 -11.053 -0.139 1.00 0.00 H new ATOM 561 N ASN A 36 9.187 -11.484 4.623 1.00 0.00 N ATOM 562 CA ASN A 36 8.273 -11.928 5.722 1.00 0.00 C ATOM 563 C ASN A 36 7.385 -10.766 6.147 1.00 0.00 C ATOM 564 O ASN A 36 6.828 -10.769 7.227 1.00 0.00 O ATOM 565 CB ASN A 36 9.134 -12.346 6.922 1.00 0.00 C ATOM 566 CG ASN A 36 10.159 -13.390 6.472 1.00 0.00 C ATOM 567 OD1 ASN A 36 9.975 -14.071 5.482 1.00 0.00 O ATOM 568 ND2 ASN A 36 11.250 -13.546 7.169 1.00 0.00 N ATOM 0 H ASN A 36 10.036 -11.013 4.936 1.00 0.00 H new ATOM 0 HA ASN A 36 7.654 -12.757 5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.643 -11.477 7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.503 -12.756 7.711 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.944 -14.237 6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.410 -12.977 8.001 1.00 0.00 H new ATOM 575 N PHE A 37 7.280 -9.787 5.278 1.00 0.00 N ATOM 576 CA PHE A 37 6.441 -8.600 5.591 1.00 0.00 C ATOM 577 C PHE A 37 6.845 -8.007 6.940 1.00 0.00 C ATOM 578 O PHE A 37 6.140 -7.187 7.504 1.00 0.00 O ATOM 579 CB PHE A 37 4.939 -9.034 5.594 1.00 0.00 C ATOM 580 CG PHE A 37 4.355 -8.788 4.196 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.147 -7.495 3.746 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.081 -9.847 3.349 1.00 0.00 C ATOM 583 CE1 PHE A 37 3.679 -7.266 2.472 1.00 0.00 C ATOM 584 CE2 PHE A 37 3.613 -9.613 2.071 1.00 0.00 C ATOM 585 CZ PHE A 37 3.413 -8.321 1.635 1.00 0.00 C ATOM 0 H PHE A 37 7.741 -9.765 4.368 1.00 0.00 H new ATOM 0 HA PHE A 37 6.589 -7.829 4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.850 -10.087 5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.383 -8.468 6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.353 -6.660 4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.234 -10.861 3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.521 -6.254 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.404 -10.443 1.413 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.047 -8.139 0.635 1.00 0.00 H new ATOM 595 N SER A 38 8.004 -8.441 7.411 1.00 0.00 N ATOM 596 CA SER A 38 8.551 -7.957 8.722 1.00 0.00 C ATOM 597 C SER A 38 9.901 -7.302 8.487 1.00 0.00 C ATOM 598 O SER A 38 10.233 -6.316 9.116 1.00 0.00 O ATOM 599 CB SER A 38 8.746 -9.175 9.642 1.00 0.00 C ATOM 600 OG SER A 38 8.959 -8.608 10.927 1.00 0.00 O ATOM 0 H SER A 38 8.596 -9.119 6.931 1.00 0.00 H new ATOM 0 HA SER A 38 7.867 -7.239 9.174 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.871 -9.825 9.633 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.596 -9.780 9.327 1.00 0.00 H new ATOM 0 HG SER A 38 9.092 -9.324 11.583 1.00 0.00 H new ATOM 606 N GLU A 39 10.650 -7.875 7.555 1.00 0.00 N ATOM 607 CA GLU A 39 12.006 -7.338 7.211 1.00 0.00 C ATOM 608 C GLU A 39 11.927 -6.503 5.944 1.00 0.00 C ATOM 609 O GLU A 39 12.625 -5.519 5.788 1.00 0.00 O ATOM 610 CB GLU A 39 12.937 -8.536 6.945 1.00 0.00 C ATOM 611 CG GLU A 39 13.337 -9.169 8.279 1.00 0.00 C ATOM 612 CD GLU A 39 14.404 -10.238 8.031 1.00 0.00 C ATOM 613 OE1 GLU A 39 15.434 -9.860 7.497 1.00 0.00 O ATOM 614 OE2 GLU A 39 14.130 -11.371 8.389 1.00 0.00 O ATOM 0 H GLU A 39 10.370 -8.697 7.020 1.00 0.00 H new ATOM 0 HA GLU A 39 12.377 -6.720 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.433 -9.271 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.825 -8.209 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.721 -8.406 8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.465 -9.613 8.760 1.00 0.00 H new ATOM 621 N PHE A 40 11.072 -6.922 5.065 1.00 0.00 N ATOM 622 CA PHE A 40 10.899 -6.200 3.792 1.00 0.00 C ATOM 623 C PHE A 40 10.127 -4.905 4.003 1.00 0.00 C ATOM 624 O PHE A 40 10.530 -3.868 3.541 1.00 0.00 O ATOM 625 CB PHE A 40 10.115 -7.108 2.850 1.00 0.00 C ATOM 626 CG PHE A 40 9.831 -6.365 1.550 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.872 -5.900 0.769 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.531 -6.138 1.143 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.617 -5.222 -0.395 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.277 -5.462 -0.019 1.00 0.00 C ATOM 631 CZ PHE A 40 9.321 -4.999 -0.792 1.00 0.00 C ATOM 0 H PHE A 40 10.480 -7.745 5.179 1.00 0.00 H new ATOM 0 HA PHE A 40 11.874 -5.947 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.683 -8.016 2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.180 -7.415 3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.893 -6.072 1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.710 -6.496 1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.436 -4.863 -1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.257 -5.291 -0.331 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.120 -4.462 -1.707 1.00 0.00 H new ATOM 641 N SER A 41 8.987 -5.011 4.631 1.00 0.00 N ATOM 642 CA SER A 41 8.177 -3.796 4.885 1.00 0.00 C ATOM 643 C SER A 41 9.029 -2.741 5.577 1.00 0.00 C ATOM 644 O SER A 41 8.729 -1.580 5.528 1.00 0.00 O ATOM 645 CB SER A 41 7.001 -4.176 5.802 1.00 0.00 C ATOM 646 OG SER A 41 6.241 -5.097 5.030 1.00 0.00 O ATOM 0 H SER A 41 8.587 -5.884 4.976 1.00 0.00 H new ATOM 0 HA SER A 41 7.810 -3.395 3.941 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.350 -4.627 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.410 -3.302 6.075 1.00 0.00 H new ATOM 0 HG SER A 41 5.464 -5.394 5.547 1.00 0.00 H new ATOM 652 N LYS A 42 10.073 -3.170 6.238 1.00 0.00 N ATOM 653 CA LYS A 42 10.931 -2.189 6.917 1.00 0.00 C ATOM 654 C LYS A 42 11.602 -1.326 5.855 1.00 0.00 C ATOM 655 O LYS A 42 11.927 -0.173 6.073 1.00 0.00 O ATOM 656 CB LYS A 42 12.001 -2.954 7.724 1.00 0.00 C ATOM 657 CG LYS A 42 12.552 -2.040 8.821 1.00 0.00 C ATOM 658 CD LYS A 42 13.707 -2.750 9.546 1.00 0.00 C ATOM 659 CE LYS A 42 13.212 -4.081 10.140 1.00 0.00 C ATOM 660 NZ LYS A 42 14.059 -4.481 11.295 1.00 0.00 N ATOM 0 H LYS A 42 10.356 -4.146 6.329 1.00 0.00 H new ATOM 0 HA LYS A 42 10.350 -1.558 7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.568 -3.852 8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.807 -3.279 