USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 534 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 4 MET CE :methyl -151:sc= -0.391 (180deg=-1.13) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 37:sc= 0.0261 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -100:sc= -1.42 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -140:sc= -0.3 USER MOD Single : A 34 THR OG1 : rot -47:sc= 0.787 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 42 MET CE :methyl -152:sc=-0.000427 (180deg=-0.00532) USER MOD Single : A 43 MET CE :methyl 179:sc= -1.14 (180deg=-1.18) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.084) USER MOD Single : A 61 SER OG : rot 180:sc= -0.437 USER MOD Single : A 63 CYS SG : rot 159:sc= 0.0185 USER MOD Single : A 64 ASN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : A 70 MET CE :methyl -171:sc= -0.188 (180deg=-0.365) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 3.327 -4.636 -4.490 1.00 0.00 N ATOM 24 CA ASP A 3 4.084 -4.658 -5.735 1.00 0.00 C ATOM 25 C ASP A 3 3.155 -4.532 -6.939 1.00 0.00 C ATOM 26 O ASP A 3 3.404 -3.738 -7.846 1.00 0.00 O ATOM 27 CB ASP A 3 4.900 -5.948 -5.839 1.00 0.00 C ATOM 28 CG ASP A 3 5.982 -6.035 -4.780 1.00 0.00 C ATOM 29 OD1 ASP A 3 5.972 -5.201 -3.852 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.838 -6.939 -4.881 1.00 0.00 O ATOM 0 HA ASP A 3 4.764 -3.806 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.233 -6.805 -5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.357 -6.007 -6.827 1.00 0.00 H new ATOM 35 N MET A 4 2.085 -5.320 -6.939 1.00 0.00 N ATOM 36 CA MET A 4 1.119 -5.295 -8.031 1.00 0.00 C ATOM 37 C MET A 4 0.573 -3.887 -8.242 1.00 0.00 C ATOM 38 O MET A 4 0.127 -3.542 -9.336 1.00 0.00 O ATOM 39 CB MET A 4 -0.031 -6.263 -7.745 1.00 0.00 C ATOM 40 CG MET A 4 0.429 -7.622 -7.243 1.00 0.00 C ATOM 41 SD MET A 4 1.715 -8.346 -8.278 1.00 0.00 S ATOM 42 CE MET A 4 0.975 -8.184 -9.901 1.00 0.00 C ATOM 0 H MET A 4 1.865 -5.983 -6.196 1.00 0.00 H new ATOM 0 HA MET A 4 1.630 -5.608 -8.942 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.695 -5.817 -7.004 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.615 -6.400 -8.655 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.802 -7.521 -6.224 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.425 -8.299 -7.204 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.338 -8.983 -10.548 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.109 -8.252 -9.815 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.245 -7.219 -10.330 1.00 0.00 H new ATOM 52 N GLU A 5 0.611 -3.078 -7.188 1.00 0.00 N ATOM 53 CA GLU A 5 0.118 -1.707 -7.260 1.00 0.00 C ATOM 54 C GLU A 5 1.001 -0.859 -8.171 1.00 0.00 C ATOM 55 O GLU A 5 0.508 -0.017 -8.922 1.00 0.00 O ATOM 56 CB GLU A 5 0.065 -1.087 -5.862 1.00 0.00 C ATOM 57 CG GLU A 5 -1.000 -0.013 -5.713 1.00 0.00 C ATOM 58 CD GLU A 5 -1.661 -0.034 -4.348 1.00 0.00 C ATOM 59 OE1 GLU A 5 -2.153 -1.108 -3.944 1.00 0.00 O ATOM 60 OE2 GLU A 5 -1.687 1.024 -3.685 1.00 0.00 O ATOM 0 H GLU A 5 0.978 -3.348 -6.275 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.889 -1.731 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.120 -1.874 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.039 -0.657 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.550 0.966 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.759 -0.150 -6.483 1.00 0.00 H new ATOM 67 N ARG A 6 2.308 -1.086 -8.098 1.00 0.00 N ATOM 68 CA ARG A 6 3.260 -0.343 -8.914 1.00 0.00 C ATOM 69 C ARG A 6 3.035 -0.617 -10.398 1.00 0.00 C ATOM 70 O ARG A 6 2.732 0.294 -11.169 1.00 0.00 O ATOM 71 CB ARG A 6 4.693 -0.712 -8.528 1.00 0.00 C ATOM 72 CG ARG A 6 5.318 0.243 -7.524 1.00 0.00 C ATOM 73 CD ARG A 6 5.715 1.557 -8.177 1.00 0.00 C ATOM 74 NE ARG A 6 6.654 2.316 -7.355 1.00 0.00 N ATOM 75 CZ ARG A 6 6.303 2.972 -6.254 1.00 0.00 C ATOM 76 NH1 ARG A 6 5.042 2.961 -5.846 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.215 3.639 -5.559 1.00 0.00 N ATOM 0 H ARG A 6 2.732 -1.779 -7.482 1.00 0.00 H new ATOM 0 HA ARG A 6 3.104 0.720 -8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.700 -1.719 -8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.308 -0.734 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.612 0.436 -6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.196 -0.222 -7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.165 1.357 -9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.823 2.157 -8.356 1.00 0.00 H new ATOM 0 HE ARG A 6 7.632 2.344 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.338 2.448 -6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.775 3.465 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.187 3.649 -5.870 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.945 4.142 -4.714 1.00 0.00 H new ATOM 91 N ILE A 7 3.185 -1.878 -10.791 1.00 0.00 N ATOM 92 CA ILE A 7 2.998 -2.272 -12.181 1.00 0.00 C ATOM 93 C ILE A 7 1.643 -1.808 -12.706 1.00 0.00 C ATOM 94 O ILE A 7 1.551 -1.226 -13.787 1.00 0.00 O ATOM 95 CB ILE A 7 3.107 -3.798 -12.354 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.394 -4.315 -11.708 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.062 -4.170 -13.828 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.177 -4.957 -10.355 1.00 0.00 C ATOM 0 H ILE A 7 3.436 -2.644 -10.166 1.00 0.00 H new ATOM 0 HA ILE A 7 3.792 -1.792 -12.754 1.00 0.00 H new ATOM 0 HB ILE A 7 2.258 -4.266 -11.856 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.859 -5.041 -12.375 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.094 -3.487 -11.600 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.140 -5.252 -13.933 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.121 -3.831 -14.260 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.893 -3.694 -14.349 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.132 -5.300 -9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.740 -4.228 -9.672 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.502 -5.806 -10.459 1.00 0.00 H new ATOM 110 N PHE A 8 0.595 -2.068 -11.933 1.00 0.00 N ATOM 111 CA PHE A 8 -0.756 -1.677 -12.320 1.00 0.00 C ATOM 112 C PHE A 8 -0.811 -0.195 -12.678 1.00 0.00 C ATOM 113 O PHE A 8 -1.508 0.205 -13.611 1.00 0.00 O ATOM 114 CB PHE A 8 -1.740 -1.976 -11.187 1.00 0.00 C ATOM 115 CG PHE A 8 -3.129 -1.467 -11.449 1.00 0.00 C ATOM 116 CD1 PHE A 8 -4.011 -2.194 -12.232 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.552 -0.262 -10.914 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.290 -1.729 -12.476 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.829 0.208 -11.153 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.699 -0.526 -11.936 1.00 0.00 C ATOM 0 H PHE A 8 0.654 -2.548 -11.035 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.038 -2.256 -13.199 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.781 -3.053 -11.027 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.366 -1.531 -10.265 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.696 -3.135 -12.657 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.876 0.317 -10.303 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.968 -2.306 -13.088 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.147 1.149 -10.728 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.697 -0.159 -12.125 1.00 0.00 H new ATOM 130 N LYS A 9 -0.072 0.617 -11.929 1.00 0.00 N ATOM 131 CA LYS A 9 -0.034 2.055 -12.166 1.00 0.00 C ATOM 132 C LYS A 9 0.965 2.399 -13.265 1.00 0.00 C ATOM 133 O LYS A 9 0.899 3.474 -13.863 1.00 0.00 O ATOM 134 CB LYS A 9 0.333 2.795 -10.878 1.00 0.00 C ATOM 135 CG LYS A 9 -0.799 2.855 -9.866 1.00 0.00 C ATOM 136 CD LYS A 9 -0.361 3.531 -8.578 1.00 0.00 C ATOM 137 CE LYS A 9 -1.172 3.042 -7.388 1.00 0.00 C ATOM 138 NZ LYS A 9 -2.178 4.048 -6.951 1.00 0.00 N ATOM 0 H LYS A 9 0.509 0.303 -11.152 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.026 2.371 -12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.193 2.305 -10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.640 3.811 -11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.642 3.397 -10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.147 1.845 -9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.697 3.334 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.472 4.611 -8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.678 2.113 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.501 2.816 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.710 3.677 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.694 4.926 -6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.834 