USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 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 87 THR OG1 : rot 180:sc= -0.0709 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.0898 K(o=-0.16,f=-3.6!) USER MOD Set 2.1: A 55 MET CE :methyl -110:sc= -4.51 (180deg=-6.48!) USER MOD Set 2.2: A 79 GLN : amide:sc= -6.14! C(o=-11!,f=-13!) USER MOD Set 3.1: A 61 SER OG : rot -80:sc= -0.818 USER MOD Set 3.2: A 67 MET CE :methyl 148:sc= -0.0308 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.42! K(o=-1.4!,f=-0.77) USER MOD Single : A 21 GLN : amide:sc= -3.78! K(o=-3.8!,f=-2) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.01 K(o=-1,f=-0.47) USER MOD Single : A 40 TYR OH : rot 79:sc= -0.765 USER MOD Single : A 54 LYS NZ :NH3+ -128:sc= 1.1 (180deg=0.0777) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.0839 (180deg=-0.37) USER MOD Single : A 64 SER OG : rot -20:sc= 0.173 USER MOD Single : A 70 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.51) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -15:sc= 0.94 USER MOD Single : A 81 LYS NZ :NH3+ -114:sc= -1.14 (180deg=-3.21!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -16:sc= 0.139 USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= -1.63 (180deg=-1.71) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 9 6.779 -2.131 10.153 1.00 1.01 N ATOM 104 CA GLY A 9 5.458 -2.429 9.631 1.00 1.09 C ATOM 105 C GLY A 9 4.592 -1.189 9.508 1.00 1.08 C ATOM 106 O GLY A 9 3.620 -1.177 8.752 1.00 1.26 O ATOM 0 HA2 GLY A 9 5.555 -2.900 8.653 1.00 1.09 H new ATOM 0 HA3 GLY A 9 4.966 -3.149 10.285 1.00 1.09 H new ATOM 110 N LYS A 10 4.948 -0.147 10.255 1.00 1.12 N ATOM 111 CA LYS A 10 4.200 1.109 10.241 1.00 1.33 C ATOM 112 C LYS A 10 4.066 1.683 8.825 1.00 1.14 C ATOM 113 O LYS A 10 2.969 2.068 8.417 1.00 1.22 O ATOM 114 CB LYS A 10 4.866 2.136 11.164 1.00 1.68 C ATOM 115 CG LYS A 10 4.172 3.489 11.173 1.00 2.23 C ATOM 116 CD LYS A 10 4.883 4.475 12.087 1.00 3.07 C ATOM 117 CE LYS A 10 4.150 5.806 12.151 1.00 3.89 C ATOM 118 NZ LYS A 10 4.866 6.794 13.005 1.00 4.57 N ATOM 0 H LYS A 10 5.754 -0.147 10.881 1.00 1.12 H new ATOM 0 HA LYS A 10 3.196 0.893 10.605 1.00 1.33 H new ATOM 0 HB2 LYS A 10 4.885 1.740 12.180 1.00 1.68 H new ATOM 0 HB3 LYS A 10 5.903 2.271 10.855 1.00 1.68 H new ATOM 0 HG2 LYS A 10 4.140 3.889 10.160 1.00 2.23 H new ATOM 0 HG3 LYS A 10 3.140 3.367 11.501 1.00 2.23 H new ATOM 0 HD2 LYS A 10 4.960 4.053 13.089 1.00 3.07 H new ATOM 0 HD3 LYS A 10 5.900 4.636 11.729 1.00 3.07 H new ATOM 0 HE2 LYS A 10 4.040 6.209 11.144 1.00 3.89 H new ATOM 0 HE3 LYS A 10 3.145 5.649 12.543 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 4.334 7.688 13.023 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 4.949 6.421 13.972 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 5.816 6.964 12.617 1.00 4.57 H new ATOM 132 N PRO A 11 5.170 1.756 8.049 1.00 1.03 N ATOM 133 CA PRO A 11 5.129 2.294 6.687 1.00 1.05 C ATOM 134 C PRO A 11 4.308 1.415 5.756 1.00 0.77 C ATOM 135 O PRO A 11 3.330 1.869 5.162 1.00 0.72 O ATOM 136 CB PRO A 11 6.595 2.306 6.235 1.00 1.20 C ATOM 137 CG PRO A 11 7.406 2.042 7.459 1.00 1.49 C ATOM 138 CD PRO A 11 6.522 1.319 8.422 1.00 1.15 C ATOM 0 HA PRO A 11 4.663 3.279 6.663 1.00 1.05 H new ATOM 0 HB2 PRO A 11 6.775 1.545 5.476 1.00 1.20 H new ATOM 0 HB3 PRO A 11 6.859 3.266 5.792 1.00 1.20 H new ATOM 0 HG2 PRO A 11 8.284 1.443 7.218 1.00 1.49 H new ATOM 0 HG3 PRO A 11 7.766 2.975 7.892 1.00 1.49 H new ATOM 0 HD2 PRO A 11 6.632 0.238 8.333 1.00 1.15 H new ATOM 0 HD3 PRO A 11 6.757 1.579 9.454 1.00 1.15 H new ATOM 146 N LEU A 12 4.716 0.154 5.633 1.00 0.70 N ATOM 147 CA LEU A 12 4.025 -0.799 4.771 1.00 0.57 C ATOM 148 C LEU A 12 2.531 -0.816 5.071 1.00 0.48 C ATOM 149 O LEU A 12 1.714 -1.093 4.193 1.00 0.53 O ATOM 150 CB LEU A 12 4.618 -2.197 4.952 1.00 0.61 C ATOM 151 CG LEU A 12 4.342 -3.178 3.811 1.00 0.58 C ATOM 152 CD1 LEU A 12 4.940 -2.670 2.507 1.00 1.01 C ATOM 153 CD2 LEU A 12 4.897 -4.550 4.150 1.00 0.91 C ATOM 0 H LEU A 12 5.524 -0.231 6.121 1.00 0.70 H new ATOM 0 HA LEU A 12 4.161 -0.488 3.735 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.697 -2.103 5.075 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.228 -2.622 5.877 1.00 0.61 H new ATOM 0 HG LEU A 12 3.263 -3.260 3.682 1.00 0.58 H new ATOM 0 HD11 LEU A 12 4.732 -3.383 1.709 1.00 1.01 H new ATOM 0 HD12 LEU A 12 4.499 -1.705 2.256 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.018 -2.557 2.621 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.693 -5.238 3.329 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.974 -4.479 4.305 1.00 0.91 H new ATOM 0 HD23 LEU A 12 4.423 -4.920 5.059 1.00 0.91 H new ATOM 165 N SER A 13 2.184 -0.520 6.319 1.00 0.52 N ATOM 166 CA SER A 13 0.788 -0.484 6.736 1.00 0.61 C ATOM 167 C SER A 13 0.058 0.648 6.028 1.00 0.58 C ATOM 168 O SER A 13 -1.065 0.479 5.551 1.00 0.69 O ATOM 169 CB SER A 13 0.694 -0.303 8.253 1.00 0.78 C ATOM 170 OG SER A 13 -0.658 -0.274 8.681 1.00 1.39 O ATOM 0 H SER A 13 2.851 -0.302 7.059 1.00 0.52 H new ATOM 0 HA SER A 13 0.318 -1.429 6.465 1.00 0.61 H new ATOM 0 HB2 SER A 13 1.219 -1.117 8.753 1.00 0.78 H new ATOM 0 HB3 SER A 13 1.191 0.623 8.543 1.00 0.78 H new ATOM 0 HG SER A 13 -0.691 -0.159 9.654 1.00 1.39 H new ATOM 176 N GLY A 14 0.709 1.804 5.966 1.00 0.56 N ATOM 177 CA GLY A 14 0.125 2.955 5.307 1.00 0.59 C ATOM 178 C GLY A 14 0.804 3.258 3.987 1.00 0.55 C ATOM 179 O GLY A 14 0.802 4.398 3.527 1.00 0.58 O ATOM 0 H GLY A 14 1.635 1.964 6.363 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -0.936 2.775 5.136 1.00 0.59 H new ATOM 0 HA3 GLY A 14 0.200 3.824 5.961 1.00 0.59 H new ATOM 183 N LEU A 15 1.397 2.231 3.385 1.00 0.52 N ATOM 184 CA LEU A 15 2.083 2.379 2.104 1.00 0.52 C ATOM 185 C LEU A 15 1.071 2.617 0.991 1.00 0.46 C ATOM 186 O LEU A 15 1.044 3.685 0.383 1.00 0.47 O ATOM 187 CB LEU A 15 2.908 1.127 1.800 1.00 0.57 C ATOM 188 CG LEU A 15 4.398 1.361 1.508 1.00 0.69 C ATOM 189 CD1 LEU A 15 4.571 2.272 0.301 1.00 0.97 C ATOM 190 CD2 LEU A 15 5.111 1.945 2.723 1.00 1.10 C ATOM 0 H LEU A 15 1.416 1.284 3.765 1.00 0.52 H new ATOM 0 HA LEU A 15 2.752 3.238 2.163 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.826 0.447 2.648 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.464 0.622 0.942 1.00 0.57 H new ATOM 0 HG LEU A 15 4.851 0.395 1.282 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.633 2.426 0.110 1.00 0.97 H new ATOM 0 HD12 LEU A 15 4.109 1.811 -0.572 1.00 0.97 H new ATOM 0 HD13 LEU A 15 4.095 3.233 0.499 1.00 0.97 H new ATOM 0 HD21 LEU A 15 6.164 2.100 2.487 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.655 2.898 2.989 1.00 1.10 H new ATOM 0 HD23 LEU A 15 5.025 1.255 3.562 1.00 1.10 H new ATOM 202 N LEU A 16 0.231 1.613 0.738 1.00 0.45 N ATOM 203 CA LEU A 16 -0.797 1.711 -0.296 1.00 0.42 C ATOM 204 C LEU A 16 -1.635 2.967 -0.081 1.00 0.40 C ATOM 205 O LEU A 16 -2.289 3.461 -1.000 1.00 0.41 O ATOM 206 CB LEU A 16 -1.717 0.477 -0.285 1.00 0.47 C ATOM 207 CG LEU A 16 -1.038 -0.890 -0.102 1.00 0.53 C ATOM 208 CD1 LEU A 16 0.247 -0.987 -0.913 1.00 0.86 C ATOM 209 CD2 LEU A 16 -0.770 -1.170 1.369 1.00 0.92 C ATOM 0 H LEU A 16 0.243 0.723 1.236 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.296 1.762 -1.263 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.447 0.604 0.515 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.272 0.458 -1.223 1.00 0.47 H new ATOM 0 HG LEU A 16 -1.724 -1.650 -0.476 1.00 0.53 H new ATOM 0 HD11 LEU A 16 0.701 -1.966 -0.760 1.00 0.86 H new ATOM 0 HD12 LEU A 16 0.021 -0.853 -1.971 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.941 -0.211 -0.589 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -0.289 -2.143 1.473 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.116 -0.397 1.773 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -1.712 -1.171 1.917 1.00 0.92 H new ATOM 221 N ASN A 17 -1.603 3.471 1.147 1.00 0.40 N ATOM 222 CA ASN A 17 -2.351 4.662 1.521 1.00 0.42 C ATOM 223 C ASN A 17 -1.613 5.936 1.113 1.00 0.38 C