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.902 -1.103 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.763 -1.788 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.526 -2.934 8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.098 -2.111 10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.175 -3.980 10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.237 -4.859 9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.712 -5.381 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.043 -4.597 10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.015 -3.746 12.029 1.00 0.00 H new ATOM 674 N LYS A 43 11.806 -1.933 4.719 1.00 0.00 N ATOM 675 CA LYS A 43 12.435 -1.240 3.600 1.00 0.00 C ATOM 676 C LYS A 43 11.409 -0.364 2.867 1.00 0.00 C ATOM 677 O LYS A 43 11.668 0.790 2.579 1.00 0.00 O ATOM 678 CB LYS A 43 12.958 -2.335 2.643 1.00 0.00 C ATOM 679 CG LYS A 43 14.205 -1.850 1.896 1.00 0.00 C ATOM 680 CD LYS A 43 14.867 -3.058 1.245 1.00 0.00 C ATOM 681 CE LYS A 43 15.957 -2.588 0.282 1.00 0.00 C ATOM 682 NZ LYS A 43 16.781 -3.743 -0.179 1.00 0.00 N ATOM 0 H LYS A 43 11.551 -2.903 4.532 1.00 0.00 H new ATOM 0 HA LYS A 43 13.239 -0.592 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.194 -3.237 3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.180 -2.602 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.933 -1.112 1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.895 -1.363 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.297 -3.705 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.124 -3.648 0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.503 -2.092 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.594 -1.853 0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.692 -3.397 -0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.948 -4.390 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.278 -4.248 -0.936 1.00 0.00 H new ATOM 696 N CYS A 44 10.252 -0.930 2.580 1.00 0.00 N ATOM 697 CA CYS A 44 9.228 -0.142 1.876 1.00 0.00 C ATOM 698 C CYS A 44 8.722 0.989 2.744 1.00 0.00 C ATOM 699 O CYS A 44 8.413 2.056 2.255 1.00 0.00 O ATOM 700 CB CYS A 44 8.079 -1.068 1.529 1.00 0.00 C ATOM 701 SG CYS A 44 8.492 -2.618 0.710 1.00 0.00 S ATOM 0 H CYS A 44 9.993 -1.890 2.807 1.00 0.00 H new ATOM 0 HA CYS A 44 9.661 0.294 0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.545 -1.304 2.449 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.386 -0.522 0.889 1.00 0.00 H new ATOM 0 HG CYS A 44 8.153 -3.615 1.472 1.00 0.00 H new ATOM 707 N SER A 45 8.637 0.736 4.015 1.00 0.00 N ATOM 708 CA SER A 45 8.150 1.803 4.929 1.00 0.00 C ATOM 709 C SER A 45 9.048 3.003 4.787 1.00 0.00 C ATOM 710 O SER A 45 8.592 4.112 4.645 1.00 0.00 O ATOM 711 CB SER A 45 8.209 1.312 6.388 1.00 0.00 C ATOM 712 OG SER A 45 9.516 0.811 6.535 1.00 0.00 O ATOM 0 H SER A 45 8.879 -0.150 4.458 1.00 0.00 H new ATOM 0 HA SER A 45 7.121 2.059 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.013 2.124 7.089 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.464 0.540 6.578 1.00 0.00 H new ATOM 0 HG SER A 45 9.530 -0.141 6.302 1.00 0.00 H new ATOM 718 N GLU A 46 10.322 2.760 4.827 1.00 0.00 N ATOM 719 CA GLU A 46 11.263 3.879 4.692 1.00 0.00 C ATOM 720 C GLU A 46 11.104 4.502 3.310 1.00 0.00 C ATOM 721 O GLU A 46 11.517 5.622 3.080 1.00 0.00 O ATOM 722 CB GLU A 46 12.692 3.327 4.848 1.00 0.00 C ATOM 723 CG GLU A 46 13.647 4.474 5.173 1.00 0.00 C ATOM 724 CD GLU A 46 15.062 3.916 5.332 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.571 3.440 4.332 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.552 3.995 6.448 1.00 0.00 O ATOM 0 H GLU A 46 10.744 1.839 4.947 1.00 0.00 H new ATOM 0 HA GLU A 46 11.068 4.637 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.720 2.580 5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.003 2.829 3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.624 5.220 4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.335 4.975 6.089 1.00 0.00 H new ATOM 733 N ARG A 47 10.483 3.738 2.415 1.00 0.00 N ATOM 734 CA ARG A 47 10.256 4.212 1.015 1.00 0.00 C ATOM 735 C ARG A 47 8.850 4.834 0.853 1.00 0.00 C ATOM 736 O ARG A 47 8.525 5.353 -0.200 1.00 0.00 O ATOM 737 CB ARG A 47 10.390 2.987 0.069 1.00 0.00 C ATOM 738 CG ARG A 47 10.843 3.456 -1.324 1.00 0.00 C ATOM 739 CD ARG A 47 11.139 2.228 -2.188 1.00 0.00 C ATOM 740 NE ARG A 47 12.359 1.553 -1.659 1.00 0.00 N ATOM 741 CZ ARG A 47 12.673 0.361 -2.090 1.00 0.00 C ATOM 742 NH1 ARG A 47 11.905 -0.212 -2.974 1.00 0.00 N ATOM 743 NH2 ARG A 47 13.747 -0.215 -1.623 1.00 0.00 N ATOM 0 H ARG A 47 10.127 2.802 2.610 1.00 0.00 H new ATOM 0 HA ARG A 47 10.990 4.980 0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.110 2.277 0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.436 2.466 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.067 4.065 -1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.732 4.082 -1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.292 1.543 -2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.291 2.524 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 47 12.944 2.019 -0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.075 0.271 -3.318 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.135 -1.143 -3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.325 0.266 -0.933 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.009 -1.146 -1.948 1.00 0.00 H new ATOM 757 N TRP A 48 8.048 4.733 1.903 1.00 0.00 N ATOM 758 CA TRP A 48 6.646 5.299 1.885 1.00 0.00 C ATOM 759 C TRP A 48 6.587 6.525 2.792 1.00 0.00 C ATOM 760 O TRP A 48 6.216 7.601 2.362 1.00 0.00 O ATOM 761 CB TRP A 48 5.715 4.193 2.419 1.00 0.00 C ATOM 762 CG TRP A 48 4.415 4.764 3.008 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.258 5.015 4.284 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.276 4.874 2.364 1.00 0.00 C ATOM 765 NE1 TRP A 48 2.941 5.262 4.405 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.248 5.190 3.225 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.020 4.715 1.030 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.962 5.329 2.759 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.719 4.863 0.553 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.694 5.167 1.430 1.00 0.00 C ATOM 0 H TRP A 48 8.309 4.279 2.778 1.00 0.00 H new ATOM 0 HA TRP A 48 6.347 5.603 0.882 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.473 3.502 1.611 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.237 3.619 3.184 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.011 5.022 5.059 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.497 5.483 5.296 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.823 4.476 0.