4.245 -7.733 1.00 0.00 H new ATOM 152 N ARG A 10 1.889 1.481 -13.527 1.00 0.00 N ATOM 153 CA ARG A 10 2.902 1.688 -14.555 1.00 0.00 C ATOM 154 C ARG A 10 2.256 2.043 -15.891 1.00 0.00 C ATOM 155 O ARG A 10 2.612 3.041 -16.519 1.00 0.00 O ATOM 156 CB ARG A 10 3.765 0.434 -14.711 1.00 0.00 C ATOM 157 CG ARG A 10 5.186 0.726 -15.165 1.00 0.00 C ATOM 158 CD ARG A 10 5.592 -0.163 -16.330 1.00 0.00 C ATOM 159 NE ARG A 10 6.529 0.506 -17.229 1.00 0.00 N ATOM 160 CZ ARG A 10 7.811 0.700 -16.942 1.00 0.00 C ATOM 161 NH1 ARG A 10 8.307 0.276 -15.787 1.00 0.00 N ATOM 162 NH2 ARG A 10 8.601 1.317 -17.811 1.00 0.00 N ATOM 0 H ARG A 10 1.957 0.586 -13.042 1.00 0.00 H new ATOM 0 HA ARG A 10 3.534 2.520 -14.244 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.798 -0.095 -13.758 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.293 -0.235 -15.431 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.268 1.772 -15.459 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.874 0.574 -14.333 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.047 -1.077 -15.947 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.703 -0.458 -16.887 1.00 0.00 H new ATOM 0 HE ARG A 10 6.180 0.843 -18.126 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.703 -0.200 -15.117 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.292 0.426 -15.569 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.224 1.643 -18.701 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.585 1.465 -17.589 1.00 0.00 H new ATOM 176 N PHE A 11 1.306 1.220 -16.321 1.00 0.00 N ATOM 177 CA PHE A 11 0.611 1.446 -17.583 1.00 0.00 C ATOM 178 C PHE A 11 -0.455 2.527 -17.431 1.00 0.00 C ATOM 179 O PHE A 11 -1.084 2.936 -18.407 1.00 0.00 O ATOM 180 CB PHE A 11 -0.031 0.147 -18.075 1.00 0.00 C ATOM 181 CG PHE A 11 0.940 -0.992 -18.199 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.289 -0.751 -18.403 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.504 -2.304 -18.111 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.184 -1.798 -18.518 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.395 -3.355 -18.225 1.00 0.00 C ATOM 186 CZ PHE A 11 2.737 -3.101 -18.427 1.00 0.00 C ATOM 0 H PHE A 11 0.999 0.390 -15.814 1.00 0.00 H new ATOM 0 HA PHE A 11 1.343 1.783 -18.317 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.827 -0.138 -17.388 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.495 0.325 -19.045 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.645 0.266 -18.473 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.544 -2.508 -17.951 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.233 -1.597 -18.679 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.042 -4.373 -18.156 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.436 -3.920 -18.514 1.00 0.00 H new ATOM 196 N ASP A 12 -0.652 2.986 -16.200 1.00 0.00 N ATOM 197 CA ASP A 12 -1.641 4.020 -15.919 1.00 0.00 C ATOM 198 C ASP A 12 -1.031 5.410 -16.067 1.00 0.00 C ATOM 199 O ASP A 12 -1.163 6.257 -15.182 1.00 0.00 O ATOM 200 CB ASP A 12 -2.206 3.845 -14.508 1.00 0.00 C ATOM 201 CG ASP A 12 -3.413 4.728 -14.255 1.00 0.00 C ATOM 202 OD1 ASP A 12 -3.688 5.611 -15.093 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.082 4.535 -13.217 1.00 0.00 O ATOM 0 H ASP A 12 -0.140 2.658 -15.381 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.451 3.920 -16.642 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.484 2.802 -14.358 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.431 4.076 -13.778 1.00 0.00 H new ATOM 262 N LYS A 18 -7.991 2.395 -15.117 1.00 0.00 N ATOM 263 CA LYS A 18 -7.645 1.098 -15.688 1.00 0.00 C ATOM 264 C LYS A 18 -6.413 1.209 -16.581 1.00 0.00 C ATOM 265 O LYS A 18 -5.917 2.306 -16.837 1.00 0.00 O ATOM 266 CB LYS A 18 -8.822 0.541 -16.491 1.00 0.00 C ATOM 267 CG LYS A 18 -10.127 0.509 -15.715 1.00 0.00 C ATOM 268 CD LYS A 18 -11.294 0.107 -16.602 1.00 0.00 C ATOM 269 CE LYS A 18 -11.530 1.125 -17.707 1.00 0.00 C ATOM 270 NZ LYS A 18 -12.864 0.949 -18.346 1.00 0.00 N ATOM 0 HA LYS A 18 -7.418 0.416 -14.868 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.957 1.145 -17.388 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.580 -0.469 -16.821 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.041 -0.193 -14.885 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.319 1.491 -15.283 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.098 -0.871 -17.042 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.195 0.009 -15.997 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.454 2.132 -17.296 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.750 1.029 -18.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.987 1.661 -19.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.928 -0.003 -18.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.610 1.066 -17.631 1.00 0.00 H new ATOM 284 N ILE A 19 -5.926 0.066 -17.054 1.00 0.00 N ATOM 285 CA ILE A 19 -4.755 0.036 -17.920 1.00 0.00 C ATOM 286 C ILE A 19 -4.992 -0.855 -19.135 1.00 0.00 C ATOM 287 O ILE A 19 -5.627 -1.905 -19.033 1.00 0.00 O ATOM 288 CB ILE A 19 -3.509 -0.465 -17.166 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.777 -1.841 -16.553 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.106 0.531 -16.089 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.610 -2.386 -15.759 1.00 0.00 C ATOM 0 H ILE A 19 -6.325 -0.851 -16.852 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.582 1.060 -18.251 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.686 -0.557 -17.874 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.650 -1.777 -15.903 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.024 -2.543 -17.350 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.224 0.163 -15.565 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.880 1.493 -16.549 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.925 0.652 -15.380 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.871 -3.364 -15.354 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.741 -2.483 -16.410 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.377 -1.705 -14.941 1.00 0.00 H new ATOM 303 N SER A 20 -4.477 -0.430 -20.284 1.00 0.00 N ATOM 304 CA SER A 20 -4.634 -1.188 -21.520 1.00 0.00 C ATOM 305 C SER A 20 -3.978 -2.560 -21.402 1.00 0.00 C ATOM 306 O SER A 20 -2.785 -2.668 -21.112 1.00 0.00 O ATOM 307 CB SER A 20 -4.028 -0.419 -22.695 1.00 0.00 C ATOM 308 OG SER A 20 -4.667 -0.763 -23.913 1.00 0.00 O ATOM 0 H SER A 20 -3.947 0.436 -20.385 1.00 0.00 H new ATOM 0 HA SER A 20 -5.700 -1.328 -21.699 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.124 0.653 -22.520 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.962 -0.637 -22.765 1.00 0.00 H new ATOM 0 HG SER A 20 -5.624 -0.902 -23.753 1.00 0.00 H new ATOM 314 N LEU A 21 -4.764 -3.606 -21.629 1.00 0.00 N ATOM 315 CA LEU A 21 -4.261 -4.973 -21.549 1.00 0.00 C ATOM 316 C LEU A 21 -3.722 -5.435 -22.900 1.00 0.00 C ATOM 317 O LEU A 21 -2.997 -6.426 -22.984 1.00 0.00 O ATOM 318 CB LEU A 21 -5.368 -5.918 -21.080 1.00 0.00 C ATOM 319 CG LEU A 21 -6.756 -5.674 -21.673 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.738 -5.890 -23.179 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.785 -6.582 -21.015 1.00 0.00 C ATOM 0 H LEU A 21 -5.752 -3.534 -21.870 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.445 -4.992 -20.827 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.069 -6.940 -21.315 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.441 -5.849 -19.995 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.037 -4.639 -21.478 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.734 -5.712 -23.584 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.031 -5.198 -23.637 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.436 -6.915 -23.396 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.767 -6.394 -21.450 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.509 -7.624 -21.179 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.817 -6.379 -19.944 1.00 0.00 H new ATOM 333 N SER A 22 -4.078 -4.707 -23.953 1.00 0.00 N ATOM 334 CA SER A 22 -3.632 -5.043 -25.300 1.00 0.00 C ATOM 335 C SER A 22 -2.217 -4.526 -25.548 1.00 0.00 C ATOM 336 O SER A 22 -1.387 -5.219 -26.135 1.00 0.00 O ATOM 337 CB SER A 22 -4.590 -4.457 -26.339 1.00 0.00 C ATOM 338 OG SER A 22 -5.788 -5.210 -26.409 1.00 0.00 O ATOM 0 H SER A 22 -4.674 -3.881 -23.900 1.00 0.00 H new ATOM 0 HA SER A 22 -3.626 -6.129 -25.394 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.821 -3.423 -26.083 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.108 -4.443 -27.316 1.00 0.00 H new ATOM 0 HG