ATOM 224 O ASN A 17 -2.168 6.795 0.427 1.00 0.42 O ATOM 225 CB ASN A 17 -2.586 4.659 3.033 1.00 0.47 C ATOM 226 CG ASN A 17 -3.549 3.570 3.470 1.00 1.38 C ATOM 227 OD1 ASN A 17 -3.445 3.045 4.579 1.00 1.93 O ATOM 228 ND2 ASN A 17 -4.493 3.224 2.601 1.00 2.33 N ATOM 0 H ASN A 17 -1.059 3.066 1.909 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.306 4.647 0.996 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -1.633 4.524 3.545 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -2.977 5.629 3.338 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -5.167 2.498 2.843 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -4.543 3.685 1.692 1.00 2.33 H new ATOM 235 N ALA A 18 -0.360 6.049 1.540 1.00 0.37 N ATOM 236 CA ALA A 18 0.462 7.216 1.235 1.00 0.37 C ATOM 237 C ALA A 18 0.664 7.388 -0.267 1.00 0.38 C ATOM 238 O ALA A 18 0.764 8.507 -0.768 1.00 0.44 O ATOM 239 CB ALA A 18 1.807 7.100 1.928 1.00 0.42 C ATOM 0 H ALA A 18 0.112 5.341 2.103 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.064 8.097 1.603 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.413 7.975 1.695 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.657 7.040 3.006 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.318 6.202 1.582 1.00 0.42 H new ATOM 245 N LEU A 19 0.715 6.269 -0.981 1.00 0.42 N ATOM 246 CA LEU A 19 0.922 6.277 -2.426 1.00 0.48 C ATOM 247 C LEU A 19 -0.271 6.876 -3.168 1.00 0.52 C ATOM 248 O LEU A 19 -0.312 6.867 -4.399 1.00 0.69 O ATOM 249 CB LEU A 19 1.173 4.854 -2.917 1.00 0.51 C ATOM 250 CG LEU A 19 2.351 4.143 -2.252 1.00 0.61 C ATOM 251 CD1 LEU A 19 2.215 2.636 -2.401 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.666 4.624 -2.845 1.00 0.94 C ATOM 0 H LEU A 19 0.615 5.337 -0.579 1.00 0.42 H new ATOM 0 HA LEU A 19 1.790 6.902 -2.635 1.00 0.48 H new ATOM 0 HB2 LEU A 19 0.271 4.264 -2.753 1.00 0.51 H new ATOM 0 HB3 LEU A 19 1.344 4.881 -3.993 1.00 0.51 H new ATOM 0 HG LEU A 19 2.346 4.384 -1.189 1.00 0.61 H new ATOM 0 HD11 LEU A 19 3.062 2.145 -1.922 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.290 2.306 -1.929 1.00 0.77 H new ATOM 0 HD13 LEU A 19 2.196 2.375 -3.459 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.494 4.108 -2.360 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.682 4.412 -3.914 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.765 5.698 -2.687 1.00 0.94 H new ATOM 264 N ALA A 20 -1.240 7.392 -2.419 1.00 0.54 N ATOM 265 CA ALA A 20 -2.428 7.988 -3.015 1.00 0.64 C ATOM 266 C ALA A 20 -2.088 9.256 -3.794 1.00 0.78 C ATOM 267 O ALA A 20 -2.104 10.357 -3.247 1.00 1.59 O ATOM 268 CB ALA A 20 -3.462 8.287 -1.939 1.00 0.76 C ATOM 0 H ALA A 20 -1.225 7.409 -1.399 1.00 0.54 H new ATOM 0 HA ALA A 20 -2.846 7.269 -3.720 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.345 8.732 -2.397 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.742 7.361 -1.436 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.041 8.982 -1.213 1.00 0.76 H new ATOM 274 N GLN A 21 -1.771 9.089 -5.076 1.00 0.71 N ATOM 275 CA GLN A 21 -1.439 10.218 -5.936 1.00 0.81 C ATOM 276 C GLN A 21 -2.624 10.579 -6.825 1.00 1.05 C ATOM 277 O GLN A 21 -2.792 11.732 -7.219 1.00 1.54 O ATOM 278 CB GLN A 21 -0.213 9.897 -6.796 1.00 1.12 C ATOM 279 CG GLN A 21 1.085 9.856 -6.006 1.00 1.08 C ATOM 280 CD GLN A 21 2.298 9.589 -6.877 1.00 1.24 C ATOM 281 OE1 GLN A 21 2.317 9.934 -8.059 1.00 1.87 O ATOM 282 NE2 GLN A 21 3.319 8.975 -6.292 1.00 1.21 N ATOM 0 H GLN A 21 -1.738 8.182 -5.541 1.00 0.71 H new ATOM 0 HA GLN A 21 -1.205 11.073 -5.302 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -0.363 8.934 -7.284 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -0.126 10.644 -7.585 1.00 1.12 H new ATOM 0 HG2 GLN A 21 1.219 10.805 -5.487 1.00 1.08 H new ATOM 0 HG3 GLN A 21 1.015 9.082 -5.242 1.00 1.08 H new ATOM 0 HE21 GLN A 21 3.258 8.708 -5.310 1.00 1.21 H new ATOM 0 HE22 GLN A 21 4.164 8.771 -6.825 1.00 1.21 H new ATOM 404 N ILE A 30 -4.079 14.504 -0.142 1.00 1.02 N ATOM 405 CA ILE A 30 -2.732 13.943 -0.098 1.00 0.84 C ATOM 406 C ILE A 30 -1.920 14.369 -1.319 1.00 0.87 C ATOM 407 O ILE A 30 -2.354 14.197 -2.459 1.00 1.18 O ATOM 408 CB ILE A 30 -2.772 12.402 -0.008 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.362 11.815 -0.119 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.678 11.831 -1.088 1.00 1.08 C ATOM 411 CD1 ILE A 30 -1.230 10.441 0.502 1.00 0.75 C ATOM 0 HA ILE A 30 -2.248 14.332 0.798 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.178 12.125 0.965 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.082 11.758 -1.171 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -0.656 12.492 0.362 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -3.695 10.744 -1.011 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.688 12.220 -0.959 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -3.301 12.119 -2.069 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.206 10.087 0.387 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -1.478 10.495 1.562 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.911 9.750 0.005 1.00 0.75 H new ATOM 423 N THR A 31 -0.739 14.927 -1.069 1.00 0.88 N ATOM 424 CA THR A 31 0.138 15.388 -2.140 1.00 0.97 C ATOM 425 C THR A 31 1.167 14.320 -2.503 1.00 0.86 C ATOM 426 O THR A 31 1.474 13.443 -1.696 1.00 0.78 O ATOM 427 CB THR A 31 0.873 16.682 -1.736 1.00 1.07 C ATOM 428 OG1 THR A 31 -0.066 17.639 -1.230 1.00 1.72 O ATOM 429 CG2 THR A 31 1.619 17.283 -2.919 1.00 1.06 C ATOM 0 H THR A 31 -0.367 15.071 -0.130 1.00 0.88 H new ATOM 0 HA THR A 31 -0.491 15.590 -3.007 1.00 0.97 H new ATOM 0 HB THR A 31 1.597 16.430 -0.962 1.00 1.07 H new ATOM 0 HG1 THR A 31 0.407 18.458 -0.974 1.00 1.72 H new ATOM 0 HG21 THR A 31 2.127 18.194 -2.604 1.00 1.06 H new ATOM 0 HG22 THR A 31 2.353 16.567 -3.288 1.00 1.06 H new ATOM 0 HG23 THR A 31 0.911 17.519 -3.714 1.00 1.06 H new ATOM 437 N GLU A 32 1.691 14.395 -3.724 1.00 0.93 N ATOM 438 CA GLU A 32 2.686 13.435 -4.183 1.00 0.95 C ATOM 439 C GLU A 32 3.939 13.499 -3.316 1.00 0.84 C ATOM 440 O GLU A 32 4.439 12.473 -2.857 1.00 0.91 O ATOM 441 CB GLU A 32 3.045 13.696 -5.647 1.00 1.15 C ATOM 442 CG GLU A 32 4.042 12.702 -6.218 1.00 1.47 C ATOM 443 CD GLU A 32 4.341 12.951 -7.683 1.00 1.59 C ATOM 444 OE1 GLU A 32 5.256 13.750 -7.975 1.00 1.98 O ATOM 445 OE2 GLU A 32 3.659 12.349 -8.539 1.00 1.56 O ATOM 0 H GLU A 32 1.443 15.108 -4.410 1.00 0.93 H new ATOM 0 HA GLU A 32 2.258 12.436 -4.099 1.00 0.95 H new ATOM 0 HB2 GLU A 32 2.134 13.668 -6.246 1.00 1.15 H new ATOM 0 HB3 GLU A 32 3.456 14.702 -5.737 1.00 1.15 H new ATOM 0 HG2 GLU A 32 4.969 12.755 -5.648 1.00 1.47 H new ATOM 0 HG3 GLU A 32 3.651 11.692 -6.098 1.00 1.47 H new ATOM 452 N GLU A 33 4.441 14.708 -3.089 1.00 0.80 N ATOM 453 CA GLU A 33 5.630 14.892 -2.265 1.00 0.79 C ATOM 454 C GLU A 33 5.337 14.489 -0.825 1.00 0.64 C ATOM 455 O GLU A 33 6.250 14.297 -0.020 1.00 0.70 O ATOM 456 CB GLU A 33 6.099 16.348 -2.312 1.00 0.97 C ATOM 457 CG GLU A 33 6.555 16.797 -3.691 1.00 1.63 C ATOM 458 CD GLU A 33 6.966 18.256 -3.721 1.00 2.05 C ATOM 459 OE1 GLU A 33 6.087 19.116 -3.944 1.00 2.64 O ATOM 460 OE2 GLU A 33 8.165 18.540 -3.521 1.00 2.36 O ATOM 0 H GLU A 33 4.046 15.571 -3.462 1.00 0.80 H new ATOM 0 HA GLU A 33 6.423 14.258 -2.660 1.00 0.79 H new ATOM 0 HB2 GLU A 33 5.286 16.994 -1.979 1.00 0.97 H new ATOM 0 HB3 GLU A 33 6.920 16.479 -1.607 1.00 0.97 H new ATOM 0 HG2 GLU A 33 7.395 16.180 -4.011 1.00 1.63 H new ATOM 0 HG3 GLU A 33 5.749 16.635 -4.407 1.00 1.63 H new ATOM 467 N LEU A 34 4.051 14.362 -0.513 1.00 0.54 N ATOM 468 CA LEU A 34 3.613 13.984 0.823 1.00 0.49 C ATOM 469 C LEU A 34 3.629 12.468 0.997 1.00 0.43 C ATOM 470 O LEU A 34 3.835 11.967 2.101 1.00 0.46 O ATOM 471 CB LEU A 34 2.205 14.515 1.079 1.00 0.57 C ATOM 472 CG LEU A 34 1.708 14.366 2.514 1.00 0.91 C ATOM 473 CD1 LEU A 34 2.433 15.333 3.437 1.00 1.75 C ATOM 474 CD2 LEU A 34 0.208 14.589 2.571 1.00 1.48 C ATOM 0 H LEU A 34 3.290 14.517 -1.174 1.00 0.54 H new ATOM 0 HA LEU A 34 4.305 14.421 1.543 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.177 