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.163 5.567 3.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.512 4.740 -0.500 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.316 5.276 1.065 1.00 0.00 H new ATOM 781 N LYS A 49 6.939 6.322 4.032 1.00 0.00 N ATOM 782 CA LYS A 49 6.925 7.459 5.017 1.00 0.00 C ATOM 783 C LYS A 49 7.687 8.649 4.447 1.00 0.00 C ATOM 784 O LYS A 49 7.585 9.757 4.931 1.00 0.00 O ATOM 785 CB LYS A 49 7.675 7.040 6.313 1.00 0.00 C ATOM 786 CG LYS A 49 7.018 5.813 6.963 1.00 0.00 C ATOM 787 CD LYS A 49 7.915 5.293 8.107 1.00 0.00 C ATOM 788 CE LYS A 49 8.287 6.440 9.059 1.00 0.00 C ATOM 789 NZ LYS A 49 9.429 7.224 8.508 1.00 0.00 N ATOM 0 H LYS A 49 7.236 5.423 4.412 1.00 0.00 H new ATOM 0 HA LYS A 49 5.885 7.715 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.716 6.817 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.679 7.871 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.034 6.077 7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.869 5.030 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.395 4.509 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.820 4.847 7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.427 7.093 9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.552 6.038 10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.145 7.362 9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.852 6.708 7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.088 8.150 8.180 1.00 0.00 H new ATOM 803 N THR A 50 8.434 8.379 3.423 1.00 0.00 N ATOM 804 CA THR A 50 9.230 9.433 2.774 1.00 0.00 C ATOM 805 C THR A 50 8.388 10.360 1.925 1.00 0.00 C ATOM 806 O THR A 50 8.601 11.557 1.912 1.00 0.00 O ATOM 807 CB THR A 50 10.223 8.738 1.863 1.00 0.00 C ATOM 808 OG1 THR A 50 10.811 9.767 1.092 1.00 0.00 O ATOM 809 CG2 THR A 50 9.483 7.859 0.844 1.00 0.00 C ATOM 0 H THR A 50 8.525 7.454 3.004 1.00 0.00 H new ATOM 0 HA THR A 50 9.705 10.036 3.548 1.00 0.00 H new ATOM 0 HB THR A 50 10.921 8.143 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.470 9.380 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.207 7.365 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.896 7.107 1.371 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.820 8.480 0.241 1.00 0.00 H new ATOM 817 N MET A 51 7.463 9.795 1.223 1.00 0.00 N ATOM 818 CA MET A 51 6.594 10.624 0.363 1.00 0.00 C ATOM 819 C MET A 51 5.907 11.721 1.152 1.00 0.00 C ATOM 820 O MET A 51 5.976 11.747 2.367 1.00 0.00 O ATOM 821 CB MET A 51 5.541 9.712 -0.270 1.00 0.00 C ATOM 822 CG MET A 51 6.247 8.613 -1.079 1.00 0.00 C ATOM 823 SD MET A 51 5.281 7.766 -2.363 1.00 0.00 S ATOM 824 CE MET A 51 4.240 6.733 -1.287 1.00 0.00 C ATOM 0 H MET A 51 7.269 8.794 1.206 1.00 0.00 H new ATOM 0 HA MET A 51 7.207 11.104 -0.400 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.916 9.266 0.504 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.883 10.291 -0.917 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.123 9.055 -1.554 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.609 7.860 -0.379 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.315 5.691 -1.599 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.577 6.828 -0.255 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.203 7.060 -1.362 1.00 0.00 H new ATOM 834 N SER A 52 5.227 12.600 0.443 1.00 0.00 N ATOM 835 CA SER A 52 4.517 13.718 1.130 1.00 0.00 C ATOM 836 C SER A 52 3.119 13.289 1.514 1.00 0.00 C ATOM 837 O SER A 52 2.876 12.840 2.616 1.00 0.00 O ATOM 838 CB SER A 52 4.423 14.898 0.141 1.00 0.00 C ATOM 839 OG SER A 52 5.769 15.325 -0.020 1.00 0.00 O ATOM 0 H SER A 52 5.138 12.586 -0.573 1.00 0.00 H new ATOM 0 HA SER A 52 5.059 14.003 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.987 14.588 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.795 15.698 0.534 1.00 0.00 H new ATOM 0 HG SER A 52 5.800 16.081 -0.643 1.00 0.00 H new ATOM 845 N ALA A 53 2.232 13.434 0.588 1.00 0.00 N ATOM 846 CA ALA A 53 0.843 13.053 0.827 1.00 0.00 C ATOM 847 C ALA A 53 0.150 12.921 -0.499 1.00 0.00 C ATOM 848 O ALA A 53 -0.809 12.188 -0.639 1.00 0.00 O ATOM 849 CB ALA A 53 0.154 14.134 1.651 1.00 0.00 C ATOM 0 H ALA A 53 2.422 13.809 -0.341 1.00 0.00 H new ATOM 0 HA ALA A 53 0.802 12.108 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.883 13.850 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.669 14.248 2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.183 15.079 1.108 1.00 0.00 H new ATOM 855 N LYS A 54 0.652 13.644 -1.466 1.00 0.00 N ATOM 856 CA LYS A 54 0.047 13.579 -2.800 1.00 0.00 C ATOM 857 C LYS A 54 0.208 12.174 -3.339 1.00 0.00 C ATOM 858 O LYS A 54 -0.729 11.589 -3.869 1.00 0.00 O ATOM 859 CB LYS A 54 0.772 14.573 -3.725 1.00 0.00 C ATOM 860 CG LYS A 54 2.262 14.208 -3.808 1.00 0.00 C ATOM 861 CD LYS A 54 3.054 15.420 -4.309 1.00 0.00 C ATOM 862 CE LYS A 54 4.521 15.024 -4.472 1.00 0.00 C ATOM 863 NZ LYS A 54 4.685 14.101 -5.630 1.00 0.00 N ATOM 0 H LYS A 54 1.452 14.270 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.012 13.834 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.326 14.551 -4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.657 15.588 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.628 13.900 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.404 13.363 -4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.650 15.767 