SER A 22 -6.384 -4.815 -27.079 1.00 0.00 H new ATOM 344 N GLU A 23 -1.953 -3.305 -25.095 1.00 0.00 N ATOM 345 CA GLU A 23 -0.639 -2.695 -25.269 1.00 0.00 C ATOM 346 C GLU A 23 0.390 -3.351 -24.353 1.00 0.00 C ATOM 347 O GLU A 23 1.589 -3.337 -24.637 1.00 0.00 O ATOM 348 CB GLU A 23 -0.708 -1.193 -24.983 1.00 0.00 C ATOM 349 CG GLU A 23 -1.746 -0.462 -25.817 1.00 0.00 C ATOM 350 CD GLU A 23 -1.701 1.041 -25.618 1.00 0.00 C ATOM 351 OE1 GLU A 23 -1.539 1.482 -24.462 1.00 0.00 O ATOM 352 OE2 GLU A 23 -1.828 1.775 -26.621 1.00 0.00 O ATOM 0 H GLU A 23 -2.630 -2.719 -24.606 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.330 -2.847 -26.303 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.931 -1.043 -23.927 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.271 -0.751 -25.168 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.586 -0.690 -26.871 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.739 -0.829 -25.558 1.00 0.00 H new ATOM 359 N LEU A 24 -0.085 -3.926 -23.254 1.00 0.00 N ATOM 360 CA LEU A 24 0.793 -4.588 -22.296 1.00 0.00 C ATOM 361 C LEU A 24 1.501 -5.778 -22.937 1.00 0.00 C ATOM 362 O LEU A 24 2.728 -5.804 -23.038 1.00 0.00 O ATOM 363 CB LEU A 24 -0.007 -5.052 -21.077 1.00 0.00 C ATOM 364 CG LEU A 24 0.660 -6.113 -20.201 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.346 -7.508 -20.720 1.00 0.00 C ATOM 366 CD2 LEU A 24 2.164 -5.890 -20.144 1.00 0.00 C ATOM 0 H LEU A 24 -1.074 -3.947 -23.004 1.00 0.00 H new ATOM 0 HA LEU A 24 1.548 -3.870 -21.976 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.224 -4.182 -20.457 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.964 -5.444 -21.423 1.00 0.00 H new ATOM 0 HG LEU A 24 0.261 -6.025 -19.190 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.829 -8.250 -20.084 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.732 -7.667 -20.708 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.716 -7.608 -21.740 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.622 -6.654 -19.516 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.579 -5.950 -21.150 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.370 -4.905 -19.725 1.00 0.00 H new ATOM 378 N THR A 25 0.719 -6.761 -23.371 1.00 0.00 N ATOM 379 CA THR A 25 1.270 -7.953 -24.004 1.00 0.00 C ATOM 380 C THR A 25 2.185 -7.586 -25.166 1.00 0.00 C ATOM 381 O THR A 25 3.180 -8.264 -25.424 1.00 0.00 O ATOM 382 CB THR A 25 0.155 -8.883 -24.518 1.00 0.00 C ATOM 383 OG1 THR A 25 0.711 -9.890 -25.370 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.900 -8.094 -25.278 1.00 0.00 C ATOM 0 H THR A 25 -0.298 -6.755 -23.296 1.00 0.00 H new ATOM 0 HA THR A 25 1.847 -8.476 -23.242 1.00 0.00 H new ATOM 0 HB THR A 25 -0.318 -9.357 -23.658 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.570 -9.640 -26.307 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.677 -8.772 -25.631 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.342 -7.348 -24.618 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.438 -7.596 -26.130 1.00 0.00 H new ATOM 392 N ASP A 26 1.844 -6.508 -25.863 1.00 0.00 N ATOM 393 CA ASP A 26 2.637 -6.048 -26.998 1.00 0.00 C ATOM 394 C ASP A 26 3.841 -5.239 -26.527 1.00 0.00 C ATOM 395 O ASP A 26 4.815 -5.072 -27.261 1.00 0.00 O ATOM 396 CB ASP A 26 1.777 -5.205 -27.940 1.00 0.00 C ATOM 397 CG ASP A 26 2.282 -5.239 -29.370 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.474 -5.549 -29.570 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.484 -4.953 -30.287 1.00 0.00 O ATOM 0 H ASP A 26 1.024 -5.936 -25.662 1.00 0.00 H new ATOM 0 HA ASP A 26 2.999 -6.924 -27.536 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.749 -5.568 -27.912 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.761 -4.174 -27.588 1.00 0.00 H new ATOM 404 N ALA A 27 3.767 -4.737 -25.298 1.00 0.00 N ATOM 405 CA ALA A 27 4.851 -3.946 -24.729 1.00 0.00 C ATOM 406 C ALA A 27 5.880 -4.838 -24.043 1.00 0.00 C ATOM 407 O ALA A 27 7.076 -4.544 -24.053 1.00 0.00 O ATOM 408 CB ALA A 27 4.298 -2.922 -23.748 1.00 0.00 C ATOM 0 H ALA A 27 2.967 -4.864 -24.678 1.00 0.00 H new ATOM 0 HA ALA A 27 5.351 -3.420 -25.543 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.118 -2.338 -23.330 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.607 -2.258 -24.267 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.772 -3.436 -22.943 1.00 0.00 H new ATOM 414 N LEU A 28 5.408 -5.927 -23.447 1.00 0.00 N ATOM 415 CA LEU A 28 6.288 -6.862 -22.755 1.00 0.00 C ATOM 416 C LEU A 28 7.450 -7.281 -23.650 1.00 0.00 C ATOM 417 O LEU A 28 8.512 -7.671 -23.163 1.00 0.00 O ATOM 418 CB LEU A 28 5.503 -8.096 -22.308 1.00 0.00 C ATOM 419 CG LEU A 28 4.967 -8.069 -20.876 1.00 0.00 C ATOM 420 CD1 LEU A 28 4.063 -9.265 -20.621 1.00 0.00 C ATOM 421 CD2 LEU A 28 6.115 -8.043 -19.877 1.00 0.00 C ATOM 0 H LEU A 28 4.421 -6.184 -23.429 1.00 0.00 H new ATOM 0 HA LEU A 28 6.693 -6.359 -21.877 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.661 -8.232 -22.987 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.145 -8.970 -22.418 1.00 0.00 H new ATOM 0 HG LEU A 28 4.378 -7.161 -20.746 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.691 -9.228 -19.597 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.222 -9.239 -21.314 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.627 -10.186 -20.770 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.715 -8.024 -18.863 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.731 -8.933 -20.007 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.723 -7.154 -20.044 1.00 0.00 H new ATOM 433 N ARG A 29 7.242 -7.196 -24.959 1.00 0.00 N ATOM 434 CA ARG A 29 8.272 -7.565 -25.922 1.00 0.00 C ATOM 435 C ARG A 29 9.524 -6.715 -25.732 1.00 0.00 C ATOM 436 O ARG A 29 10.644 -7.180 -25.948 1.00 0.00 O ATOM 437 CB ARG A 29 7.746 -7.406 -27.350 1.00 0.00 C ATOM 438 CG ARG A 29 7.641 -5.959 -27.802 1.00 0.00 C ATOM 439 CD ARG A 29 6.974 -5.847 -29.164 1.00 0.00 C ATOM 440 NE ARG A 29 7.920 -5.461 -30.207 1.00 0.00 N ATOM 441 CZ ARG A 29 7.564 -5.195 -31.459 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.291 -5.272 -31.822 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.484 -4.850 -32.352 1.00 0.00 N ATOM 0 H ARG A 29 6.369 -6.875 -25.378 1.00 0.00 H new ATOM 0 HA ARG A 29 8.534 -8.609 -25.753 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.404 -7.944 -28.033 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.763 -7.872 -27.420 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.071 -5.388 -27.069 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.637 -5.517 -27.846 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.518 -6.802 -29.424 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.170 -5.113 -29.114 1.00 0.00 H new ATOM 0 HE ARG A 29 8.908 -5.392 -29.961 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.581 -5.536 -31.139 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.022 -5.067 -32.784 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.464 -4.789 -32.077 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.210 -4.646 -33.313 1.00 0.00 H new ATOM 457 N THR A 30 9.328 -5.464 -25.326 1.00 0.00 N ATOM 458 CA THR A 30 10.440 -4.548 -25.108 1.00 0.00 C ATOM 459 C THR A 30 11.082 -4.777 -23.745 1.00 0.00 C ATOM 460 O THR A 30 12.263 -4.488 -23.547 1.00 0.00 O ATOM 461 CB THR A 30 9.986 -3.079 -25.208 1.00 0.00 C ATOM 462 OG1 THR A 30 11.087 -2.251 -25.598 1.00 0.00 O ATOM 463 CG2 THR A 30 9.425 -2.594 -23.880 1.00 0.00 C ATOM 0 H THR A 30 8.409 -5.062 -25.142 1.00 0.00 H new ATOM 0 HA THR A 30 11.172 -4.749 -25.890 1.00 0.00 H new ATOM 0 HB THR A 30 9.200 -3.015 -25.961 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.790 -1.319 -25.661 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.111 -1.555 -23.975 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.568 -3.208 -23.601 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.193 -2.672 -23.110 1.00 0.00 H new ATOM 471 N LEU A 31 10.299 -5.298 -22.807 1.00 0.00 N ATOM 472 CA LEU A 31 10.792 -5.567 -21.461 1.00 0.00 C ATOM 473 C LEU A 31 11.701 -6.792 -21.448 1.00 0.00 C ATOM 474 O LEU A 31 12.323 -7.105 -20.435 1.00 0.00 O ATOM 475 CB LEU A 31 9.620 -5.778 -20.500 1.00 0.00 C ATOM 476 CG LEU A 31 9.170 -4.548 -19.711 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.313 -4.008 -18.866 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.645 -3.473 -20.651 1.00 0.00 C ATOM 0 H LEU A 31 9.320 -5.543 -22.954 1.00 0.00 H new ATOM 0 HA LEU A 31 11.372 -4.704 -21.134 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.770 -6.149 -21.072 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.893 -6.560 -19.791 1.00 0.00 H new ATOM 0 HG LEU A 31 8.361 -4.845 -19.044 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.974 -3.133 -18.312 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.642 -4.776 -18.166 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.144 -3.728 -19.514 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.329 -2.605 -20.071 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.433 -3.179 -21.344 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.796 -3.863 -21.212 1.00 0.00 H new ATOM 490 N GLY A 32 11.773 -7.480 -22.584 1.00 0.00 N ATOM 491 CA GLY A 32 12.610 -8.662 -22.683 1.00 0.00 C ATOM 492 C GLY A 32 11.848 -9.938 -22.387 1.00 0.00 C ATOM 493 O GLY A 32 12.441 -11.012 -22.281 1.00 0.00 O ATOM 0 H GLY A 32 11.267 -7.240 -23.437 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.034 -8.720 -23.685 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.445 -8.571 -21.988 1.00 0.00 H new ATOM 497 N SER A 33 10.531 -9.822 -22.251 1.00 0.00 N ATOM 498 CA SER A 33 9.688 -10.975 -21.960 1.00 0.00 C ATOM 499 C SER A 33 9.567 -11.882 -23.181 1.00 0.00 C ATOM 500 O SER A 33 9.297 -11.418 -24.290 1.00 0.00 O ATOM 501 CB SER A 33 8.299 -10.518 -21.511 1.00 0.00 C ATOM 502 OG SER A 33 8.035 -10.923 -20.179 1.00 0.00 O ATOM 0 H SER A 33 10.025 -8.941 -22.338 1.00 0.00 H new ATOM 0 HA SER A 33 10.155 -11.540 -21.154 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.228 -9.433 -21.585 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.543 -10.933 -22.177 1.00 0.00 H new ATOM 0 HG SER A 33 7.104 -11.219 -20.106 1.00 0.00 H new ATOM 508 N THR A 34 9.769 -13.179 -22.970 1.00 0.00 N ATOM 509 CA THR A 34 9.684 -14.152 -24.052 1.00 0.00 C ATOM 510 C THR A 34 8.367 -14.917 -24.001 1.00 0.00 C ATOM 511 O THR A 34 8.278 -16.051 -24.471 1.00 0.00 O ATOM 512 CB THR A 34 10.850 -15.157 -23.996 1.00 0.00 C ATOM 513 OG1 THR A 34 10.855 -15.968 -25.177 1.00 0.00 O ATOM 514 CG2 THR A 34 10.742 -16.044 -22.766 1.00 0.00 C ATOM 0 H THR A 34 9.993 -13.580 -22.059 1.00 0.00 H new ATOM 0 HA THR A 34 9.740 -13.592 -24.986 1.00 0.00 H new ATOM 0 HB THR A 34 11.782 -14.595 -23.938 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.947 -16.292 -25.355 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.576 -16.745 -22.749 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.768 -15.426 -21.868 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.804 -16.598 -22.798 1.00 0.00 H new ATOM 522 N SER A 35 7.344 -14.288 -23.429 1.00 0.00 N ATOM 523 CA SER A 35 6.031 -14.912 -23.315 1.00 0.00 C ATOM 524 C SER A 35 4.931 -13.939 -23.728 1.00 0.00 C ATOM 525 O SER A 35 3.761 -14.131 -23.395 1.00 0.00 O ATOM 526 CB SER A 35 5.793 -15.390 -21.881 1.00 0.00 C ATOM 527 OG SER A 35 6.806 -16.292 -21.470 1.00 0.00 O ATOM 0 H SER A 35 7.400 -13.348 -23.038 1.00 0.00 H new ATOM 0 HA SER A 35 6.004 -15.771 -23.986 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.770 -14.533 -21.208 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.820 -15.876 -21.813 1.00 0.00 H new ATOM 0 HG SER A 35 6.632 -16.582 -20.550 1.00 0.00 H new ATOM 533 N ALA A 36 5.314 -12.896 -24.456 1.00 0.00 N ATOM 534 CA ALA A 36 4.361 -11.894 -24.917 1.00 0.00 C ATOM 535 C ALA A 36 3.199 -12.543 -25.661 1.00 0.00 C ATOM 536 O ALA A 36 2.095 -11.999 -25.704 1.00 0.00 O ATOM 537 CB ALA A 36 5.056 -10.874 -25.807 1.00 0.00 C ATOM 0 H ALA A 36 6.278 -12.723 -24.740 1.00 0.00 H new ATOM 0 HA ALA A 36 3.958 -11.382 -24.043 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.332 -10.132 -26.144 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.848 -10.379 -25.244 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.487 -11.379 -26.671 1.00 0.00 H new ATOM 543 N ASP A 37 3.454 -13.708 -26.245 1.00 0.00 N ATOM 544 CA ASP A 37 2.429 -14.432 -26.988 1.00 0.00 C ATOM 545 C ASP A 37 1.532 -15.226 -26.043 1.00 0.00 C ATOM 546 O ASP A 37 0.348 -15.420 -26.314 1.00 0.00 O ATOM 547 CB ASP A 37 3.075 -15.372 -28.007 1.00 0.00 C ATOM 548 CG ASP A 37 4.319 -14.777 -28.636 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.192 -13.780 -29.378 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.422 -15.307 -28.385 1.00 0.00 O ATOM 0 H ASP A 37 4.362 -14.172 -26.218 1.00 0.00 H new ATOM 0 HA ASP A 37 1.815 -13.703 -27.516 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.332 -16.312 -27.518 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.353 -15.607 -28.789 1.00 0.00 H new ATOM 555 N GLU A 38 2.106 -15.682 -24.934 1.00 0.00 N ATOM 556 CA GLU A 38 1.358 -16.456 -23.950 1.00 0.00 C ATOM 557 C GLU A 38 0.550 -15.539 -23.036 1.00 0.00 C ATOM 558 O GLU A 38 -0.540 -15.895 -22.587 1.00 0.00 O ATOM 559 CB GLU A 38 2.309 -17.316 -23.115 1.00 0.00 C ATOM 560 CG GLU A 38 1.606 -18.405 -22.321 1.00 0.00 C ATOM 561 CD GLU A 38 2.438 -19.667 -22.199 1.00 0.00 C ATOM 562 OE1 GLU A 38 3.675 -19.553 -22.072 1.00 0.00 O ATOM 563 OE2 GLU A 38 1.851 -20.769 -22.230 1.00 0.00 O ATOM 0 H GLU A 38 3.086 -15.529 -24.695 1.00 0.00 H new ATOM 0 HA GLU A 38 0.667 -17.106 -24.487 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.044 -17.776 -23.775 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.858 -16.673 -22.427 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.373 -18.030 -21.324 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.657 -18.645 -22.801 1.00 0.00 H new ATOM 570 N VAL A 39 1.092 -14.356 -22.766 1.00 0.00 N ATOM 571 CA VAL A 39 0.422 -13.387 -21.906 1.00 0.00 C ATOM 572 C VAL A 39 -0.818 -12.816 -22.584 1.00 0.00 C ATOM 573 O VAL A 39 -1.807 -12.499 -21.924 1.00 0.00 O ATOM 574 CB VAL A 39 1.364 -12.229 -21.525 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.726 -11.408 -22.754 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.727 -11.353 -20.457 1.00 0.00 C ATOM 0 H VAL A 39 1.993 -14.045 -23.130 1.00 0.00 H new ATOM 0 HA VAL A 39 0.126 -13.918 -21.001 1.00 0.00 H new ATOM 0 HB VAL A 39 2.282 -12.651 -21.116 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.392 -10.595 -22.465 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.227 -12.045 -23.483 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.819 -10.995 -23.196 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.406 -10.540 -20.200 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.207 -10.939 -20.836 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.525 -11.951 -19.569 1.00 0.00 H new ATOM 586 N GLN A 40 -0.757 -12.688 -23.906 1.00 0.00 N ATOM 587 CA GLN A 40 -1.877 -12.155 -24.673 1.00 0.00 C ATOM 588 C GLN A 40 -3.119 -13.023 -24.500 1.00 0.00 C ATOM 589 O GLN A 40 -4.232 -12.513 -24.376 1.00 0.00 O ATOM 590 CB GLN A 40 -1.508 -12.062 -26.155 1.00 0.00 C ATOM 591 CG GLN A 40 -2.708 -12.130 -27.086 1.00 0.00 C ATOM 592 CD GLN A 40 -2.317 -12.054 -28.549 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.265 -12.776 -28.919 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.953 -11.355 -29.338 1.00 0.00 N flip ATOM 0 H GLN A 40 0.055 -12.946 -24.467 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.100 -11.156 -24.297 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.975 -11.127 -26.330 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.821 -12.872 -26.401 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.250 -13.058 -26.907 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.390 -11.312 -26.853 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.755 -10.817 -29.010 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.678 -11.314 -30.319 1.00 0.00 H new ATOM 603 N ARG A 41 -2.920 -14.337 -24.492 1.00 0.00 N ATOM 604 CA ARG A 41 -4.024 -15.276 -24.335 1.00 0.00 C ATOM 605 C ARG A 41 -4.401 -15.430 -22.864 1.00 0.00 C ATOM 606 O ARG A 41 -5.502 -15.875 -22.539 1.00 0.00 O ATOM 607 CB ARG A 41 -3.651 -16.638 -24.923 1.00 0.00 C ATOM 608 CG ARG A 41 -2.368 -17.218 -24.349 1.00 0.00 C ATOM 609 CD ARG A 41 -2.025 -18.553 -24.991 1.00 0.00 C ATOM 610 NE ARG A 41 -2.806 -19.649 -24.423 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.800 -20.885 -24.910 1.00 0.00 C ATOM 612 NH1 ARG A 41 -2.057 -21.181 -25.968 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.538 -21.828 -24.338 1.00 0.00 N ATOM 0 H ARG A 41 -2.004 -14.775 -24.592 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.885 -14.880 -24.873 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.468 -17.337 -24.745 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.545 -16.541 -26.003 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.548 -16.517 -24.505 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.476 -17.348 -23.272 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.206 -18.497 -26.064 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.963 -18.757 -24.858 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.388 -19.455 -23.608 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.488 -20.459 -26.410 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.054 -22.131 -26.340 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.110 -21.604 -23.524 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.533 -22.777 -24.712 1.00 0.00 H new ATOM 627 N MET A 42 -3.480 -15.060 -21.980 1.00 0.00 N ATOM 628 CA MET A 42 -3.717 -15.157 -20.545 1.00 0.00 C ATOM 629 C MET A 42 -4.538 -13.971 -20.048 1.00 0.00 C ATOM 630 O MET A 42 -5.508 -14.142 -19.310 1.00 0.00 O ATOM 631 CB MET A 42 -2.388 -15.224 -19.791 1.00 0.00 C ATOM 632 CG MET A 42 -1.611 -16.507 -20.041 1.00 0.00 C ATOM 633 SD MET A 42 -1.946 -17.775 -18.803 1.00 0.00 S ATOM 634 CE MET A 42 -3.015 -18.876 -19.727 1.00 0.00 C ATOM 0 H MET A 42 -2.563 -14.691 -22.232 1.00 0.00 H new ATOM 0 HA MET A 42 -4.280 -16.071 -20.356 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.772 -14.373 -20.081 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.581 -15.128 -18.722 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.863 -16.893 -21.029 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.544 -16.285 -20.049 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.685 -19.394 -19.040 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.602 -18.299 -20.441 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.409 -19.607 -20.263 1.00 0.00 H new ATOM 644 N MET A 43 -4.142 -12.771 -20.457 1.00 0.00 N ATOM 645 CA MET A 43 -4.842 -11.557 -20.053 1.00 0.00 C ATOM 646 C MET A 43 -6.325 -11.644 -20.400 1.00 0.00 C ATOM 647 O MET A 43 -7.155 -10.966 -19.794 1.00 0.00 O ATOM 648 CB MET A 43 -4.219 -10.334 -20.729 1.00 0.00 C ATOM 649 CG MET A 43 -4.061 -10.486 -22.233 1.00 0.00 C ATOM 650 SD MET A 43 -4.633 -9.037 -23.141 1.00 0.00 S ATOM 651 CE MET A 43 -4.771 -9.708 -24.796 1.00 0.00 C ATOM 0 H MET A 43 -3.341 -12.613 -21.068 1.00 0.00 H new ATOM 0 HA MET A 43 -4.745 -11.454 -18.972 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.838 -9.461 -20.523 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.241 -10.143 -20.287 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.012 -10.666 -22.468 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.618 -11.362 -22.566 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.133 -8.934 -25.473 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.793 -10.055 -25.131 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.471 -10.543 -24.793 1.00 0.00 H new ATOM 661 N ALA A 44 -6.651 -12.481 -21.379 1.00 0.00 N ATOM 662 CA ALA A 44 -8.034 -12.658 -21.805 1.00 0.00 C ATOM 663 C ALA A 44 -8.877 -13.270 -20.692 1.00 0.00 C ATOM 664 O ALA A 44 -10.103 -13.157 -20.696 1.00 0.00 O ATOM 665 CB ALA A 44 -8.095 -13.525 -23.054 1.00 0.00 C ATOM 0 H ALA A 44 -5.976 -13.048 -21.892 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.445 -11.676 -22.038 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.134 -13.649 -23.361 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.534 -13.046 -23.857 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.661 -14.502 -22.840 1.00 0.00 H new ATOM 671 N GLU A 45 -8.213 -13.919 -19.741 1.00 0.00 N ATOM 672 CA GLU A 45 -8.903 -14.550 -18.622 1.00 0.00 C ATOM 673 C GLU A 45 -9.418 -13.502 -17.639 1.00 0.00 C ATOM 674 O GLU A 45 -10.566 -13.562 -17.198 1.00 0.00 O ATOM 675 CB GLU A 45 -7.970 -15.525 -17.902 1.00 0.00 C ATOM 676 CG GLU A 45 -7.498 -16.674 -18.777 1.00 0.00 C ATOM 677 CD GLU A 45 -8.431 -17.868 -18.726 1.00 0.00 C ATOM 678 OE1 GLU A 45 -9.515 -17.800 -19.344 1.00 0.00 O ATOM 679 OE2 GLU A 45 -8.080 -18.870 -18.069 1.00 0.00 O ATOM 0 H GLU A 45 -7.198 -14.022 -19.723 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.756 -15.101 -19.019 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.101 -14.979 -17.534 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.484 -15.930 -17.031 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.411 -16.329 -19.807 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.502 -16.982 -18.459 1.00 0.00 H new ATOM 686 N ILE A 46 -8.561 -12.545 -17.302 1.00 0.00 N ATOM 687 CA ILE A 46 -8.929 -11.484 -16.372 1.00 0.00 C ATOM 688 C ILE A 46 -9.906 -10.505 -17.014 1.00 0.00 C ATOM 689 O ILE A 46 -10.766 -9.939 -16.341 1.00 0.00 O ATOM 690 CB ILE A 46 -7.691 -10.710 -15.883 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.949 -10.090 -17.068 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.769 -11.629 -15.096 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.810 -9.182 -16.660 1.00 0.00 C ATOM 0 H ILE A 46 -7.607 -12.482 -17.659 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.408 -11.964 -15.519 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.020 -9.906 -15.224 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.558 -10.888 -17.699 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.657 -9.523 -17.673 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.898 -11.068 -14.757 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.302 -12.027 -14.233 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.445 -12.452 -15.733 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.330 -8.778 -17.551 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.197 -8.363 -16.054 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.082 -9.750 -16.081 1.00 0.00 H new ATOM 705 N ASP A 47 -9.768 -10.312 -18.322 1.00 0.00 N ATOM 706 CA ASP A 47 -10.639 -9.402 -19.056 1.00 0.00 C ATOM 707 C ASP A 47 -11.972 -10.069 -19.383 1.00 0.00 C ATOM 708 O ASP A 47 -12.052 -10.925 -20.264 1.00 0.00 O ATOM 709 CB ASP A 47 -9.958 -8.940 -20.346 1.00 0.00 C ATOM 710 CG ASP A 47 -10.599 -7.694 -20.923 1.00 0.00 C ATOM 711 OD1 ASP A 47 -10.484 -6.582 -20.206 1.00 0.00 O ATOM 712 OD2 ASP A 47 -11.191 -7.730 -22.002 1.00 0.00 O ATOM 0 H ASP A 47 -9.061 -10.774 -18.895 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.832 -8.535 -18.424 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.904 -8.745 -20.148 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.000 -9.742 -21.083 1.00 0.00 H new ATOM 717 N THR A 48 -13.018 -9.671 -18.665 1.00 0.00 N ATOM 718 CA THR A 48 -14.347 -10.230 -18.877 1.00 0.00 C ATOM 719 C THR A 48 -15.188 -9.326 -19.772 1.00 0.00 C ATOM 720 O THR A 48 -16.170 -9.767 -20.369 1.00 0.00 O ATOM 721 CB THR A 48 -15.087 -10.443 -17.543 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.278 -11.207 -17.760 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.443 -9.110 -16.903 1.00 0.00 C ATOM 0 H THR A 48 -12.970 -8.964 -17.932 1.00 0.00 H new ATOM 0 HA THR A 48 -14.209 -11.194 -19.366 1.00 0.00 H new ATOM 0 HB THR A 48 -14.425 -10.987 -16.869 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.742 -11.339 -16.907 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.965 -9.286 -15.962 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.532 -8.543 -16.712 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.088 -8.544 -17.575 1.00 0.00 H new ATOM 731 N ASP A 49 -14.796 -8.060 -19.861 1.00 0.00 N ATOM 732 CA ASP A 49 -15.513 -7.093 -20.685 1.00 0.00 C ATOM 733 C ASP A 49 -14.959 -7.074 -22.106 1.00 0.00 C ATOM 734 O ASP A 49 -15.390 -6.280 -22.940 1.00 0.00 O ATOM 735 CB ASP A 49 -15.419 -5.697 -20.069 1.00 0.00 C ATOM 736 CG ASP A 49 -14.893 -5.725 -18.647 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.703 -5.927 -17.719 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.670 -5.545 -18.463 1.00 0.00 O ATOM 0 H ASP A 49 -13.986 -7.679 -19.373 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.560 -7.393 -20.726 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.766 -5.076 -20.682 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.405 -5.231 -20.080 1.00 0.00 H new ATOM 743 N GLY A 50 -13.999 -7.955 -22.374 1.00 0.00 N ATOM 744 CA GLY A 50 -13.401 -8.021 -23.694 1.00 0.00 C ATOM 745 C GLY A 50 -12.973 -6.660 -24.206 1.00 0.00 C ATOM 746 O GLY A 50 -12.958 -6.420 -25.413 1.00 0.00 O ATOM 0 H GLY A 50 -13.625 -8.624 -21.700 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.536 -8.683 -23.665 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.115 -8.460 -24.391 1.00 0.00 H new ATOM 750 N ASP A 51 -12.625 -5.767 -23.287 1.00 0.00 N ATOM 751 CA ASP A 51 -12.195 -4.422 -23.651 1.00 0.00 C ATOM 752 C ASP A 51 -10.689 -4.265 -23.469 1.00 0.00 C ATOM 753 O ASP A 51 -10.036 -5.108 -22.856 1.00 0.00 O ATOM 754 CB ASP A 51 -12.935 -3.381 -22.809 1.00 0.00 C ATOM 755 CG ASP A 51 -12.519 -3.414 -21.351 