15.571 0.809 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.512 13.998 0.415 1.00 0.57 H new ATOM 0 HG LEU A 34 1.922 13.353 2.854 1.00 0.91 H new ATOM 0 HD11 LEU A 34 2.064 15.210 4.455 1.00 1.75 H new ATOM 0 HD12 LEU A 34 3.503 15.127 3.412 1.00 1.75 H new ATOM 0 HD13 LEU A 34 2.253 16.356 3.106 1.00 1.75 H new ATOM 0 HD21 LEU A 34 -0.137 14.481 3.599 1.00 1.48 H new ATOM 0 HD22 LEU A 34 -0.025 15.592 2.214 1.00 1.48 H new ATOM 0 HD23 LEU A 34 -0.293 13.854 1.941 1.00 1.48 H new ATOM 486 N LEU A 35 3.411 11.749 -0.103 1.00 0.45 N ATOM 487 CA LEU A 35 3.386 10.292 -0.087 1.00 0.49 C ATOM 488 C LEU A 35 4.545 9.720 0.733 1.00 0.43 C ATOM 489 O LEU A 35 4.388 8.717 1.428 1.00 0.50 O ATOM 490 CB LEU A 35 3.412 9.764 -1.529 1.00 0.63 C ATOM 491 CG LEU A 35 4.789 9.381 -2.086 1.00 0.64 C ATOM 492 CD1 LEU A 35 5.131 7.942 -1.731 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.827 9.572 -3.596 1.00 1.08 C ATOM 0 H LEU A 35 3.248 12.159 -1.023 1.00 0.45 H new ATOM 0 HA LEU A 35 2.465 9.963 0.395 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.764 8.889 -1.585 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.979 10.523 -2.180 1.00 0.63 H new ATOM 0 HG LEU A 35 5.533 10.036 -1.632 1.00 0.64 H new ATOM 0 HD11 LEU A 35 6.111 7.691 -2.135 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.146 7.828 -0.647 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.381 7.274 -2.156 1.00 0.89 H new ATOM 0 HD21 LEU A 35 5.812 9.295 -3.973 1.00 1.08 H new ATOM 0 HD22 LEU A 35 4.070 8.941 -4.062 1.00 1.08 H new ATOM 0 HD23 LEU A 35 4.627 10.616 -3.836 1.00 1.08 H new ATOM 505 N ARG A 36 5.705 10.360 0.645 1.00 0.38 N ATOM 506 CA ARG A 36 6.883 9.917 1.384 1.00 0.38 C ATOM 507 C ARG A 36 6.852 10.438 2.819 1.00 0.34 C ATOM 508 O ARG A 36 6.887 9.664 3.776 1.00 0.37 O ATOM 509 CB ARG A 36 8.159 10.378 0.664 1.00 0.46 C ATOM 510 CG ARG A 36 9.269 10.864 1.587 1.00 1.18 C ATOM 511 CD ARG A 36 10.335 11.637 0.829 1.00 1.73 C ATOM 512 NE ARG A 36 11.228 12.357 1.739 1.00 2.64 N ATOM 513 CZ ARG A 36 12.413 12.849 1.387 1.00 3.41 C ATOM 514 NH1 ARG A 36 12.862 12.697 0.150 1.00 3.46 N ATOM 515 NH2 ARG A 36 13.154 13.495 2.278 1.00 4.28 N ATOM 0 H ARG A 36 5.856 11.188 0.069 1.00 0.38 H new ATOM 0 HA ARG A 36 6.879 8.828 1.425 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.540 9.552 0.063 1.00 0.46 H new ATOM 0 HB3 ARG A 36 7.901 11.181 -0.026 1.00 0.46 H new ATOM 0 HG2 ARG A 36 8.844 11.499 2.364 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.726 10.010 2.087 1.00 1.18 H new ATOM 0 HD2 ARG A 36 10.917 10.949 0.216 1.00 1.73 H new ATOM 0 HD3 ARG A 36 9.859 12.344 0.150 1.00 1.73 H new ATOM 0 HE ARG A 36 10.923 12.490 2.703 1.00 2.64 H new ATOM 0 HH11 ARG A 36 12.298 12.200 -0.540 1.00 3.46 H new ATOM 0 HH12 ARG A 36 13.771 13.077 -0.113 1.00 3.46 H new ATOM 0 HH21 ARG A 36 12.815 13.614 3.233 1.00 4.28 H new ATOM 0 HH22 ARG A 36 14.063 13.872 2.008 1.00 4.28 H new ATOM 529 N SER A 37 6.781 11.757 2.949 1.00 0.36 N ATOM 530 CA SER A 37 6.758 12.413 4.255 1.00 0.40 C ATOM 531 C SER A 37 5.678 11.836 5.169 1.00 0.40 C ATOM 532 O SER A 37 5.744 11.987 6.390 1.00 0.46 O ATOM 533 CB SER A 37 6.536 13.917 4.081 1.00 0.47 C ATOM 534 OG SER A 37 6.514 14.578 5.334 1.00 1.33 O ATOM 0 H SER A 37 6.738 12.401 2.159 1.00 0.36 H new ATOM 0 HA SER A 37 7.724 12.232 4.727 1.00 0.40 H new ATOM 0 HB2 SER A 37 7.328 14.335 3.460 1.00 0.47 H new ATOM 0 HB3 SER A 37 5.595 14.091 3.558 1.00 0.47 H new ATOM 0 HG SER A 37 6.372 15.538 5.195 1.00 1.33 H new ATOM 540 N GLN A 38 4.687 11.178 4.576 1.00 0.36 N ATOM 541 CA GLN A 38 3.589 10.593 5.340 1.00 0.39 C ATOM 542 C GLN A 38 4.083 9.569 6.361 1.00 0.43 C ATOM 543 O GLN A 38 3.866 9.733 7.562 1.00 0.67 O ATOM 544 CB GLN A 38 2.570 9.944 4.402 1.00 0.42 C ATOM 545 CG GLN A 38 1.551 10.919 3.835 1.00 0.74 C ATOM 546 CD GLN A 38 0.725 11.589 4.915 1.00 1.11 C ATOM 547 OE1 GLN A 38 -0.328 11.086 5.308 1.00 1.74 O ATOM 548 NE2 GLN A 38 1.197 12.731 5.402 1.00 1.84 N ATOM 0 H GLN A 38 4.621 11.036 3.568 1.00 0.36 H new ATOM 0 HA GLN A 38 3.110 11.405 5.888 1.00 0.39 H new ATOM 0 HB2 GLN A 38 3.101 9.467 3.578 1.00 0.42 H new ATOM 0 HB3 GLN A 38 2.044 9.156 4.941 1.00 0.42 H new ATOM 0 HG2 GLN A 38 2.068 11.681 3.252 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.888 10.389 3.151 1.00 0.74 H new ATOM 0 HE21 GLN A 38 2.074 13.113 5.048 1.00 1.84 H new ATOM 0 HE22 GLN A 38 0.682 13.226 6.130 1.00 1.84 H new ATOM 557 N LEU A 39 4.743 8.513 5.889 1.00 0.41 N ATOM 558 CA LEU A 39 5.238 7.472 6.786 1.00 0.53 C ATOM 559 C LEU A 39 6.729 7.205 6.591 1.00 0.51 C ATOM 560 O LEU A 39 7.460 7.007 7.562 1.00 0.61 O ATOM 561 CB LEU A 39 4.448 6.177 6.586 1.00 0.69 C ATOM 562 CG LEU A 39 2.926 6.331 6.654 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.352 6.608 5.273 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.292 5.088 7.258 1.00 1.07 C ATOM 0 H LEU A 39 4.946 8.357 4.902 1.00 0.41 H new ATOM 0 HA LEU A 39 5.097 7.832 7.805 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.712 5.754 5.617 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.760 5.458 7.344 1.00 0.69 H new ATOM 0 HG LEU A 39 2.695 7.182 7.296 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.269 6.714 5.343 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.782 7.529 4.878 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.593 5.780 4.606 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.210 5.215 7.299 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.533 4.221 6.643 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.678 4.936 8.266 1.00 1.07 H new ATOM 576 N TYR A 40 7.179 7.192 5.339 1.00 0.46 N ATOM 577 CA TYR A 40 8.588 6.942 5.041 1.00 0.48 C ATOM 578 C TYR A 40 9.300 8.221 4.611 1.00 0.42 C ATOM 579 O TYR A 40 9.296 8.566 3.433 1.00 0.46 O ATOM 580 CB TYR A 40 8.743 5.872 3.954 1.00 0.58 C ATOM 581 CG TYR A 40 7.619 5.832 2.939 1.00 0.63 C ATOM 582 CD1 TYR A 40 6.380 5.302 3.271 1.00 0.99 C ATOM 583 CD2 TYR A 40 7.793 6.335 1.655 1.00 0.89 C ATOM 584 CE1 TYR A 40 5.347 5.274 2.355 1.00 1.38 C ATOM 585 CE2 TYR A 40 6.766 6.309 0.732 1.00 1.30 C ATOM 586 CZ TYR A 40 5.566 5.736 1.066 1.00 1.48 C ATOM 587 OH TYR A 40 4.520 5.755 0.170 1.00 1.97 O ATOM 0 H TYR A 40 6.594 7.350 4.519 1.00 0.46 H new ATOM 0 HA TYR A 40 9.050 6.579 5.959 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.683 6.041 3.428 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.817 4.895 4.433 1.00 0.58 H new ATOM 0 HD1 TYR A 40 6.221 4.905 4.263 1.00 0.99 H new ATOM 0 HD2 TYR A 40 8.748 6.754 1.374 1.00 0.89 H new ATOM 0 HE1 TYR A 40 4.377 4.895 2.640 1.00 1.38 H new ATOM 0 HE2 TYR A 40 6.908 6.738 -0.249 1.00 1.30 H new ATOM 0 HH TYR A 40 3.952 6.534 0.347 1.00 1.97 H new ATOM 597 N PRO A 41 9.926 8.942 5.563 1.00 0.47 N ATOM 598 CA PRO A 41 10.642 10.185 5.266 1.00 0.51 C ATOM 599 C PRO A 41 11.997 9.937 4.609 1.00 0.57 C ATOM 600 O PRO A 41 12.598 10.850 4.043 1.00 0.79 O ATOM 601 CB PRO A 41 10.826 10.816 6.646 1.00 0.66 C ATOM 602 CG PRO A 41 10.895 9.657 7.578 1.00 0.75 C ATOM 603 CD PRO A 41 9.984 8.606 7.002 1.00 0.62 C ATOM 0 HA PRO A 41 10.098 10.811 4.559 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.735 11.416 6.690 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.995 11.477 6.895 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.916 9.285 7.662 1.00 0.75 H new ATOM 0 HG3 PRO A 41 10.576 9.943 8.580 1.00 0.75 H new ATOM 0 HD2 PRO A 41 10.378 7.603 7.163 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.996 8.638 7.461 1.00 0.62 H new ATOM 611 N GLU A 42 12.474 8.696 4.687 1.00 0.48 N ATOM 612 CA GLU A 42 13.761 8.338 4.099 1.00 0.55 C ATOM 613 C GLU A 42 13.628 8.085 2.600 1.00 0.57 C ATOM 614 O GLU A 42 14.404 8.613 1.804 1.00 0.71 O ATOM 615 CB GLU A 42 14.344 7.102 4.792 1.00 0.59 C ATOM 616 CG GLU A 42 13.432 5.887 4.750 1.00 0.58 C ATOM 617 CD GLU A 42 14.019 4.694 5.480 1.00 0.72 C ATOM 618 OE1 GLU A 42 14.839 3.972 4.874 1.00 0.94 O ATOM 619 OE2 GLU A 42 13.660 