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.963 16.246 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.130 15.915 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.877 14.542 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.114 13.211 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.755 13.904 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.301 14.543 -6.342 1.00 0.00 H new ATOM 877 N GLU A 55 1.400 11.627 -3.187 1.00 0.00 N ATOM 878 CA GLU A 55 1.606 10.261 -3.693 1.00 0.00 C ATOM 879 C GLU A 55 0.852 9.315 -2.799 1.00 0.00 C ATOM 880 O GLU A 55 0.115 8.465 -3.250 1.00 0.00 O ATOM 881 CB GLU A 55 3.102 9.916 -3.639 1.00 0.00 C ATOM 882 CG GLU A 55 3.908 11.035 -4.308 1.00 0.00 C ATOM 883 CD GLU A 55 5.310 10.520 -4.646 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.375 9.649 -5.499 1.00 0.00 O ATOM 885 OE2 GLU A 55 6.237 11.025 -4.033 1.00 0.00 O ATOM 0 H GLU A 55 2.206 12.068 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 55 1.255 10.182 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.421 9.792 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.286 8.968 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.403 11.370 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.975 11.897 -3.644 1.00 0.00 H new ATOM 892 N LYS A 56 1.025 9.494 -1.530 1.00 0.00 N ATOM 893 CA LYS A 56 0.327 8.617 -0.597 1.00 0.00 C ATOM 894 C LYS A 56 -1.167 8.892 -0.722 1.00 0.00 C ATOM 895 O LYS A 56 -1.985 8.251 -0.098 1.00 0.00 O ATOM 896 CB LYS A 56 0.783 8.945 0.844 1.00 0.00 C ATOM 897 CG LYS A 56 2.326 9.089 0.893 1.00 0.00 C ATOM 898 CD LYS A 56 2.773 9.573 2.309 1.00 0.00 C ATOM 899 CE LYS A 56 3.044 8.371 3.232 1.00 0.00 C ATOM 900 NZ LYS A 56 1.763 7.780 3.710 1.00 0.00 N ATOM 0 H LYS A 56 1.618 10.209 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 56 0.544 7.572 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.313 9.868 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.461 8.156 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.796 8.133 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.657 9.799 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.672 10.183 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.999 10.205 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.622 7.617 2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.645 8.688 4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.762 7.748 4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.967 8.363 3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.664 6.816 3.334 1.00 0.00 H new ATOM 914 N GLY A 57 -1.474 9.869 -1.552 1.00 0.00 N ATOM 915 CA GLY A 57 -2.897 10.260 -1.781 1.00 0.00 C ATOM 916 C GLY A 57 -3.637 9.260 -2.679 1.00 0.00 C ATOM 917 O GLY A 57 -4.659 8.738 -2.292 1.00 0.00 O ATOM 0 H GLY A 57 -0.791 10.412 -2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.410 10.333 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.931 11.249 -2.237 1.00 0.00 H new ATOM 921 N LYS A 58 -3.134 9.011 -3.869 1.00 0.00 N ATOM 922 CA LYS A 58 -3.859 8.044 -4.728 1.00 0.00 C ATOM 923 C LYS A 58 -3.764 6.654 -4.119 1.00 0.00 C ATOM 924 O LYS A 58 -4.457 5.742 -4.529 1.00 0.00 O ATOM 925 CB LYS A 58 -3.261 8.053 -6.154 1.00 0.00 C ATOM 926 CG LYS A 58 -1.729 7.795 -6.100 1.00 0.00 C ATOM 927 CD LYS A 58 -1.411 6.382 -6.579 1.00 0.00 C ATOM 928 CE LYS A 58 0.093 6.184 -6.506 1.00 0.00 C ATOM 929 NZ LYS A 58 0.476 4.861 -7.073 1.00 0.00 N ATOM 0 H LYS A 58 -2.287 9.421 -4.262 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.909 8.331 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.744 7.288 -6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.458 9.013 -6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.209 8.523 -6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.367 7.931 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.922 5.646 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.764 6.238 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.597 6.980 -7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.424 6.251 -5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.876 4.264 -6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.365 4.398 -7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.185 4.996 -7.822 1.00 0.00 H new ATOM 943 N PHE A 59 -2.898 6.527 -3.124 1.00 0.00 N ATOM 944 CA PHE A 59 -2.730 5.204 -2.449 1.00 0.00 C ATOM 945 C PHE A 59 -3.774 5.133 -1.361 1.00 0.00 C ATOM 946 O PHE A 59 -4.268 4.078 -1.016 1.00 0.00 O ATOM 947 CB PHE A 59 -1.326 5.135 -1.788 1.00 0.00 C ATOM 948 CG PHE A 59 -0.296 4.530 -2.758 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.478 3.259 -3.285 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.851 5.232 -3.091 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.467 2.714 -4.125 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.791 4.680 -3.930 1.00 0.00 C ATOM 953 CZ PHE A 59 1.599 3.421 -4.447 1.00 0.00 C ATOM 0 H PHE A 59 -2.312 7.279 -2.761 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.833 4.387 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.009 6.135 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.375 4.533 -0.881 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.365 2.695 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.009 6.222 -2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.317 1.725 -4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.681 5.237 -4.183 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.338 2.988 -5.106 1.00 0.00 H new ATOM 963 N GLU A 60 -4.089 6.292 -0.844 1.00 0.00 N ATOM 964 CA GLU A 60 -5.090 6.376 0.220 1.00 0.00 C ATOM 965 C GLU A 60 -6.441 6.094 -0.392 1.00 0.00 C ATOM 966 O GLU A 60 -7.373 5.707 0.278 1.00 0.00 O ATOM 967 CB GLU A 60 -5.052 7.833 0.806 1.00 0.00 C ATOM 968 CG GLU A 60 -4.405 7.832 2.205 1.00 0.00 C ATOM 969 CD GLU A 60 -5.440 7.390 3.248 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.417 8.108 3.377 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.192 6.361 