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.458 -4.522 -20.777 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.254 -2.334 -20.786 1.00 0.00 O ATOM 0 H ASP A 51 -12.632 -5.950 -22.284 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.434 -4.263 -24.703 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.745 -2.388 -23.216 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.008 -3.556 -22.882 1.00 0.00 H new ATOM 762 N GLY A 52 -10.143 -3.178 -24.007 1.00 0.00 N ATOM 763 CA GLY A 52 -8.717 -2.931 -23.894 1.00 0.00 C ATOM 764 C GLY A 52 -8.356 -2.195 -22.619 1.00 0.00 C ATOM 765 O GLY A 52 -7.615 -1.212 -22.650 1.00 0.00 O ATOM 0 H GLY A 52 -10.662 -2.465 -24.519 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.183 -3.881 -23.925 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.383 -2.349 -24.753 1.00 0.00 H new ATOM 769 N PHE A 53 -8.881 -2.670 -21.495 1.00 0.00 N ATOM 770 CA PHE A 53 -8.611 -2.049 -20.203 1.00 0.00 C ATOM 771 C PHE A 53 -8.869 -3.030 -19.063 1.00 0.00 C ATOM 772 O PHE A 53 -9.771 -3.865 -19.141 1.00 0.00 O ATOM 773 CB PHE A 53 -9.478 -0.801 -20.023 1.00 0.00 C ATOM 774 CG PHE A 53 -9.099 0.329 -20.936 1.00 0.00 C ATOM 775 CD1 PHE A 53 -8.033 1.159 -20.628 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.807 0.562 -22.104 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.682 2.201 -21.466 1.00 0.00 C ATOM 778 CE2 PHE A 53 -9.461 1.601 -22.947 1.00 0.00 C ATOM 779 CZ PHE A 53 -8.397 2.421 -22.628 1.00 0.00 C ATOM 0 H PHE A 53 -9.496 -3.483 -21.452 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.560 -1.760 -20.179 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.521 -1.065 -20.198 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.404 -0.463 -18.989 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.470 0.990 -19.722 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.640 -0.077 -22.359 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.850 2.842 -21.213 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.022 1.771 -23.854 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.124 3.233 -23.286 1.00 0.00 H new ATOM 789 N ILE A 54 -8.071 -2.923 -18.007 1.00 0.00 N ATOM 790 CA ILE A 54 -8.212 -3.800 -16.851 1.00 0.00 C ATOM 791 C ILE A 54 -8.102 -3.015 -15.548 1.00 0.00 C ATOM 792 O ILE A 54 -7.262 -2.123 -15.418 1.00 0.00 O ATOM 793 CB ILE A 54 -7.150 -4.915 -16.857 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.746 -4.313 -16.776 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.293 -5.776 -18.103 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.649 -5.349 -16.668 1.00 0.00 C ATOM 0 H ILE A 54 -7.320 -2.238 -17.927 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.202 -4.252 -16.917 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.304 -5.548 -15.983 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.571 -3.701 -17.661 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.694 -3.649 -15.913 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.535 -6.560 -18.093 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.284 -6.230 -18.120 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.162 -5.157 -18.990 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.681 -4.850 -16.615 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.800 -5.946 -15.768 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.675 -5.999 -17.543 1.00 0.00 H new ATOM 808 N ASP A 55 -8.953 -3.353 -14.586 1.00 0.00 N ATOM 809 CA ASP A 55 -8.950 -2.682 -13.292 1.00 0.00 C ATOM 810 C ASP A 55 -8.119 -3.461 -12.277 1.00 0.00 C ATOM 811 O ASP A 55 -7.638 -4.558 -12.565 1.00 0.00 O ATOM 812 CB ASP A 55 -10.380 -2.514 -12.776 1.00 0.00 C ATOM 813 CG ASP A 55 -11.394 -2.425 -13.900 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.682 -3.468 -14.523 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.899 -1.312 -14.156 1.00 0.00 O ATOM 0 H ASP A 55 -9.654 -4.088 -14.678 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.501 -1.697 -13.423 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.631 -3.355 -12.130 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.439 -1.613 -12.165 1.00 0.00 H new ATOM 820 N PHE A 56 -7.952 -2.888 -11.090 1.00 0.00 N ATOM 821 CA PHE A 56 -7.177 -3.528 -10.034 1.00 0.00 C ATOM 822 C PHE A 56 -7.606 -4.980 -9.849 1.00 0.00 C ATOM 823 O PHE A 56 -6.775 -5.861 -9.629 1.00 0.00 O ATOM 824 CB PHE A 56 -7.341 -2.764 -8.718 1.00 0.00 C ATOM 825 CG PHE A 56 -6.170 -2.912 -7.789 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.889 -2.598 -8.212 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.351 -3.367 -6.493 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.809 -2.732 -7.360 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.275 -3.504 -5.636 1.00 0.00 C ATOM 830 CZ PHE A 56 -4.003 -3.187 -6.070 1.00 0.00 C ATOM 0 H PHE A 56 -8.343 -1.981 -10.835 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.127 -3.512 -10.327 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.489 -1.707 -8.937 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.241 -3.114 -8.213 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.732 -2.244 -9.220 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.343 -3.617 -6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.816 -2.482 -7.702 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.429 -3.859 -4.628 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.161 -3.295 -5.402 1.00 0.00 H new ATOM 840 N ASN A 57 -8.910 -5.222 -9.938 1.00 0.00 N ATOM 841 CA ASN A 57 -9.450 -6.568 -9.780 1.00 0.00 C ATOM 842 C ASN A 57 -9.057 -7.454 -10.957 1.00 0.00 C ATOM 843 O ASN A 57 -8.753 -8.634 -10.783 1.00 0.00 O ATOM 844 CB ASN A 57 -10.974 -6.516 -9.653 1.00 0.00 C ATOM 845 CG ASN A 57 -11.467 -7.124 -8.354 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.344 -6.571 -7.690 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.904 -8.269 -7.986 1.00 0.00 N ATOM 0 H ASN A 57 -9.612 -4.504 -10.119 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.030 -6.997 -8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.306 -5.480 -9.715 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.424 -7.045 -10.493 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.195 -8.726 -7.122 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.180 -8.692 -8.568 1.00 0.00 H new ATOM 854 N GLU A 58 -9.064 -6.877 -12.154 1.00 0.00 N ATOM 855 CA GLU A 58 -8.708 -7.615 -13.360 1.00 0.00 C ATOM 856 C GLU A 58 -7.218 -7.944 -13.377 1.00 0.00 C ATOM 857 O GLU A 58 -6.828 -9.105 -13.502 1.00 0.00 O ATOM 858 CB GLU A 58 -9.077 -6.809 -14.607 1.00 0.00 C ATOM 859 CG GLU A 58 -10.565 -6.809 -14.913 1.00 0.00 C ATOM 860 CD GLU A 58 -10.878 -6.257 -16.290 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.243 -6.707 -17.267 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.756 -5.375 -16.391 1.00 0.00 O ATOM 0 H GLU A 58 -9.312 -5.901 -12.315 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.269 -8.549 -13.361 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.741 -5.780 -14.477 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.538 -7.214 -15.464 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.947 -7.827 -14.838 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.087 -6.217 -14.161 1.00 0.00 H new ATOM 869 N PHE A 59 -6.389 -6.912 -13.249 1.00 0.00 N ATOM 870 CA PHE A 59 -4.942 -7.090 -13.251 1.00 0.00 C ATOM 871 C PHE A 59 -4.513 -8.075 -12.167 1.00 0.00 C ATOM 872 O PHE A 59 -3.599 -8.875 -12.367 1.00 0.00 O ATOM 873 CB PHE A 59 -4.241 -5.746 -13.041 1.00 0.00 C ATOM 874 CG PHE A 59 -2.753 -5.810 -13.229 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.210 -6.326 -14.395 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.896 -5.353 -12.241 1.00 0.00 C ATOM 877 CE1 PHE A 59 -0.840 -6.386 -14.571 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.526 -5.410 -12.412 1.00 0.00 C ATOM 879 CZ PHE A 59 0.003 -5.928 -13.578 1.00 0.00 C ATOM 0 H PHE A 59 -6.695 -5.945 -13.143 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.653 -7.495 -14.221 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.656 -5.016 -13.736 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.457 -5.386 -12.035 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.865 -6.685 -15.175 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.303 -4.948 -11.327 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.430 -6.791 -15.484 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.131 -5.050 -11.634 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.074 -5.975 -13.713 1.00 0.00 H new ATOM 889 N ILE A 