4.483 6.657 1.00 0.87 O ATOM 0 H GLU A 42 11.991 7.926 5.149 1.00 0.48 H new ATOM 0 HA GLU A 42 14.440 9.178 4.246 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.294 6.848 4.322 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.559 7.348 5.832 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.470 6.143 5.194 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.241 5.616 3.712 1.00 0.58 H new ATOM 626 N VAL A 43 12.642 7.277 2.220 1.00 0.52 N ATOM 627 CA VAL A 43 12.410 6.960 0.817 1.00 0.60 C ATOM 628 C VAL A 43 11.967 8.205 0.046 1.00 0.51 C ATOM 629 O VAL A 43 10.886 8.736 0.294 1.00 0.52 O ATOM 630 CB VAL A 43 11.350 5.839 0.662 1.00 0.74 C ATOM 631 CG1 VAL A 43 10.463 6.065 -0.557 1.00 0.90 C ATOM 632 CG2 VAL A 43 12.025 4.481 0.570 1.00 0.99 C ATOM 0 H VAL A 43 11.991 6.830 2.866 1.00 0.52 H new ATOM 0 HA VAL A 43 13.352 6.603 0.401 1.00 0.60 H new ATOM 0 HB VAL A 43 10.714 5.865 1.547 1.00 0.74 H new ATOM 0 HG11 VAL A 43 9.734 5.258 -0.631 1.00 0.90 H new ATOM 0 HG12 VAL A 43 9.942 7.017 -0.456 1.00 0.90 H new ATOM 0 HG13 VAL A 43 11.078 6.081 -1.457 1.00 0.90 H new ATOM 0 HG21 VAL A 43 11.268 3.705 0.462 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.690 4.463 -0.294 1.00 0.99 H new ATOM 0 HG23 VAL A 43 12.603 4.300 1.476 1.00 0.99 H new ATOM 642 N PRO A 44 12.804 8.703 -0.886 1.00 0.56 N ATOM 643 CA PRO A 44 12.463 9.878 -1.690 1.00 0.54 C ATOM 644 C PRO A 44 11.148 9.678 -2.438 1.00 0.54 C ATOM 645 O PRO A 44 10.746 8.542 -2.691 1.00 0.60 O ATOM 646 CB PRO A 44 13.629 9.995 -2.677 1.00 0.64 C ATOM 647 CG PRO A 44 14.760 9.293 -2.011 1.00 0.67 C ATOM 648 CD PRO A 44 14.141 8.176 -1.222 1.00 0.76 C ATOM 0 HA PRO A 44 12.325 10.771 -1.080 1.00 0.54 H new ATOM 0 HB2 PRO A 44 13.385 9.534 -3.634 1.00 0.64 H new ATOM 0 HB3 PRO A 44 13.874 11.038 -2.879 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.468 8.908 -2.745 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.313 9.971 -1.361 1.00 0.67 H new ATOM 0 HD2 PRO A 44 14.077 7.258 -1.806 1.00 0.76 H new ATOM 0 HD3 PRO A 44 14.720 7.946 -0.328 1.00 0.76 H new ATOM 656 N PRO A 45 10.454 10.772 -2.805 1.00 0.56 N ATOM 657 CA PRO A 45 9.180 10.689 -3.522 1.00 0.67 C ATOM 658 C PRO A 45 9.346 10.180 -4.953 1.00 0.77 C ATOM 659 O PRO A 45 8.436 10.307 -5.774 1.00 1.08 O ATOM 660 CB PRO A 45 8.667 12.138 -3.526 1.00 0.72 C ATOM 661 CG PRO A 45 9.501 12.852 -2.517 1.00 0.63 C ATOM 662 CD PRO A 45 10.833 12.167 -2.547 1.00 0.56 C ATOM 0 HA PRO A 45 8.498 9.984 -3.047 1.00 0.67 H new ATOM 0 HB2 PRO A 45 8.771 12.589 -4.513 1.00 0.72 H new ATOM 0 HB3 PRO A 45 7.610 12.182 -3.265 1.00 0.72 H new ATOM 0 HG2 PRO A 45 9.597 13.909 -2.764 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.052 12.796 -1.525 1.00 0.63 H new ATOM 0 HD2 PRO A 45 11.479 12.565 -3.329 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.369 12.276 -1.604 1.00 0.56 H new ATOM 670 N GLU A 46 10.512 9.608 -5.248 1.00 0.65 N ATOM 671 CA GLU A 46 10.796 9.080 -6.577 1.00 0.77 C ATOM 672 C GLU A 46 11.483 7.720 -6.491 1.00 0.71 C ATOM 673 O GLU A 46 11.203 6.821 -7.285 1.00 0.81 O ATOM 674 CB GLU A 46 11.674 10.058 -7.361 1.00 0.92 C ATOM 675 CG GLU A 46 11.014 11.405 -7.608 1.00 1.61 C ATOM 676 CD GLU A 46 11.881 12.336 -8.433 1.00 2.17 C ATOM 677 OE1 GLU A 46 11.769 12.305 -9.676 1.00 3.02 O ATOM 678 OE2 GLU A 46 12.670 13.095 -7.835 1.00 2.25 O ATOM 0 H GLU A 46 11.276 9.499 -4.581 1.00 0.65 H new ATOM 0 HA GLU A 46 9.847 8.954 -7.098 1.00 0.77 H new ATOM 0 HB2 GLU A 46 12.605 10.214 -6.817 1.00 0.92 H new ATOM 0 HB3 GLU A 46 11.936 9.610 -8.320 1.00 0.92 H new ATOM 0 HG2 GLU A 46 10.063 11.252 -8.119 1.00 1.61 H new ATOM 0 HG3 GLU A 46 10.789 11.876 -6.651 1.00 1.61 H new ATOM 685 N GLU A 47 12.382 7.575 -5.522 1.00 0.63 N ATOM 686 CA GLU A 47 13.112 6.324 -5.334 1.00 0.66 C ATOM 687 C GLU A 47 12.230 5.253 -4.699 1.00 0.55 C ATOM 688 O GLU A 47 12.702 4.170 -4.355 1.00 0.59 O ATOM 689 CB GLU A 47 14.353 6.556 -4.471 1.00 0.81 C ATOM 690 CG GLU A 47 15.532 7.122 -5.247 1.00 1.25 C ATOM 691 CD GLU A 47 16.784 7.244 -4.402 1.00 1.42 C ATOM 692 OE1 GLU A 47 17.418 6.204 -4.126 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.132 8.380 -4.016 1.00 1.58 O ATOM 0 H GLU A 47 12.623 8.308 -4.855 1.00 0.63 H new ATOM 0 HA GLU A 47 13.420 5.970 -6.318 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.100 7.239 -3.660 1.00 0.81 H new ATOM 0 HB3 GLU A 47 14.649 5.613 -4.012 1.00 0.81 H new ATOM 0 HG2 GLU A 47 15.738 6.482 -6.105 1.00 1.25 H new ATOM 0 HG3 GLU A 47 15.266 8.104 -5.639 1.00 1.25 H new ATOM 700 N PHE A 48 10.951 5.566 -4.532 1.00 0.48 N ATOM 701 CA PHE A 48 10.003 4.625 -3.947 1.00 0.45 C ATOM 702 C PHE A 48 9.560 3.590 -4.976 1.00 0.41 C ATOM 703 O PHE A 48 9.139 2.490 -4.624 1.00 0.45 O ATOM 704 CB PHE A 48 8.787 5.374 -3.396 1.00 0.54 C ATOM 705 CG PHE A 48 7.865 5.903 -4.460 1.00 1.39 C ATOM 706 CD1 PHE A 48 8.244 6.975 -5.250 1.00 2.39 C ATOM 707 CD2 PHE A 48 6.620 5.329 -4.670 1.00 1.41 C ATOM 708 CE1 PHE A 48 7.401 7.468 -6.228 1.00 3.37 C ATOM 709 CE2 PHE A 48 5.772 5.818 -5.647 1.00 2.36 C ATOM 710 CZ PHE A 48 6.159 6.876 -6.428 1.00 3.35 C ATOM 0 H PHE A 48 10.546 6.465 -4.793 1.00 0.48 H new ATOM 0 HA PHE A 48 10.500 4.104 -3.129 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.226 4.706 -2.742 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.132 6.206 -2.782 1.00 0.54 H new ATOM 0 HD1 PHE A 48 9.211 7.432 -5.100 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.309 4.491 -4.064 1.00 1.41 H new ATOM 0 HE1 PHE A 48 7.705 8.309 -6.834 1.00 3.37 H new ATOM 0 HE2 PHE A 48 4.803 5.365 -5.795 1.00 2.36 H new ATOM 0 HZ PHE A 48 5.500 7.249 -7.198 1.00 3.35 H new ATOM 720 N ARG A 49 9.671 3.955 -6.249 1.00 0.43 N ATOM 721 CA ARG A 49 9.260 3.084 -7.349 1.00 0.47 C ATOM 722 C ARG A 49 10.008 1.745 -7.354 1.00 0.49 C ATOM 723 O ARG A 49 9.376 0.691 -7.413 1.00 0.52 O ATOM 724 CB ARG A 49 9.459 3.796 -8.690 1.00 0.58 C ATOM 725 CG ARG A 49 8.361 3.506 -9.700 1.00 1.06 C ATOM 726 CD ARG A 49 7.057 4.184 -9.312 1.00 1.14 C ATOM 727 NE ARG A 49 5.986 3.896 -10.263 1.00 1.80 N ATOM 728 CZ ARG A 49 4.753 4.386 -10.156 1.00 2.30 C ATOM 729 NH1 ARG A 49 4.435 5.180 -9.143 1.00 2.42 N ATOM 730 NH2 ARG A 49 3.837 4.080 -11.065 1.00 3.07 N ATOM 0 H ARG A 49 10.045 4.856 -6.548 1.00 0.43 H new ATOM 0 HA ARG A 49 8.203 2.863 -7.200 1.00 0.47 H new ATOM 0 HB2 ARG A 49 9.508 4.871 -8.518 1.00 0.58 H new ATOM 0 HB3 ARG A 49 10.418 3.497 -9.112 1.00 0.58 H new ATOM 0 HG2 ARG A 49 8.672 3.850 -10.687 1.00 1.06 H new ATOM 0 HG3 ARG A 49 8.206 2.430 -9.772 1.00 1.06 H new ATOM 0 HD2 ARG A 49 6.758 3.852 -8.318 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.212 5.262 -9.255 1.00 1.14 H new ATOM 0 HE ARG A 49 6.195 3.285 -11.053 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.136 5.418 -8.442 1.00 2.42 H new ATOM 0 HH12 ARG A 49 3.489 5.553 -9.065 1.00 2.42 H new ATOM 0 HH21 ARG A 49 4.077 3.469 -11.846 1.00 3.07 H new ATOM 0 HH22 ARG A 49 2.892 4.455 -10.983 1.00 3.07 H new ATOM 744 N PRO A 50 11.359 1.751 -7.300 1.00 0.52 N ATOM 745 CA PRO A 50 12.149 0.513 -7.321 1.00 0.59 C ATOM 746 C PRO A 50 11.702 -0.492 -6.266 1.00 0.58 C ATOM 747 O PRO A 50 11.697 -1.698 -6.513 1.00 0.68 O ATOM 748 CB PRO A 50 13.586 0.976 -7.046 1.00 0.63 C ATOM 749 CG PRO A 50 13.475 2.390 -6.586 1.00 0.58 C ATOM 750 CD PRO A 50 12.225 2.937 -7.211 1.00 0.54 C ATOM 0 HA PRO A 50 12.036 -0.008 -8.272 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.059 0.354 -6.286 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.199 0.904 -7.944 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.422 2.442 -5.499 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.348 2.968 -6.891 1.00 0.58 H new ATOM 0 HD2 PRO A 50 11.777 3.720 -6.600 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.420 3.370 -8.192 1.00 0.54 H new ATOM 758 N PHE A 51 11.326 0.004 -5.091 1.00 0.49 N ATOM 759 CA PHE A 51 10.877 -0.871 -4.014 1.00 0.51 C ATOM 760 C PHE A 51 9.383 -1.142 -4.127 1.00 0.45 C ATOM 761 O PHE A 51 8.879 -2.142 -3.616 1.00 0.52 O ATOM 762 CB PHE A 51 11.197 -0.252 -2.653 1.00 0.60 C ATOM 763 CG PHE A 51 12.116 -1.098 -1.821 1.00 0.99 C ATOM 764 CD1 PHE A 51 11.665 -2.277 -1.251 1.00 1.29 C ATOM 765 CD2 PHE A 51 13.430 -0.711 -1.606 1.00 1.44 C ATOM 766 CE1 PHE A 51 12.508 -3.056 -0.480 1.00 1.88 C ATOM 767 CE2 PHE A 51 14.277 -1.487 -0.837 1.00 2.02 C ATOM 768 CZ PHE A 51 13.823 -2.668 -0.289 1.00 2.20 C ATOM 0 H PHE A 51 11.323 0.998 -4.862 1.00 0.49 H new ATOM 0 HA PHE A 51 11.409 -1.818 -4.103 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.652 0.727 -2.804 1.00 0.60 H new ATOM 0 HB3 PHE A 51 10.268 -0.091 -2.107 1.00 0.60 H new ATOM 0 HD1 PHE A 51 10.644 -2.591 -1.410 1.00 1.29 H new ATOM 0 HD2 PHE A 51 13.795 0.206 -2.044 1.00 1.44 H new ATOM 0 HE1 PHE A 51 12.141 -3.966 -0.028 1.00 1.88 H new ATOM 0 HE2 PHE A 51 15.294 -1.168 -0.665 1.00 2.02 H new ATOM 0 HZ PHE A 51 14.492 -3.289 0.288 1.00 2.20 H new ATOM 778 N LEU A 52 8.685 -0.240 -4.805 1.00 0.40 N ATOM 779 CA LEU A 52 7.252 -0.364 -5.001 1.00 0.43 C ATOM 780 C LEU A 52 6.945 -1.257 -6.194 1.00 0.44 C ATOM 781 O LEU A 52 5.808 -1.669 -6.390 1.00 0.50 O ATOM 782 CB LEU A 52 6.630 1.014 -5.209 1.00 0.55 C ATOM 783 CG LEU A 52 5.136 1.100 -4.915 1.00 0.56 C ATOM 784 CD1 LEU A 52 4.876 0.897 -3.432 1.00 1.33 C ATOM 785 CD2 LEU A 52 4.587 2.437 -5.377 1.00 1.15 C ATOM 0 H LEU A 52 9.095 0.591 -5.231 1.00 0.40 H new ATOM 0 HA LEU A 52 6.823 -0.820 -4.109 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.151 1.730 -4.574 1.00 0.55 H new ATOM 0 HB3 LEU A 52 6.800 1.320 -6.241 1.00 0.55 H new ATOM 0 HG LEU A 52 4.625 0.309 -5.463 1.00 0.56 H new ATOM 0 HD11 LEU A 52 3.805 0.961 -3.238 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.241 -0.084 -3.130 1.00 1.33 H new ATOM 0 HD13 LEU A 52 5.395 1.668 -2.863 1.00 1.33 H new ATOM 0 HD21 LEU A 52 3.520 2.486 -5.162 1.00 1.15 H new ATOM 0 HD22 LEU A 52 5.101 3.242 -4.852 1.00 1.15 H new ATOM 0 HD23 LEU A 52 4.746 2.544 -6.450 1.00 1.15 H new ATOM 797 N ALA A 53 7.965 -1.549 -6.995 1.00 0.48 N ATOM 798 CA ALA A 53 7.788 -2.413 -8.159 1.00 0.59 C ATOM 799 C ALA A 53 7.179 -3.740 -7.728 1.00 0.60 C ATOM 800 O ALA A 53 6.623 -4.484 -8.537 1.00 0.76 O ATOM 801 CB ALA A 53 9.117 -2.635 -8.865 1.00 0.67 C ATOM 0 H ALA A 53 8.916 -1.204 -6.862 1.00 0.48 H new ATOM 0 HA ALA A 53 7.110 -1.928 -8.861 1.00 0.59 H new ATOM 0 HB1 ALA A 53 8.966 -3.281 -9.730 1.00 0.67 H new ATOM 0 HB2 ALA A 53 9.519 -1.677 -9.194 1.00 0.67 H new ATOM 0 HB3 ALA A 53 9.820 -3.107 -8.178 1.00 0.67 H new ATOM 807 N LYS A 54 7.298 -4.018 -6.435 1.00 0.51 N ATOM 808 CA LYS A 54 6.766 -5.232 -5.838 1.00 0.55 C ATOM 809 C LYS A 54 5.618 -4.887 -4.890 1.00 0.48 C ATOM 810 O LYS A 54 4.847 -5.754 -4.477 1.00 0.57 O ATOM 811 CB LYS A 54 7.882 -5.958 -5.083 1.00 0.62 C ATOM 812 CG LYS A 54 7.419 -7.190 -4.325 1.00 0.76 C ATOM 813 CD LYS A 54 8.536 -7.776 -3.472 1.00 0.94 C ATOM 814 CE LYS A 54 9.044 -6.776 -2.441 1.00 1.21 C ATOM 815 NZ LYS A 54 9.996 -7.400 -1.482 1.00 1.84 N ATOM 0 H LYS A 54 7.769 -3.404 -5.771 1.00 0.51 H new ATOM 0 HA LYS A 54 6.383 -5.886 -6.621 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.655 -6.251 -5.793 1.00 0.62 H new ATOM 0 HB3 LYS A 54 8.342 -5.263 -4.380 1.00 0.62 H new ATOM 0 HG2 LYS A 54 6.573 -6.930 -3.689 1.00 0.76 H new ATOM 0 HG3 LYS A 54 7.067 -7.942 -5.032 1.00 0.76 H new ATOM 0 HD2 LYS A 54 8.175 -8.670 -2.964 1.00 0.94 H new ATOM 0 HD3 LYS A 54 9.360 -8.086 -4.115 1.00 0.94 H new ATOM 0 HE2 LYS A 54 9.534 -5.947 -2.951 1.00 1.21 H new ATOM 0 HE3 LYS A 54 8.199 -6.359 -1.893 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 9.691 -7.198 -0.509 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 10.016 -8.429 -1.632 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 10.948 -7.010 -1.634 1.00 1.84 H new ATOM 829 N MET A 55 5.512 -3.601 -4.565 1.00 0.38 N ATOM 830 CA MET A 55 4.479 -3.107 -3.661 1.00 0.34 C ATOM 831 C MET A 55 3.529 -2.131 -4.360 1.00 0.33 C ATOM 832 O MET A 55 2.847 -1.344 -3.703 1.00 0.35 O ATOM 833 CB MET A 55 5.138 -2.425 -2.459 1.00 0.33 C ATOM 834 CG MET A 55 5.370 -3.356 -1.275 1.00 0.42 C ATOM 835 SD MET A 55 3.836 -4.049 -0.632 1.00 1.95 S ATOM 836 CE MET A 55 3.827 -5.653 -1.432 1.00 2.78 C ATOM 0 H MET A 55 6.136 -2.876 -4.919 1.00 0.38 H new ATOM 0 HA MET A 55 3.886 -3.959 -3.328 1.00 0.34 H new ATOM 0 HB2 MET A 55 6.094 -2.004 -2.771 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.512 -1.592 -2.137 1.00 0.33 H new ATOM 0 HG2 MET A 55 6.032 -4.167 -1.579 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.879 -2.809 -0.481 1.00 0.42 H new ATOM 0 HE1 MET A 55 3.038 -5.680 -2.184 1.00 2.78 H new ATOM 0 HE2 MET A 55 4.791 -5.826 -1.911 1.00 2.78 H new ATOM 0 HE3 MET A 55 3.647 -6.429 -0.689 1.00 2.78 H new ATOM 846 N ARG A 56 3.476 -2.192 -5.688 1.00 0.37 N ATOM 847 CA ARG A 56 2.602 -1.306 -6.454 1.00 0.42 C ATOM 848 C ARG A 56 1.378 -2.059 -6.960 1.00 0.41 C ATOM 849 O ARG A 56 0.346 -1.457 -7.249 1.00 0.43 O ATOM 850 CB ARG A 56 3.352 -0.678 -7.630 1.00 0.54 C ATOM 851 CG ARG A 56 3.781 -1.676 -8.693 1.00 1.09 C ATOM 852 CD ARG A 56 4.463 -0.976 -9.856 1.00 1.35 C ATOM 853 NE ARG A 56 3.547 -0.089 -10.570 1.00 1.81 N ATOM 854 CZ ARG A 56 3.888 0.626 -11.639 1.00 2.37 C ATOM 855 NH1 ARG A 56 5.122 0.558 -12.124 1.00 2.58 N ATOM 856 NH2 ARG A 56 2.992 1.412 -12.226 1.00 3.05 N ATOM 0 H ARG A 56 4.024 -2.841 -6.254 1.00 0.37 H new ATOM 0 HA ARG A 56 2.273 -0.509 -5.788 1.00 0.42 H new ATOM 0 HB2 ARG A 56 2.716 0.078 -8.091 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.235 -0.164 -7.251 1.00 0.54 H new ATOM 0 HG2 ARG A 56 4.460 -2.408 -8.256 1.00 1.09 H new ATOM 0 HG3 ARG A 56 2.911 -2.224 -9.054 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.312 -0.400 -9.486 1.00 1.35 H new ATOM 0 HD3 ARG A 56 4.859 -1.721 -10.546 1.00 1.35 H new ATOM 0 HE ARG A 56 2.589 -0.014 -10.228 1.00 1.81 H new ATOM 0 HH11 ARG A 56 5.813 -0.044 -11.677 1.00 2.58 H new ATOM 0 HH12 ARG A 56 5.379 1.108 -12.944 1.00 2.58 H new ATOM 0 HH21 ARG A 56 2.043 1.467 -11.857 1.00 3.05 H new ATOM 0 HH22 ARG A 56 3.253 1.960 -13.046 1.00 3.05 H new ATOM 870 N GLY A 57 1.502 -3.378 -7.068 1.00 0.43 N ATOM 871 CA GLY A 57 0.391 -4.188 -7.532 1.00 0.45 C ATOM 872 C GLY A 57 -0.841 -4.006 -6.669 1.00 0.39 C ATOM 873 O GLY A 57 -1.945 -4.394 -7.053 1.00 0.48 O ATOM 0 H GLY A 57 2.350 -3.899 -6.843 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.154 -3.923 -8.563 1.00 0.45 H new ATOM 0 HA3 GLY A 57 0.683 -5.238 -7.531 1.00 0.45 H new ATOM 877 N ILE A 58 -0.646 -3.404 -5.500 1.00 0.41 N ATOM 878 CA ILE A 58 -1.735 -3.159 -4.570 1.00 0.39 C ATOM 879 C ILE A 58 -2.260 -1.737 -4.735 1.00 0.40 C ATOM 880 O ILE A 58 -3.464 -1.493 -4.656 1.00 0.47 O ATOM 881 CB ILE A 58 -1.290 -3.361 -3.104 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.556 -4.695 -2.928 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.494 -3.295 -2.177 1.00 0.43 C ATOM 884 CD1 ILE A 58 0.902 -4.646 -3.337 1.00 0.71 C ATOM 0 H ILE A 58 0.264 -3.076 -5.176 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.522 -3.878 -4.797 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.598 -2.559 -2.846 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.621 -5.001 -1.884 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -1.064 -5.459 -3.516 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -2.168 -3.439 -1.147 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.974 -2.321 -2.273 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -3.203 -4.078 -2.446 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.356 -5.625 -3.185 1.00 0.71 H new ATOM 0 HD12 ILE A 58 0.976 -4.372 -4.389 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.425 -3.906 -2.732 1.00 0.71 H new ATOM 896 N LEU A 59 -1.341 -0.802 -4.967 1.00 0.44 N ATOM 897 CA LEU A 59 -1.698 0.600 -5.151 1.00 0.49 C ATOM 898 C LEU A 59 -2.437 0.792 -6.469 1.00 0.52 C ATOM 899 O LEU A 59 -3.568 1.276 -6.491 1.00 0.56 O ATOM 900 CB LEU A 59 -0.434 1.473 -5.111 1.00 0.58 C ATOM 901 CG LEU