3.854 1.00 0.00 O ATOM 0 H GLU A 60 -3.683 7.184 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.894 5.659 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.489 8.486 0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.064 8.234 0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.548 7.159 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.033 8.828 2.446 1.00 0.00 H new ATOM 978 N ASP A 61 -6.503 6.290 -1.677 1.00 0.00 N ATOM 979 CA ASP A 61 -7.766 6.051 -2.397 1.00 0.00 C ATOM 980 C ASP A 61 -7.950 4.569 -2.660 1.00 0.00 C ATOM 981 O ASP A 61 -9.046 4.052 -2.565 1.00 0.00 O ATOM 982 CB ASP A 61 -7.685 6.792 -3.735 1.00 0.00 C ATOM 983 CG ASP A 61 -9.021 6.663 -4.469 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.237 5.594 -5.017 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.751 7.640 -4.437 1.00 0.00 O ATOM 0 H ASP A 61 -5.726 6.607 -2.256 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.608 6.405 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.450 7.843 -3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.881 6.378 -4.344 1.00 0.00 H new ATOM 990 N MET A 62 -6.876 3.902 -2.994 1.00 0.00 N ATOM 991 CA MET A 62 -6.995 2.462 -3.257 1.00 0.00 C ATOM 992 C MET A 62 -7.371 1.741 -1.984 1.00 0.00 C ATOM 993 O MET A 62 -8.266 0.928 -1.976 1.00 0.00 O ATOM 994 CB MET A 62 -5.643 1.923 -3.778 1.00 0.00 C ATOM 995 CG MET A 62 -5.426 2.375 -5.240 1.00 0.00 C ATOM 996 SD MET A 62 -4.202 1.467 -6.218 1.00 0.00 S ATOM 997 CE MET A 62 -2.756 1.912 -5.234 1.00 0.00 C ATOM 0 H MET A 62 -5.940 4.296 -3.092 1.00 0.00 H new ATOM 0 HA MET A 62 -7.768 2.293 -4.006 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.830 2.288 -3.151 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.628 0.835 -3.718 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.383 2.314 -5.757 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.136 3.426 -5.229 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.857 1.526 -5.713 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.688 2.997 -5.157 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.848 1.482 -4.236 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.680 2.041 -0.925 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.013 1.368 0.343 1.00 0.00 C ATOM 1009 C ALA A 63 -8.465 1.672 0.709 1.00 0.00 C ATOM 1010 O ALA A 63 -9.124 0.880 1.355 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.070 1.888 1.450 1.00 0.00 C ATOM 0 H ALA A 63 -5.913 2.712 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.889 0.290 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.309 1.395 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.037 1.671 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.198 2.965 1.561 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.938 2.827 0.284 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.339 3.202 0.592 1.00 0.00 C ATOM 1019 C LYS A 64 -11.286 2.460 -0.349 1.00 0.00 C ATOM 1020 O LYS A 64 -12.423 2.195 -0.013 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.505 4.731 0.395 1.00 0.00 C ATOM 1022 CG LYS A 64 -10.092 5.462 1.681 1.00 0.00 C ATOM 1023 CD LYS A 64 -10.078 6.973 1.417 1.00 0.00 C ATOM 1024 CE LYS A 64 -9.627 7.704 2.687 1.00 0.00 C ATOM 1025 NZ LYS A 64 -9.251 9.114 2.374 1.00 0.00 N ATOM 0 H LYS A 64 -8.411 3.512 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.575 2.934 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.892 5.069 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.540 4.966 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.788 5.227 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.106 5.127 2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.404 7.204 0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.071 7.312 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.429 7.691 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.777 7.185 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.242 9.259 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.427 9.305 1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.821 9.762 2.954 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.796 2.137 -1.517 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.647 1.422 -2.477 1.00 0.00 C ATOM 1041 C ALA A 65 -11.818 0.001 -2.029 1.00 0.00 C ATOM 1042 O ALA A 65 -12.902 -0.541 -2.062 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.969 1.442 -3.856 1.00 0.00 C ATOM 0 H ALA A 65 -9.848 2.341 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.623 1.904 -2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.593 0.913 -4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.835 2.474 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.997 0.953 -3.791 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.742 -0.579 -1.609 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.813 -1.968 -1.149 1.00 0.00 C ATOM 1051 C ASP A 66 -11.674 -2.029 0.097 1.00 0.00 C ATOM 1052 O ASP A 66 -12.365 -3.001 0.330 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.386 -2.459 -0.823 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.358 -3.987 -0.861 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -10.158 -4.560 -0.140 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.542 -4.496 -1.611 1.00 0.00 O ATOM 0 H ASP A 66 -9.819 -0.147 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.248 -2.602 -1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.676 -2.053 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.082 -2.102 0.161 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.605 -0.980 0.886 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.410 -0.941 2.122 1.00 0.00 C ATOM 1063 C LYS A 67 -13.870 -1.192 1.788 1.00 0.00 C ATOM 1064 O LYS A 67 -14.570 -1.871 2.514 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.277 0.459 2.756 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.777 0.412 4.201 1.00 0.00 C ATOM 1067 CD LYS A 67 -12.935 1.843 4.722 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.523 1.811 6.138 