60 -5.180 -8.009 -11.020 1.00 0.00 N ATOM 890 CA ILE A 60 -4.869 -8.894 -9.904 1.00 0.00 C ATOM 891 C ILE A 60 -5.209 -10.342 -10.240 1.00 0.00 C ATOM 892 O ILE A 60 -4.415 -11.250 -9.993 1.00 0.00 O ATOM 893 CB ILE A 60 -5.629 -8.482 -8.630 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.949 -7.281 -7.969 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.710 -9.652 -7.660 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.652 -7.630 -7.272 1.00 0.00 C ATOM 0 H ILE A 60 -5.939 -7.352 -10.839 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.798 -8.808 -9.722 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.643 -8.194 -8.907 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.752 -6.522 -8.727 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.634 -6.839 -7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.250 -9.345 -6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.235 -10.482 -8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.703 -9.968 -7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.225 -6.731 -6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.845 -8.366 -6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.950 -8.044 -7.996 1.00 0.00 H new ATOM 908 N SER A 61 -6.393 -10.550 -10.806 1.00 0.00 N ATOM 909 CA SER A 61 -6.840 -11.888 -11.175 1.00 0.00 C ATOM 910 C SER A 61 -5.764 -12.620 -11.971 1.00 0.00 C ATOM 911 O SER A 61 -5.690 -13.849 -11.953 1.00 0.00 O ATOM 912 CB SER A 61 -8.131 -11.810 -11.993 1.00 0.00 C ATOM 913 OG SER A 61 -8.449 -13.068 -12.564 1.00 0.00 O ATOM 0 H SER A 61 -7.061 -9.809 -11.019 1.00 0.00 H new ATOM 0 HA SER A 61 -7.032 -12.446 -10.258 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.950 -11.479 -11.355 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.021 -11.066 -12.782 1.00 0.00 H new ATOM 0 HG SER A 61 -9.279 -12.993 -13.080 1.00 0.00 H new ATOM 919 N PHE A 62 -4.930 -11.855 -12.669 1.00 0.00 N ATOM 920 CA PHE A 62 -3.858 -12.430 -13.473 1.00 0.00 C ATOM 921 C PHE A 62 -2.774 -13.032 -12.583 1.00 0.00 C ATOM 922 O PHE A 62 -2.254 -14.112 -12.865 1.00 0.00 O ATOM 923 CB PHE A 62 -3.249 -11.364 -14.387 1.00 0.00 C ATOM 924 CG PHE A 62 -2.542 -11.932 -15.583 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.495 -12.826 -15.426 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.925 -11.574 -16.866 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.842 -13.350 -16.525 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.276 -12.096 -17.969 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.234 -12.985 -17.799 1.00 0.00 C ATOM 0 H PHE A 62 -4.976 -10.836 -12.694 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.283 -13.225 -14.086 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.039 -10.694 -14.726 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.546 -10.762 -13.811 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.186 -13.117 -14.433 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.740 -10.879 -17.005 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.026 -14.044 -16.389 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.584 -11.808 -18.963 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.726 -13.394 -18.660 1.00 0.00 H new ATOM 939 N CYS A 63 -2.438 -12.325 -11.510 1.00 0.00 N ATOM 940 CA CYS A 63 -1.415 -12.788 -10.579 1.00 0.00 C ATOM 941 C CYS A 63 -1.961 -13.886 -9.673 1.00 0.00 C ATOM 942 O CYS A 63 -1.297 -14.893 -9.431 1.00 0.00 O ATOM 943 CB CYS A 63 -0.900 -11.622 -9.734 1.00 0.00 C ATOM 944 SG CYS A 63 0.429 -12.069 -8.592 1.00 0.00 S ATOM 0 H CYS A 63 -2.859 -11.429 -11.263 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.589 -13.199 -11.160 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.544 -10.835 -10.399 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.730 -11.206 -9.163 1.00 0.00 H new ATOM 0 HG CYS A 63 1.098 -11.003 -8.266 1.00 0.00 H new ATOM 950 N ASN A 64 -3.176 -13.684 -9.172 1.00 0.00 N ATOM 951 CA ASN A 64 -3.811 -14.656 -8.290 1.00 0.00 C ATOM 952 C ASN A 64 -3.922 -16.017 -8.971 1.00 0.00 C ATOM 953 O ASN A 64 -4.035 -17.047 -8.307 1.00 0.00 O ATOM 954 CB ASN A 64 -5.200 -14.167 -7.873 1.00 0.00 C ATOM 955 CG ASN A 64 -5.246 -13.728 -6.423 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.695 -14.473 -5.551 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.783 -12.512 -6.157 1.00 0.00 N ATOM 0 H ASN A 64 -3.740 -12.856 -9.362 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.189 -14.764 -7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.496 -13.335 -8.511 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.926 -14.964 -8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.790 -12.162 -5.199 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.420 -11.928 -6.911 1.00 0.00 H new ATOM 964 N ALA A 65 -3.889 -16.012 -10.300 1.00 0.00 N ATOM 965 CA ALA A 65 -3.984 -17.246 -11.070 1.00 0.00 C ATOM 966 C ALA A 65 -2.627 -17.935 -11.172 1.00 0.00 C ATOM 967 O ALA A 65 -2.546 -19.121 -11.486 1.00 0.00 O ATOM 968 CB ALA A 65 -4.537 -16.959 -12.459 1.00 0.00 C ATOM 0 H ALA A 65 -3.797 -15.168 -10.865 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.666 -17.919 -10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.603 -17.889 -13.024 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.529 -16.517 -12.371 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.875 -16.266 -12.978 1.00 0.00 H new ATOM 974 N ASN A 66 -1.565 -17.182 -10.904 1.00 0.00 N ATOM 975 CA ASN A 66 -0.211 -17.721 -10.966 1.00 0.00 C ATOM 976 C ASN A 66 0.010 -18.488 -12.267 1.00 0.00 C ATOM 977 O ASN A 66 0.414 -19.651 -12.270 1.00 0.00 O ATOM 978 CB ASN A 66 0.050 -18.639 -9.770 1.00 0.00 C ATOM 979 CG ASN A 66 0.386 -17.864 -8.510 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.539 -17.828 -8.079 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.622 -17.240 -7.913 1.00 0.00 N ATOM 0 H ASN A 66 -1.616 -16.198 -10.642 1.00 0.00 H new ATOM 0 HA ASN A 66 0.488 -16.885 -10.934 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.830 -19.256 -9.590 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.871 -19.316 -10.007 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.457 -16.703 -7.062 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.562 -17.297 -8.306 1.00 0.00 H new ATOM 988 N PRO A 67 -0.260 -17.822 -13.400 1.00 0.00 N ATOM 989 CA PRO A 67 -0.097 -18.420 -14.728 1.00 0.00 C ATOM 990 C PRO A 67 1.368 -18.637 -15.090 1.00 0.00 C ATOM 991 O PRO A 67 1.702 -19.550 -15.844 1.00 0.00 O ATOM 992 CB PRO A 67 -0.731 -17.386 -15.662 1.00 0.00 C ATOM 993 CG PRO A 67 -0.619 -16.094 -14.930 1.00 0.00 C ATOM 994 CD PRO A 67 -0.745 -16.433 -13.470 1.00 0.00 C ATOM 0 HA PRO A 67 -0.554 -19.408 -14.789 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.210 -17.345 -16.619 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.771 -17.631 -15.876 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.335 -15.610 -15.137 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.402 -15.401 -15.239 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.146 -15.766 -12.849 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.776 -16.349 -13.125 1.00 0.00 H new ATOM 1002 N GLY A 68 2.239 -17.793 -14.546 1.00 0.00 N ATOM 1003 CA GLY A 68 3.658 -17.910 -14.824 1.00 0.00 C ATOM 1004 C GLY A 68 4.192 -16.738 -15.623 1.00 0.00 C ATOM 1005 O GLY A 68 5.351 -16.738 -16.040 1.00 0.00 O ATOM 0 H GLY A 68 1.987 -17.030 -13.918 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.204 -17.983 -13.884 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.842 -18.834 -15.373 1.00 0.00 H new ATOM 1009 N LEU A 69 3.345 -15.737 -15.839 1.00 0.00 N ATOM 1010 CA LEU A 69 3.737 -14.554 -16.596 1.00 0.00 C ATOM 1011 C LEU A 69 4.044 -13.387 -15.662 1.00 0.00 C ATOM 1012 O LEU A 69 5.141 -12.829 -15.690 1.00 0.00 O ATOM 1013 CB LEU A 69 2.630 -14.160 -17.575 1.00 0.00 C ATOM 1014 CG LEU A 69 2.204 -15.236 -18.575 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.422 -15.859 -19.240 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.367 -16.303 -17.885 1.00 0.00 C ATOM 0 H LEU A 69 2.383 -15.721 -15.501 1.00 0.00 H new ATOM 0 HA LEU A 69 4.640 -14.795 -17.157 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.754 -13.859 -17.000 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.961 -13.284 -18.133 1.00 0.00 H new ATOM 0 HG LEU A 69 1.594 -14.767 -19.347 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.099 -16.622 -19.948 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.983 -15.088 -19.768 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.058 -16.314 -18.481 