A 59 -0.650 2.991 -5.223 1.00 0.88 C ATOM 902 CD1 LEU A 59 -0.842 3.412 -6.672 1.00 1.39 C ATOM 903 CD2 LEU A 59 -1.834 3.438 -4.375 1.00 1.71 C ATOM 0 H LEU A 59 -0.341 -0.992 -5.032 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.360 0.904 -4.340 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.092 1.270 -4.178 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.223 1.160 -5.922 1.00 0.58 H new ATOM 0 HG LEU A 59 0.246 3.481 -4.843 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -0.993 4.490 -6.721 1.00 1.39 H new ATOM 0 HD12 LEU A 59 0.042 3.143 -7.249 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.714 2.905 -7.086 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -1.965 4.516 -4.472 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.737 2.931 -4.715 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.648 3.188 -3.330 1.00 1.71 H new ATOM 915 N LYS A 60 -1.785 0.415 -7.564 1.00 0.59 N ATOM 916 CA LYS A 60 -2.373 0.535 -8.893 1.00 0.68 C ATOM 917 C LYS A 60 -3.736 -0.154 -8.945 1.00 0.65 C ATOM 918 O LYS A 60 -4.601 0.217 -9.740 1.00 0.74 O ATOM 919 CB LYS A 60 -1.412 -0.056 -9.939 1.00 0.80 C ATOM 920 CG LYS A 60 -2.089 -0.812 -11.075 1.00 0.92 C ATOM 921 CD LYS A 60 -2.263 -2.285 -10.736 1.00 1.07 C ATOM 922 CE LYS A 60 -2.945 -3.041 -11.864 1.00 1.10 C ATOM 923 NZ LYS A 60 -2.219 -2.886 -13.155 1.00 1.60 N ATOM 0 H LYS A 60 -0.844 0.022 -7.556 1.00 0.59 H new ATOM 0 HA LYS A 60 -2.529 1.590 -9.120 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -0.818 0.753 -10.364 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -0.719 -0.730 -9.435 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.063 -0.367 -11.281 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.495 -0.714 -11.984 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -1.289 -2.730 -10.535 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.852 -2.382 -9.824 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -3.007 -4.098 -11.607 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -3.967 -2.680 -11.977 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -2.566 -3.592 -13.835 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -2.383 -1.931 -13.533 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -1.200 -3.027 -13.000 1.00 1.60 H new ATOM 937 N SER A 61 -3.922 -1.150 -8.085 1.00 0.55 N ATOM 938 CA SER A 61 -5.176 -1.891 -8.029 1.00 0.55 C ATOM 939 C SER A 61 -6.298 -1.025 -7.466 1.00 0.57 C ATOM 940 O SER A 61 -7.281 -0.738 -8.148 1.00 0.71 O ATOM 941 CB SER A 61 -5.004 -3.140 -7.161 1.00 0.51 C ATOM 942 OG SER A 61 -6.225 -3.848 -7.039 1.00 1.20 O ATOM 0 H SER A 61 -3.218 -1.463 -7.416 1.00 0.55 H new ATOM 0 HA SER A 61 -5.444 -2.185 -9.044 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.246 -3.789 -7.599 1.00 0.51 H new ATOM 0 HB3 SER A 61 -4.646 -2.853 -6.172 1.00 0.51 H new ATOM 0 HG SER A 61 -6.787 -3.417 -6.361 1.00 1.20 H new ATOM 948 N ILE A 62 -6.136 -0.611 -6.217 1.00 0.50 N ATOM 949 CA ILE A 62 -7.119 0.222 -5.539 1.00 0.56 C ATOM 950 C ILE A 62 -7.252 1.594 -6.202 1.00 0.64 C ATOM 951 O ILE A 62 -8.287 2.250 -6.097 1.00 0.70 O ATOM 952 CB ILE A 62 -6.745 0.419 -4.055 1.00 0.55 C ATOM 953 CG1 ILE A 62 -6.509 -0.936 -3.383 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.835 1.194 -3.326 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.921 -0.831 -1.991 1.00 0.79 C ATOM 0 H ILE A 62 -5.322 -0.842 -5.647 1.00 0.50 H new ATOM 0 HA ILE A 62 -8.074 -0.298 -5.611 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.823 0.997 -4.004 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -7.455 -1.474 -3.328 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.840 -1.529 -4.007 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -7.553 1.323 -2.281 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.960 2.172 -3.791 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.774 0.643 -3.383 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -5.782 -1.830 -1.578 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.959 -0.321 -2.040 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -6.599 -0.266 -1.351 1.00 0.79 H new ATOM 967 N ALA A 63 -6.195 2.027 -6.875 1.00 0.68 N ATOM 968 CA ALA A 63 -6.188 3.332 -7.527 1.00 0.79 C ATOM 969 C ALA A 63 -7.115 3.392 -8.741 1.00 0.84 C ATOM 970 O ALA A 63 -8.067 4.173 -8.761 1.00 0.90 O ATOM 971 CB ALA A 63 -4.771 3.709 -7.929 1.00 0.88 C ATOM 0 H ALA A 63 -5.331 1.495 -6.985 1.00 0.68 H new ATOM 0 HA ALA A 63 -6.568 4.052 -6.802 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -4.778 4.685 -8.415 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -4.140 3.750 -7.041 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.378 2.963 -8.620 1.00 0.88 H new ATOM 977 N SER A 64 -6.838 2.570 -9.747 1.00 0.88 N ATOM 978 CA SER A 64 -7.636 2.570 -10.972 1.00 1.00 C ATOM 979 C SER A 64 -8.869 1.674 -10.873 1.00 0.96 C ATOM 980 O SER A 64 -9.776 1.776 -11.699 1.00 1.11 O ATOM 981 CB SER A 64 -6.777 2.127 -12.159 1.00 1.13 C ATOM 982 OG SER A 64 -7.539 2.096 -13.354 1.00 1.56 O ATOM 0 H SER A 64 -6.071 1.897 -9.741 1.00 0.88 H new ATOM 0 HA SER A 64 -7.986 3.592 -11.120 1.00 1.00 H new ATOM 0 HB2 SER A 64 -5.935 2.809 -12.278 1.00 1.13 H new ATOM 0 HB3 SER A 64 -6.361 1.139 -11.963 1.00 1.13 H new ATOM 0 HG SER A 64 -8.492 2.044 -13.133 1.00 1.56 H new ATOM 988 N ALA A 65 -8.912 0.802 -9.871 1.00 0.84 N ATOM 989 CA ALA A 65 -10.047 -0.105 -9.719 1.00 0.84 C ATOM 990 C ALA A 65 -10.742 0.050 -8.369 1.00 0.75 C ATOM 991 O ALA A 65 -11.967 -0.031 -8.289 1.00 0.82 O ATOM 992 CB ALA A 65 -9.592 -1.541 -9.915 1.00 0.83 C ATOM 0 H ALA A 65 -8.186 0.703 -9.161 1.00 0.84 H new ATOM 0 HA ALA A 65 -10.777 0.157 -10.485 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -10.444 -2.211 -9.800 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -9.172 -1.656 -10.914 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -8.834 -1.787 -9.172 1.00 0.83 H new ATOM 998 N ASP A 66 -9.954 0.260 -7.312 1.00 0.65 N ATOM 999 CA ASP A 66 -10.492 0.415 -5.955 1.00 0.65 C ATOM 1000 C ASP A 66 -11.025 -0.913 -5.416 1.00 0.66 C ATOM 1001 O ASP A 66 -11.137 -1.096 -4.204 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.595 1.477 -5.920 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.031 1.810 -4.506 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -12.913 1.102 -3.974 1.00 1.53 O ATOM 1005 OD2 ASP A 66 -11.489 2.777 -3.930 1.00 1.08 O ATOM 0 H ASP A 66 -8.938 0.327 -7.368 1.00 0.65 H new ATOM 0 HA ASP A 66 -9.673 0.742 -5.315 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -11.239 2.383 -6.411 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.455 1.123 -6.489 1.00 0.75 H new ATOM 1010 N MET A 67 -11.328 -1.838 -6.327 1.00 0.55 N ATOM 1011 CA MET A 67 -11.858 -3.153 -5.967 1.00 0.55 C ATOM 1012 C MET A 67 -12.892 -3.063 -4.843 1.00 0.65 C ATOM 1013 O MET A 67 -13.502 -2.016 -4.626 1.00 0.81 O ATOM 1014 CB MET A 67 -10.717 -4.087 -5.562 1.00 0.49 C ATOM 1015 CG MET A 67 -9.709 -4.324 -6.675 1.00 0.49 C ATOM 1016 SD MET A 67 -8.795 -5.865 -6.465 1.00 1.00 S ATOM 1017 CE MET A 67 -8.059 -6.051 -8.089 1.00 1.52 C ATOM 0 H MET A 67 -11.214 -1.698 -7.331 1.00 0.55 H new ATOM 0 HA MET A 67 -12.362 -3.557 -6.845 1.00 0.55 H new ATOM 0 HB2 MET A 67 -10.202 -3.666 -4.698 1.00 0.49 H new ATOM 0 HB3 MET A 67 -11.134 -5.044 -5.249 1.00 0.49 H new ATOM 0 HG2 MET A 67 -10.228 -4.341 -7.633 1.00 0.49 H new ATOM 0 HG3 MET A 67 -9.007 -3.491 -6.708 1.00 0.49 H new ATOM 0 HE1 MET A 67 -7.094 -6.548 -7.996 1.00 1.52 H new ATOM 0 HE2 MET A 67 -8.716 -6.649 -8.720 1.00 1.52 H new ATOM 0 HE3 MET A 67 -7.919 -5.068 -8.540 1.00 1.52 H new ATOM 1027 N ASP A 68 -13.093 -4.176 -4.144 1.00 0.64 N ATOM 1028 CA ASP A 68 -14.046 -4.230 -3.041 1.00 0.77 C ATOM 1029 C ASP A 68 -13.556 -5.181 -1.956 1.00 0.67 C ATOM 1030 O ASP A 68 -13.179 -4.753 -0.863 1.00 1.22 O ATOM 1031 CB ASP A 68 -15.418 -4.680 -3.545 1.00 1.02 C ATOM 1032 CG ASP A 68 -16.033 -3.692 -4.517 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.708 -3.763 -5.721 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -16.839 -2.847 -4.075 1.00 1.91 O ATOM 0 H ASP A 68 -12.607 -5.055 -4.323 1.00 0.64 H new ATOM 0 HA ASP A 68 -14.134 -3.230 -2.617 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -15.322 -5.651 -4.031 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -16.088 -4.813 -2.695 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.562 -6.474 -2.268 1.00 0.74 N ATOM 1040 CA PHE A 69 -13.117 -7.497 -1.330 1.00 0.83 C ATOM 1041 C PHE A 69 -13.033 -8.855 -2.017 1.00 0.99 C ATOM 1042 O PHE A 69 -13.642 -9.065 -3.067 1.00 1.85 O ATOM 1043 CB PHE A 69 -14.061 -7.576 -0.127 1.00 1.00 C ATOM 1044 CG PHE A 69 -15.494 -7.831 -0.499 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -16.325 -6.786 -0.869 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -16.012 -9.117 -0.479 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -17.644 -7.017 -1.212 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -17.330 -9.354 -0.820 1.00 2.52 C ATOM 1049 CZ PHE A 69 -18.147 -8.302 -1.188 1.00 3.05 C ATOM 0 H PHE A 69 -13.872 -6.838 -3.169 1.00 0.74 H new ATOM 0 HA PHE A 69 -12.124 -7.221 -0.976 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -13.721 -8.369 0.539 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -14.001 -6.643 0.433 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -15.937 -5.778 -0.890 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -15.378 -9.943 -0.194 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -18.280 -6.193 -1.498 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -17.721 -10.360 -0.799 1.00 2.52 H new ATOM 0 HZ PHE A 69 -19.177 -8.485 -1.456 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.267 -9.769 -1.421 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.089 -11.115 -1.966 1.00 0.89 C ATOM 1061 C ASN A 70 -11.292 -11.084 -3.270 1.00 0.83 C ATOM 1062 O ASN A 70 -10.891 -12.128 -3.786 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.444 -11.792 -2.192 1.00 1.03 C ATOM 1064 CG ASN A 70 -13.302 -13.245 -2.601 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -13.253 -13.567 -3.789 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -13.234 -14.133 -1.616 1.00 2.40 N ATOM 0 H ASN A 70 -11.756 -9.600 -0.554 1.00 0.86 H new ATOM 0 HA ASN A 70 -11.525 -11.695 -1.235 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.035 -11.731 -1.278 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -13.993 -11.252 -2.963 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -13.137 -15.126 -1.830 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -13.278 -13.822 -0.645 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.063 -9.883 -3.796 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.308 -9.719 -5.031 1.00 0.68 C ATOM 1075 C GLN A 71 -8.826 -9.541 -4.722 1.00 0.58 C ATOM 1076 O GLN A 71 -7.976 -10.249 -5.260 1.00 0.72 O ATOM 1077 CB GLN A 71 -10.825 -8.514 -5.818 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.316 -8.571 -6.112 1.00 0.88 C ATOM 1079 CD GLN A 71 -12.802 -7.370 -6.899 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.057 -6.788 -7.687 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -14.057 -6.993 -6.686 1.00 1.90 N ATOM 0 H GLN A 71 -11.391 -9.009 -3.384 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.439 -10.615 -5.637 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -10.609 -7.605 -5.257 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.280 -8.445 -6.760 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -12.538 -9.480 -6.670 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -12.866 -8.632 -5.173 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -14.638 -7.506 -6.023 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -14.440 -6.190 -7.185 1.00 1.90 H new ATOM 1090 N LEU A 72 -8.528 -8.586 -3.847 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.153 -8.311 -3.446 1.00 0.39 C ATOM 1092 C LEU A 72 -6.606 -9.450 -2.593 1.00 0.41 C ATOM 1093 O LEU A 72 -5.405 -9.715 -2.589 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.082 -7.003 -2.655 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.070 -5.722 -3.487 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.070 -4.511 -2.572 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -5.861 -5.692 -4.411 1.00 1.06 C ATOM 0 H LEU A 72 -9.223 -7.988 -3.401 1.00 0.45 H new ATOM 0 HA LEU A 72 -6.548 -8.220 -4.348 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -7.934 -6.965 -1.976 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.183 -7.022 -2.038 1.00 0.40 H new ATOM 0 HG LEU A 72 -7.968 -5.698 -4.104 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -7.061 -3.601 -3.172 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -7.964 -4.526 -1.949 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.184 -4.535 -1.937 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -5.872 -4.771 -4.994 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -4.948 -5.735 -3.817 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -5.896 -6.549 -5.084 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.505 -10.108 -1.868 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.137 -11.222 -0.995 1.00 0.57 C ATOM 1111 C GLU A 73 -6.203 -12.204 -1.698 1.00 0.59 C ATOM 1112 O GLU A 73 -5.076 -12.427 -1.254 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.396 -11.958 -0.531 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.124 -13.041 0.499 1.00 0.75 C ATOM 1115 CD GLU A 73 -9.389 -13.731 0.966 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -10.011 -13.242 1.934 1.00 1.76 O ATOM 1117 OE2 GLU A 73 -9.761 -14.761 0.364 1.00 2.25 O ATOM 0 H GLU A 73 -8.501 -9.888 -1.867 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.610 -10.809 -0.135 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.095 -11.235 -0.110 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -8.884 -12.406 -1.396 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.447 -13.781 0.073 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.616 -12.602 1.357 1.00 0.75 H new ATOM 1124 N ALA A 74 -6.678 -12.783 -2.794 1.00 0.62 N ATOM 1125 CA ALA A 74 -5.890 -13.749 -3.552 1.00 0.70 C ATOM 1126 C ALA A 74 -4.692 -13.090 -4.229 1.00 0.57 C ATOM 1127 O ALA A 74 -3.747 -13.770 -4.631 1.00 0.60 O ATOM 1128 CB ALA A 74 -6.763 -14.443 -4.585 1.00 0.89 C ATOM 0 H ALA A 74 -7.605 -12.601 -3.178 1.00 0.62 H new ATOM 0 HA ALA A 74 -5.507 -14.490 -2.850 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.164 -15.161 -5.144 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -7.578 -14.964 -4.082 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.174 -13.702 -5.271 1.00 0.89 H new ATOM 1134 N PHE A 75 -4.734 -11.768 -4.354 1.00 0.49 N ATOM 1135 CA PHE A 75 -3.651 -11.029 -4.994 1.00 0.46 C ATOM 1136 C PHE A 75 -2.457 -10.867 -4.059 1.00 0.38 C ATOM 1137 O PHE A 75 -1.307 -10.882 -4.501 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.142 -9.655 -5.457 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.081 -8.844 -6.147 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -2.897 -8.942 -7.518 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -2.273 -7.978 -5.428 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -1.926 -8.194 -8.156 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -1.301 -7.228 -6.060 1.00 0.82 C ATOM 1144 CZ PHE A 75 -1.113 -7.351 -7.422 1.00 0.91 C ATOM 0 H PHE A 75 -5.504 -11.187 -4.022 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.327 -11.604 -5.861 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -4.985 -9.788 -6.135 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.510 -9.099 -4.595 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -3.520 -9.611 -8.094 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -2.405 -7.888 -4.360 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -1.803 -8.268 -9.226 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -0.688 -6.546 -5.489 1.00 0.82 H new ATOM 0 HZ PHE A 