1.00 0.00 C ATOM 1069 NZ LYS A 67 -14.991 1.554 6.086 1.00 0.00 N ATOM 0 H LYS A 67 -11.024 -0.159 0.717 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.058 -1.706 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.237 0.785 2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.853 1.186 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.730 -0.114 4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.074 -0.140 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.969 2.347 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.586 2.413 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.032 1.035 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.331 2.759 6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.389 1.619 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.446 2.261 5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.164 0.602 5.704 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.309 -0.632 0.684 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.715 -0.828 0.287 1.00 0.00 C ATOM 1085 C ALA A 68 -15.938 -2.236 -0.247 1.00 0.00 C ATOM 1086 O ALA A 68 -16.969 -2.827 -0.024 1.00 0.00 O ATOM 1087 CB ALA A 68 -16.060 0.188 -0.816 1.00 0.00 C ATOM 0 H ALA A 68 -13.750 -0.055 0.055 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.352 -0.684 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -17.098 0.056 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.920 1.200 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.407 0.029 -1.674 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.964 -2.747 -0.937 1.00 0.00 N ATOM 1094 CA ARG A 69 -15.111 -4.118 -1.492 1.00 0.00 C ATOM 1095 C ARG A 69 -15.090 -5.153 -0.375 1.00 0.00 C ATOM 1096 O ARG A 69 -15.627 -6.234 -0.515 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.931 -4.399 -2.444 1.00 0.00 C ATOM 1098 CG ARG A 69 -14.006 -3.454 -3.661 1.00 0.00 C ATOM 1099 CD ARG A 69 -15.324 -3.683 -4.434 1.00 0.00 C ATOM 1100 NE ARG A 69 -16.343 -2.720 -3.930 1.00 0.00 N ATOM 1101 CZ ARG A 69 -17.546 -2.731 -4.437 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -17.826 -3.590 -5.379 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -18.428 -1.883 -3.983 1.00 0.00 N ATOM 0 H ARG A 69 -14.079 -2.282 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 69 -16.061 -4.184 -2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.986 -4.257 -1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.958 -5.437 -2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.946 -2.417 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.155 -3.629 -4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.165 -3.541 -5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.670 -4.707 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.102 -2.056 -3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -17.110 -4.238 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -18.761 -3.613 -5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.172 -1.227 -3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.373 -1.876 -4.366 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.468 -4.800 0.715 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.394 -5.742 1.858 1.00 0.00 C ATOM 1119 C TYR A 70 -15.708 -5.757 2.627 1.00 0.00 C ATOM 1120 O TYR A 70 -16.176 -6.796 3.046 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.277 -5.268 2.801 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.152 -6.243 3.971 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -12.389 -7.384 3.853 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -13.804 -5.994 5.161 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -12.276 -8.264 4.910 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -13.692 -6.873 6.218 1.00 0.00 C ATOM 1127 CZ TYR A 70 -12.927 -8.014 6.101 1.00 0.00 C ATOM 1128 OH TYR A 70 -12.816 -8.893 7.157 1.00 0.00 O ATOM 0 H TYR A 70 -14.009 -3.901 0.861 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.194 -6.746 1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.332 -5.207 2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.498 -4.266 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.875 -7.591 2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.407 -5.104 5.266 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.674 -9.154 4.804 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -14.207 -6.666 7.144 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.338 -8.560 7.916 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.282 -4.596 2.797 1.00 0.00 N ATOM 1139 CA GLU A 71 -17.558 -4.518 3.531 1.00 0.00 C ATOM 1140 C GLU A 71 -18.716 -5.016 2.676 1.00 0.00 C ATOM 1141 O GLU A 71 -19.481 -5.852 3.098 1.00 0.00 O ATOM 1142 CB GLU A 71 -17.810 -3.047 3.888 1.00 0.00 C ATOM 1143 CG GLU A 71 -16.835 -2.625 4.982 1.00 0.00 C ATOM 1144 CD GLU A 71 -17.277 -3.235 6.312 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -18.373 -2.893 6.726 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -16.497 -4.011 6.840 1.00 0.00 O ATOM 0 H GLU A 71 -15.917 -3.706 2.457 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.495 -5.142 4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.681 -2.419 3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.837 -2.913 4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.826 -2.956 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.804 -1.538 5.059 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.817 -4.478 1.490 1.00 0.00 N ATOM 1154 CA ARG A 72 -19.918 -4.896 0.568 1.00 0.00 C ATOM 1155 C ARG A 72 -20.018 -6.412 0.458 1.00 0.00 C ATOM 1156 O ARG A 72 -21.097 -6.959 0.362 1.00 0.00 O ATOM 1157 CB ARG A 72 -19.617 -4.318 -0.832 1.00 0.00 C ATOM 1158 CG ARG A 72 -20.873 -4.421 -1.732 1.00 0.00 C ATOM 1159 CD ARG A 72 -21.782 -3.204 -1.499 1.00 0.00 C ATOM 1160 NE ARG A 72 -22.922 -3.262 -2.460 1.00 0.00 N ATOM 1161 CZ ARG A 72 -22.736 -2.906 -3.703 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -21.549 -2.509 -4.077 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -23.743 -2.963 -4.531 1.00 0.00 N ATOM 0 H ARG A 72 -18.186 -3.768 1.118 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.863 -4.523 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.307 -3.277 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -18.788 -4.860 -1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -20.578 -4.470 -2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -21.416 -5.340 -1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -22.153 -3.201 -0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -21.219 -2.281 -1.637 1.00 0.00 H new ATOM 0 HE ARG A 72 -23.841 -3.578 -2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.785 -2.481 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.387 -2.228 -5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -24.655 -3.281 -4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -23.618 -2.689 -5.506 1.00 0.00 H new ATOM 1177 N GLU A 73 -18.890 -7.060 0.492 1.00 0.00 N ATOM 1178 CA GLU A 73 -18.882 -8.550 0.390 1.00 0.00 C ATOM 1179 C GLU A 73 -19.150 -9.196 1.748 1.00 0.00 C ATOM 1180 O GLU A 73 -19.777 -10.232 1.833 1.00 0.00 O ATOM 1181 CB GLU A 73 -17.487 -8.987 -0.099 1.00 0.00 C ATOM 1182 CG GLU A 73 -17.370 -8.710 -1.598 1.00 0.00 C ATOM 1183 CD GLU A 73 -15.996 -9.166 -2.091 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -15.874 -10.358 -2.322 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -15.148 -8.298 -2.207 1.00 0.00 O ATOM 0 H GLU A 73 -17.972 -6.626 0.586 1.00 0.00 H new ATOM 0 HA GLU A 73 -19.664 -8.864 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.712 -8.446 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.335 -10.048 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.156 -9.236 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.505 -7.646 -1.794 1.00 0.00 H new ATOM 1192 N MET A 74 -18.671 -8.568 2.783 1.00 0.00 N ATOM 1193 CA MET A 74 -18.880 -9.118 4.132 1.00 0.00 C ATOM 1194 C MET A 74 -20.350 -9.097 4.533 1.00 0.00 C ATOM 1195 O MET A 74 -20.838 -10.015 5.159 1.00 0.00 O ATOM 1196 CB MET A 74 -18.076 -8.251 5.116 1.00 0.00 C ATOM 1197 CG MET A 74 -18.347 -8.719 6.552 1.00 0.00 C ATOM 1198 SD MET A 74 -18.561 -10.494 6.826 1.00 0.00 S ATOM 1199 CE MET A 74 -16.866 -10.985 6.441 1.00 0.00 C ATOM 0 H MET A 74 -18.144 -7.696 2.744 1.00 0.00 H new ATOM 0 HA MET A 74 -18.552 -10.157 4.147 1.00 0.00 H new ATOM 0 HB2 MET A 74 -17.011 -8.323 4.894 1.00 0.00 H new ATOM 0 HB3 MET A 74 -18.355 -7.203 5.005 1.00 0.00 H new ATOM 0 HG2 MET A 74 -17.522 -8.379 7.178 1.00 0.00 H new ATOM 0 HG3 MET A 74 -19.245 -8.213 6.907 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.708 -12.019 6.749 1.00 0.00 H new ATOM 0 HE2 MET A 74 -16.696 -10.896 5.368 1.00 0.00 H new ATOM 0 HE3 MET A 74 -16.170 -10.337 6.974 1.00 0.00 H new ATOM 1209 N LYS A 75 -21.024 -8.061 4.156 1.00 0.00 N ATOM 1210 CA LYS A 75 -22.459 -7.946 4.498 1.00 0.00 C ATOM 1211 C LYS A 75 -23.324 -8.814 3.591 1.00 0.00 C ATOM 1212 O LYS A 75 -24.526 -8.633 3.533 1.00 0.00 O ATOM 1213 CB LYS A 75 -22.877 -6.479 4.321 1.00 0.00 C ATOM 1214 CG LYS A 75 -22.106 -5.608 5.322 1.00 0.00 C ATOM 1215 CD LYS A 75 -22.762 -4.219 5.406 1.00 0.00 C ATOM 1216 CE LYS A 75 -22.930 -3.640 3.993 1.00 0.00 C ATOM 1217 NZ LYS A 75 -23.090 -2.160 4.052 1.00 0.00 N ATOM 0 H LYS A 75 -20.642 -7.281 3.621 1.00 0.00 H new ATOM 0 HA LYS A 75 -22.601 -8.282 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -22.672 -6.151 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -23.950 -6.373 4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -22.103 -6.080 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -21.066 -5.512 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -23.732 -4.293 5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.149 -3.552 6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -22.063 -3.894 3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.800 -4.087 3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -23.202 -1.784 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -23.931 -1.924 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.248 -1.737 4.492 1.00 0.00 H new ATOM 1231 N THR A 76 -22.689 -9.740 2.884 1.00 0.00 N ATOM 1232 CA THR A 76 -23.459 -10.647 1.959 1.00 0.00 C ATOM 1233 C THR A 76 -22.857 -12.051 1.913 1.00 0.00 C ATOM 1234 O THR A 76 -23.422 -12.941 1.309 1.00 0.00 O ATOM 1235 CB THR A 76 -23.402 -10.051 0.551 1.00 0.00 C ATOM 1236 OG1 THR A 76 -22.027 -9.947 0.244 1.00 0.00 O ATOM 1237 CG2 THR A 76 -23.909 -8.605 0.550 1.00 0.00 C ATOM 0 H THR A 76 -21.682 -9.902 2.910 1.00 0.00 H new ATOM 0 HA THR A 76 -24.483 -10.726 2.325 1.00 0.00 H new ATOM 0 HB THR A 76 -23.991 -10.662 -0.133 1.00 0.00 H new ATOM 0 HG1 THR A 76 -21.497 -10.216 1.023 1.00 0.00 H new ATOM 0 HG21 THR A 76 -23.859 -8.203 -0.462 1.00 0.00 H new ATOM 0 HG22 THR A 76 -24.941 -8.581 0.899 1.00 0.00 H new ATOM 0 HG23 THR A 76 -23.288 -8.001 1.212 1.00 0.00 H new ATOM 1245 N TYR A 77 -21.725 -12.232 2.553 1.00 0.00 N ATOM 1246 CA TYR A 77 -21.091 -13.576 2.546 1.00 0.00 C ATOM 1247 C TYR A 77 -21.824 -14.506 3.522 1.00 0.00 C ATOM 1248 O TYR A 77 -22.872 -15.012 3.196 1.00 0.00 O ATOM 1249 CB TYR A 77 -19.612 -13.413 2.971 1.00 0.00 C ATOM 1250 CG TYR A 77 -18.886 -14.758 2.844 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -18.777 -15.383 1.617 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -18.335 -15.369 3.953 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -18.133 -16.596 1.504 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -17.690 -16.583 3.836 1.00 0.00 C ATOM 1255 CZ TYR A 77 -17.586 -17.205 2.610 1.00 0.00 C ATOM 1256 OH TYR A 77 -16.954 -18.424 2.493 1.00 0.00 O ATOM 0 H TYR A 77 -21.223 -11.512 3.072 1.00 0.00 H new ATOM 0 HA TYR A 77 -21.147 -14.015 1.550 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -19.124 -12.665 2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -19.556 -13.054 3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -19.200 -14.917 0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -18.410 -14.893 4.919 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -18.057 -17.073 0.538 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.263 -17.050 4.712 1.00 0.00 H new ATOM 0 HH TYR A 77 -16.626 -18.708 3.372 1.00 0.00 H new ATOM 1266 N ILE A 78 -21.257 -14.692 4.698 1.00 0.00 N ATOM 1267 CA ILE A 78 -21.892 -15.586 5.735 1.00 0.00 C ATOM 1268 C ILE A 78 -22.365 -16.962 5.144 1.00 0.00 C ATOM 1269 O ILE A 78 -23.474 -17.080 4.658 1.00 0.00 O ATOM 1270 CB ILE A 78 -23.119 -14.837 6.311 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -22.642 -13.640 7.157 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -23.940 -15.810 7.233 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -21.892 -12.624 6.271 1.00 0.00 C ATOM 0 H ILE A 78 -20.378 -14.262 4.986 1.00 0.00 H new ATOM 0 HA ILE A 78 -21.148 -15.807 6.500 1.00 0.00 H new ATOM 0 HB ILE A 78 -23.743 -14.486 5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -23.497 -13.158 7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -21.988 -13.988 7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -24.804 -15.284 7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -24.278 -16.666 6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -23.308 -16.156 8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -21.561 -11.784 6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -21.026 -13.106 5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -22.558 -12.263 5.488 1.00 0.00 H new ATOM 1285 N PRO A 79 -21.523 -18.002 5.231 1.00 0.00 N ATOM 1286 CA PRO A 79 -21.898 -19.312 4.699 1.00 0.00 C ATOM 1287 C PRO A 79 -23.094 -19.908 5.485 1.00 0.00 C ATOM 1288 O PRO A 79 -23.456 -19.407 6.531 1.00 0.00 O ATOM 1289 CB PRO A 79 -20.622 -20.202 4.882 1.00 0.00 C ATOM 1290 CG PRO A 79 -19.521 -19.294 5.530 1.00 0.00 C ATOM 1291 CD PRO A 79 -20.188 -17.937 5.856 1.00 0.00 C ATOM 0 HA PRO A 79 -22.214 -19.252 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -20.838 -21.060 5.518 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -20.284 -20.594 3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -19.124 -19.755 6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.683 -19.157 4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -20.264 -17.784 6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.606 -17.106 5.457 1.00 0.00 H new ATOM 1299 N PRO A 80 -23.689 -20.977 4.951 1.00 0.00 N ATOM 1300 CA PRO A 80 -24.822 -21.616 5.609 1.00 0.00 C ATOM 1301 C PRO A 80 -24.392 -22.238 6.938 1.00 0.00 C ATOM 1302 O PRO A 80 -23.335 -21.935 7.459 1.00 0.00 O ATOM 1303 CB PRO A 80 -25.285 -22.736 4.617 1.00 0.00 C ATOM 1304 CG PRO A 80 -24.217 -22.804 3.478 1.00 0.00 C ATOM 1305 CD PRO A 80 -23.271 -21.594 3.676 1.00 0.00 C ATOM 0 HA PRO A 80 -25.616 -20.904 5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -25.366 -23.695 5.128 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -26.270 -22.508 4.210 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -23.661 -23.740 3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -24.694 -22.765 2.499 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -22.229 -21.912 3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -23.358 -20.888 2.850 1.00 0.00 H new ATOM 1313 N LYS A 81 -25.222 -23.100 7.445 1.00 0.00 N ATOM 1314 CA LYS A 81 -24.911 -23.768 8.733 1.00 0.00 C ATOM 1315 C LYS A 81 -23.973 -24.940 8.513 1.00 0.00 C ATOM 1316 O LYS A 81 -24.015 -25.921 9.231 1.00 0.00 O ATOM 1317 CB LYS A 81 -26.225 -24.298 9.343 1.00 0.00 C ATOM 1318 CG LYS A 81 -27.241 -23.148 9.473 1.00 0.00 C ATOM 1319 CD LYS A 81 -26.809 -22.188 10.595 1.00 0.00 C ATOM 1320 CE LYS A 81 -27.999 -21.303 10.993 1.00 0.00 C ATOM 1321 NZ LYS A 81 -27.535 -20.116 11.768 1.00 0.00 N ATOM 0 H LYS A 81 -26.108 -23.372 7.020 1.00 0.00 H new ATOM 0 HA LYS A 81 -24.433 -23.050 9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -26.635 -25.089 8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -26.031 -24.737 10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -27.314 -22.608 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -28.231 -23.549 9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -26.457 -22.754 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -25.977 -21.569 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -28.530 -20.975 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -28.705 -21.880 11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -28.354 -19.530 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -27.048 -20.433 12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -26.879 -19.556 11.186 1.00 0.00 H new ATOM 1335 N GLY A 82 -23.140 -24.811 7.528 1.00 0.00 N ATOM 1336 CA GLY A 82 -22.173 -25.907 7.224 1.00 0.00 C ATOM 1337 C GLY A 82 -22.903 -27.247 7.061 1.00 0.00 C ATOM 1338 O GLY A 82 -22.816 -28.108 7.912 1.00 0.00 O ATOM 0 H GLY A 82 -23.082 -23.997 6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.626 -25.672 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -21.438 -25.983 8.026 1.00 0.00 H new ATOM 1342 N GLU A 83 -23.602 -27.395 5.968 1.00 0.00 N ATOM 1343 CA GLU A 83 -24.336 -28.666 5.741 1.00 0.00 C ATOM 1344 C GLU A 83 -23.379 -29.779 5.334 1.00 0.00 C ATOM 1345 O GLU A 83 -23.885 -30.851 5.044 1.00 0.00 O ATOM 1346 CB GLU A 83 -25.351 -28.448 4.605 1.00 0.00 C ATOM 1347 CG GLU A 83 -24.608 -27.977 3.352 1.00 0.00 C ATOM 1348 CD GLU A 83 -25.622 -27.648 2.255 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -26.764 -28.038 2.438 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -25.197 -27.026 1.296 1.00 0.00 O ATOM 1351 OXT GLU A 83 -22.191 -29.498 5.334 1.00 0.00 O ATOM 0 H GLU A 83 -23.694 -26.696 5.231 1.00 0.00 H new ATOM 0 HA GLU A 83 -24.838 -28.955 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -25.888 -29.374 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -26.094 -27.708 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -24.006 -27.098 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -23.923 -28.752 3.009 1.00 0.00 H new TER 1358 GLU A 83