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.073 -17.061 -18.611 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.953 -16.769 -17.092 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.475 -15.845 -17.456 1.00 0.00 H new ATOM 1028 N MET A 70 3.069 -13.026 -14.835 1.00 0.00 N ATOM 1029 CA MET A 70 3.236 -11.928 -13.890 1.00 0.00 C ATOM 1030 C MET A 70 4.390 -12.206 -12.932 1.00 0.00 C ATOM 1031 O MET A 70 4.909 -11.295 -12.286 1.00 0.00 O ATOM 1032 CB MET A 70 1.945 -11.705 -13.100 1.00 0.00 C ATOM 1033 CG MET A 70 0.795 -11.188 -13.949 1.00 0.00 C ATOM 1034 SD MET A 70 0.621 -9.395 -13.865 1.00 0.00 S ATOM 1035 CE MET A 70 1.426 -8.905 -15.388 1.00 0.00 C ATOM 0 H MET A 70 2.155 -13.478 -14.800 1.00 0.00 H new ATOM 0 HA MET A 70 3.467 -11.026 -14.457 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.648 -12.644 -12.633 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.139 -10.996 -12.295 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.951 -11.486 -14.986 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.133 -11.655 -13.620 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.543 -7.821 -15.406 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.407 -9.377 -15.449 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.819 -9.218 -16.237 1.00 0.00 H new ATOM 1045 N LYS A 71 4.788 -13.471 -12.844 1.00 0.00 N ATOM 1046 CA LYS A 71 5.882 -13.870 -11.966 1.00 0.00 C ATOM 1047 C LYS A 71 7.145 -13.071 -12.272 1.00 0.00 C ATOM 1048 O LYS A 71 7.758 -12.493 -11.374 1.00 0.00 O ATOM 1049 CB LYS A 71 6.164 -15.367 -12.117 1.00 0.00 C ATOM 1050 CG LYS A 71 5.134 -16.251 -11.436 1.00 0.00 C ATOM 1051 CD LYS A 71 5.766 -17.516 -10.879 1.00 0.00 C ATOM 1052 CE LYS A 71 6.095 -18.507 -11.984 1.00 0.00 C ATOM 1053 NZ LYS A 71 7.106 -19.510 -11.546 1.00 0.00 N ATOM 0 H LYS A 71 4.369 -14.238 -13.370 1.00 0.00 H new ATOM 0 HA LYS A 71 5.583 -13.664 -10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.200 -15.616 -13.177 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.149 -15.586 -11.704 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.654 -15.697 -10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.353 -16.517 -12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.675 -17.261 -10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.086 -17.979 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.185 -19.020 -12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.470 -17.969 -12.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.304 -20.168 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.983 -19.022 -11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.738 -20.041 -10.731 1.00 0.00 H new ATOM 1067 N ASP A 72 7.527 -13.041 -13.544 1.00 0.00 N ATOM 1068 CA ASP A 72 8.715 -12.310 -13.968 1.00 0.00 C ATOM 1069 C ASP A 72 8.397 -10.834 -14.184 1.00 0.00 C ATOM 1070 O ASP A 72 9.258 -9.971 -14.011 1.00 0.00 O ATOM 1071 CB ASP A 72 9.281 -12.916 -15.253 1.00 0.00 C ATOM 1072 CG ASP A 72 8.214 -13.144 -16.305 1.00 0.00 C ATOM 1073 OD1 ASP A 72 7.845 -12.172 -16.997 1.00 0.00 O ATOM 1074 OD2 ASP A 72 7.747 -14.295 -16.436 1.00 0.00 O ATOM 0 H ASP A 72 7.031 -13.514 -14.299 1.00 0.00 H new ATOM 0 HA ASP A 72 9.462 -12.390 -13.178 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.048 -12.255 -15.656 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.767 -13.864 -15.021 1.00 0.00 H new ATOM 1079 N VAL A 73 7.155 -10.551 -14.565 1.00 0.00 N ATOM 1080 CA VAL A 73 6.723 -9.179 -14.805 1.00 0.00 C ATOM 1081 C VAL A 73 6.779 -8.353 -13.525 1.00 0.00 C ATOM 1082 O VAL A 73 7.342 -7.259 -13.504 1.00 0.00 O ATOM 1083 CB VAL A 73 5.292 -9.133 -15.371 1.00 0.00 C ATOM 1084 CG1 VAL A 73 4.899 -7.704 -15.716 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.172 -10.036 -16.590 1.00 0.00 C ATOM 0 H VAL A 73 6.431 -11.253 -14.714 1.00 0.00 H new ATOM 0 HA VAL A 73 7.409 -8.754 -15.538 1.00 0.00 H new ATOM 0 HB VAL A 73 4.606 -9.499 -14.607 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.885 -7.692 -16.115 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.944 -7.088 -14.818 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.587 -7.308 -16.463 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.154 -9.991 -16.977 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.868 -9.702 -17.360 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.408 -11.062 -16.307 1.00 0.00 H new ATOM 1095 N ALA A 74 6.191 -8.885 -12.458 1.00 0.00 N ATOM 1096 CA ALA A 74 6.175 -8.199 -11.173 1.00 0.00 C ATOM 1097 C ALA A 74 7.590 -7.993 -10.643 1.00 0.00 C ATOM 1098 O ALA A 74 7.817 -7.182 -9.744 1.00 0.00 O ATOM 1099 CB ALA A 74 5.342 -8.980 -10.167 1.00 0.00 C ATOM 0 H ALA A 74 5.719 -9.789 -12.459 1.00 0.00 H new ATOM 0 HA ALA A 74 5.723 -7.218 -11.319 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.339 -8.455 -9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.320 -9.071 -10.534 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.770 -9.974 -10.034 1.00 0.00 H new ATOM 1105 N LYS A 75 8.541 -8.732 -11.205 1.00 0.00 N ATOM 1106 CA LYS A 75 9.935 -8.630 -10.791 1.00 0.00 C ATOM 1107 C LYS A 75 10.611 -7.430 -11.446 1.00 0.00 C ATOM 1108 O LYS A 75 11.570 -6.875 -10.908 1.00 0.00 O ATOM 1109 CB LYS A 75 10.690 -9.912 -11.149 1.00 0.00 C ATOM 1110 CG LYS A 75 11.663 -9.743 -12.303 1.00 0.00 C ATOM 1111 CD LYS A 75 12.094 -11.086 -12.870 1.00 0.00 C ATOM 1112 CE LYS A 75 12.620 -12.008 -11.781 1.00 0.00 C ATOM 1113 NZ LYS A 75 13.896 -12.665 -12.180 1.00 0.00 N ATOM 0 H LYS A 75 8.371 -9.409 -11.949 1.00 0.00 H new ATOM 0 HA LYS A 75 9.957 -8.492 -9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.236 -10.259 -10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.969 -10.689 -11.403 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.197 -9.148 -13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.540 -9.192 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.249 -11.558 -13.371 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.867 -10.933 -13.623 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.776 -11.437 -10.866 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.873 -12.770 -11.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.222 -13.285 -11.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.742 -13.230 -13.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.616 -11.939 -12.368 1.00 0.00 H new ATOM 1127 N VAL A 76 10.106 -7.033 -12.609 1.00 0.00 N ATOM 1128 CA VAL A 76 10.659 -5.897 -13.336 1.00 0.00 C ATOM 1129 C VAL A 76 9.990 -4.595 -12.913 1.00 0.00 C ATOM 1130 O VAL A 76 10.160 -3.559 -13.556 1.00 0.00 O ATOM 1131 CB VAL A 76 10.500 -6.072 -14.858 1.00 0.00 C ATOM 1132 CG1 VAL A 76 11.496 -5.198 -15.604 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.665 -7.534 -15.246 1.00 0.00 C ATOM 0 H VAL A 76 9.314 -7.482 -13.069 1.00 0.00 H new ATOM 0 HA VAL A 76 11.720 -5.853 -13.092 1.00 0.00 H new ATOM 0 HB VAL A 76 9.495 -5.756 -15.139 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.368 -5.336 -16.678 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.325 -4.152 -15.349 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.510 -5.479 -15.321 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.550 -7.639 -16.325 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.656 -7.879 -14.952 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.908 -8.132 -14.740 1.00 0.00 H new ATOM 1143 N PHE A 77 9.228 -4.654 -11.825 1.00 0.00 N ATOM 1144 CA PHE A 77 8.532 -3.479 -11.315 1.00 0.00 C ATOM 1145 C PHE A 77 9.490 -2.566 -10.554 1.00 0.00 C ATOM 1146 O PHE A 77 9.101 -1.500 -10.079 1.00 0.00 O ATOM 1147 CB PHE A 77 7.378 -3.899 -10.402 1.00 0.00 C ATOM 1148 CG PHE A 77 7.793 -4.122 -8.976 1.00 0.00 C ATOM 1149 CD1 PHE A 77 8.963 -4.801 -8.678 1.00 0.00 C ATOM 1150 CD2 PHE A 77 7.011 -3.653 -7.932 1.00 0.00 C ATOM 1151 CE1 PHE A 77 9.348 -5.007 -7.367 1.00 0.00 C ATOM 1152 CE2 PHE A 77 7.390 -3.856 -6.619 1.00 0.00 C ATOM 1153 CZ PHE A 77 8.560 -4.535 -6.336 1.00 0.00 C ATOM 0 H PHE A 77 9.077 -5.503 -11.280 1.00 0.00 H new ATOM 0 HA PHE A 77 8.131 -2.928 -12.166 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.604 -3.132 -10.431 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.933 -4.815 -10.790 1.00 0.00 H new ATOM 0 HD1 PHE A 77 9.582 -5.174 -9.480 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.095 -3.123 -8.147 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.264 -5.536 -7.149 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.773 -3.484 -5.815 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.857 -4.696 -5.310 1.00 0.00 H new