75 -0.332 -6.790 -7.913 1.00 0.91 H new ATOM 1154 N LEU A 76 -2.731 -10.714 -2.770 1.00 0.33 N ATOM 1155 CA LEU A 76 -1.673 -10.540 -1.784 1.00 0.36 C ATOM 1156 C LEU A 76 -0.868 -11.825 -1.617 1.00 0.40 C ATOM 1157 O LEU A 76 0.350 -11.788 -1.449 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.270 -10.105 -0.444 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.358 -9.247 0.442 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.145 -10.036 0.903 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -0.924 -7.987 -0.289 1.00 0.80 C ATOM 0 H LEU A 76 -3.675 -10.707 -2.384 1.00 0.33 H new ATOM 0 HA LEU A 76 -0.997 -9.762 -2.138 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.186 -9.547 -0.639 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.553 -10.998 0.114 1.00 0.43 H new ATOM 0 HG LEU A 76 -1.930 -8.955 1.323 1.00 0.55 H new ATOM 0 HD11 LEU A 76 0.484 -9.403 1.529 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -0.472 -10.904 1.476 1.00 0.82 H new ATOM 0 HD13 LEU A 76 0.424 -10.368 0.035 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.278 -7.395 0.359 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.379 -8.260 -1.193 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -1.803 -7.402 -0.558 1.00 0.80 H new ATOM 1173 N THR A 77 -1.552 -12.964 -1.667 1.00 0.41 N ATOM 1174 CA THR A 77 -0.889 -14.251 -1.527 1.00 0.49 C ATOM 1175 C THR A 77 0.095 -14.470 -2.669 1.00 0.47 C ATOM 1176 O THR A 77 1.119 -15.128 -2.503 1.00 0.53 O ATOM 1177 CB THR A 77 -1.907 -15.407 -1.505 1.00 0.63 C ATOM 1178 OG1 THR A 77 -2.917 -15.152 -0.520 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.221 -16.729 -1.196 1.00 0.71 C ATOM 0 H THR A 77 -2.561 -13.020 -1.803 1.00 0.41 H new ATOM 0 HA THR A 77 -0.352 -14.240 -0.578 1.00 0.49 H new ATOM 0 HB THR A 77 -2.366 -15.474 -2.492 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.561 -15.890 -0.513 1.00 0.73 H new ATOM 0 HG21 THR A 77 -1.961 -17.529 -1.186 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.471 -16.937 -1.960 1.00 0.71 H new ATOM 0 HG23 THR A 77 -0.738 -16.669 -0.221 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.222 -13.899 -3.828 1.00 0.45 N ATOM 1188 CA ALA A 78 0.627 -14.025 -5.005 1.00 0.52 C ATOM 1189 C ALA A 78 1.949 -13.294 -4.817 1.00 0.53 C ATOM 1190 O ALA A 78 2.881 -13.462 -5.605 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.100 -13.499 -6.234 1.00 0.60 C ATOM 0 H ALA A 78 -1.064 -13.343 -3.976 1.00 0.45 H new ATOM 0 HA ALA A 78 0.850 -15.082 -5.149 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.544 -13.598 -7.108 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.014 -14.073 -6.390 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.352 -12.449 -6.086 1.00 0.60 H new ATOM 1197 N GLN A 79 2.026 -12.480 -3.771 1.00 0.47 N ATOM 1198 CA GLN A 79 3.238 -11.725 -3.479 1.00 0.53 C ATOM 1199 C GLN A 79 4.124 -12.495 -2.510 1.00 0.54 C ATOM 1200 O GLN A 79 5.273 -12.123 -2.269 1.00 1.06 O ATOM 1201 CB GLN A 79 2.889 -10.361 -2.885 1.00 0.56 C ATOM 1202 CG GLN A 79 1.586 -9.783 -3.408 1.00 0.96 C ATOM 1203 CD GLN A 79 1.293 -8.405 -2.852 1.00 1.23 C ATOM 1204 OE1 GLN A 79 0.610 -7.603 -3.486 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.816 -8.121 -1.662 1.00 0.61 N ATOM 0 H GLN A 79 1.264 -12.326 -3.111 1.00 0.47 H new ATOM 0 HA GLN A 79 3.779 -11.576 -4.413 1.00 0.53 H new ATOM 0 HB2 GLN A 79 2.826 -10.452 -1.801 1.00 0.56 H new ATOM 0 HB3 GLN A 79 3.698 -9.663 -3.100 1.00 0.56 H new ATOM 0 HG2 GLN A 79 1.628 -9.730 -4.496 1.00 0.96 H new ATOM 0 HG3 GLN A 79 0.767 -10.455 -3.153 1.00 0.96 H new ATOM 0 HE21 GLN A 79 2.377 -8.818 -1.172 1.00 0.61 H new ATOM 0 HE22 GLN A 79 1.656 -7.206 -1.240 1.00 0.61 H new ATOM 1214 N THR A 80 3.578 -13.573 -1.958 1.00 0.63 N ATOM 1215 CA THR A 80 4.310 -14.404 -1.012 1.00 0.65 C ATOM 1216 C THR A 80 4.678 -15.742 -1.640 1.00 0.64 C ATOM 1217 O THR A 80 5.494 -16.490 -1.101 1.00 0.73 O ATOM 1218 CB THR A 80 3.491 -14.652 0.269 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.268 -15.321 -0.052 1.00 1.31 O ATOM 1220 CG2 THR A 80 3.186 -13.339 0.978 1.00 0.44 C ATOM 0 H THR A 80 2.628 -13.892 -2.151 1.00 0.63 H new ATOM 0 HA THR A 80 5.220 -13.866 -0.748 1.00 0.65 H new ATOM 0 HB THR A 80 4.082 -15.279 0.936 1.00 0.77 H new ATOM 0 HG1 THR A 80 2.104 -15.258 -1.016 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.607 -13.538 1.880 1.00 0.44 H new ATOM 0 HG22 THR A 80 4.120 -12.846 1.248 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.613 -12.692 0.314 1.00 0.44 H new ATOM 1228 N LYS A 81 4.066 -16.035 -2.783 1.00 0.68 N ATOM 1229 CA LYS A 81 4.329 -17.276 -3.497 1.00 0.71 C ATOM 1230 C LYS A 81 5.330 -17.042 -4.622 1.00 0.69 C ATOM 1231 O LYS A 81 5.752 -17.980 -5.298 1.00 0.81 O ATOM 1232 CB LYS A 81 3.028 -17.848 -4.067 1.00 0.76 C ATOM 1233 CG LYS A 81 1.943 -18.047 -3.020 1.00 1.54 C ATOM 1234 CD LYS A 81 0.638 -18.540 -3.633 1.00 1.55 C ATOM 1235 CE LYS A 81 0.064 -17.548 -4.636 1.00 2.12 C ATOM 1236 NZ LYS A 81 0.652 -17.719 -5.995 1.00 3.02 N ATOM 0 H LYS A 81 3.383 -15.427 -3.234 1.00 0.68 H new ATOM 0 HA LYS A 81 4.752 -17.993 -2.794 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.655 -17.179 -4.842 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.240 -18.804 -4.546 1.00 0.76 H new ATOM 0 HG2 LYS A 81 2.286 -18.764 -2.275 1.00 1.54 H new ATOM 0 HG3 LYS A 81 1.766 -17.106 -2.499 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.809 -19.496 -4.127 1.00 1.55 H new ATOM 0 HD3 LYS A 81 -0.090 -18.716 -2.841 1.00 1.55 H new ATOM 0 HE2 LYS A 81 -1.017 -17.674 -4.691 1.00 2.12 H new ATOM 0 HE3 LYS A 81 0.249 -16.532 -4.287 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 1.210 -16.876 -6.240 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 1.268 -18.557 -6.004 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 -0.111 -17.843 -6.690 1.00 3.02 H new ATOM 1250 N LYS A 82 5.704 -15.780 -4.815 1.00 0.66 N ATOM 1251 CA LYS A 82 6.659 -15.415 -5.855 1.00 0.74 C ATOM 1252 C LYS A 82 8.088 -15.533 -5.342 1.00 0.78 C ATOM 1253 O LYS A 82 8.320 -15.953 -4.208 1.00 0.83 O ATOM 1254 CB LYS A 82 6.407 -13.984 -6.337 1.00 0.72 C ATOM 1255 CG LYS A 82 6.720 -12.922 -5.297 1.00 0.67 C ATOM 1256 CD LYS A 82 6.829 -11.541 -5.926 1.00 0.77 C ATOM 1257 CE LYS A 82 5.462 -10.963 -6.245 1.00 0.76 C ATOM 1258 NZ LYS A 82 5.554 -9.776 -7.141 1.00 1.09 N ATOM 0 H LYS A 82 5.360 -14.994 -4.264 1.00 0.66 H new ATOM 0 HA LYS A 82 6.524 -16.104 -6.689 1.00 0.74 H new ATOM 0 HB2 LYS A 82 7.011 -13.798 -7.225 1.00 0.72 H new ATOM 0 HB3 LYS A 82 5.363 -13.890 -6.636 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.940 -12.916 -4.536 1.00 0.67 H new ATOM 0 HG3 LYS A 82 7.655 -13.169 -4.794 1.00 0.67 H new ATOM 0 HD2 LYS A 82 7.358 -10.872 -5.247 1.00 0.77 H new ATOM 0 HD3 LYS A 82 7.421 -11.602 -6.839 1.00 0.77 H new ATOM 0 HE2 LYS A 82 4.846 -11.728 -6.718 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.963 -10.680 -5.318 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 4.599 -9.412 -7.334 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 6.120 -9.036 -6.679 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 6.007 -10.051 -8.036 1.00 1.09 H new ATOM 1272 N GLN A 83 9.043 -15.160 -6.185 1.00 0.87 N ATOM 1273 CA GLN A 83 10.449 -15.206 -5.815 1.00 0.96 C ATOM 1274 C GLN A 83 10.943 -13.818 -5.434 1.00 0.80 C ATOM 1275 O GLN A 83 10.652 -12.836 -6.119 1.00 0.80 O ATOM 1276 CB GLN A 83 11.290 -15.760 -6.963 1.00 1.22 C ATOM 1277 CG GLN A 83 11.087 -15.027 -8.279 1.00 1.37 C ATOM 1278 CD GLN A 83 11.898 -15.628 -9.410 1.00 1.96 C ATOM 1279 OE1 GLN A 83 11.431 -16.519 -10.120 1.00 2.49 O ATOM 1280 NE2 GLN A 83 13.121 -15.142 -9.584 1.00 2.57 N ATOM 0 H GLN A 83 8.867 -14.822 -7.131 1.00 0.87 H new ATOM 0 HA GLN A 83 10.553 -15.867 -4.955 1.00 0.96 H new ATOM 0 HB2 GLN A 83 12.343 -15.709 -6.688 1.00 1.22 H new ATOM 0 HB3 GLN A 83 11.048 -16.814 -7.103 1.00 1.22 H new ATOM 0 HG2 GLN A 83 10.030 -15.048 -8.543 1.00 1.37 H new ATOM 0 HG3 GLN A 83 11.364 -13.980 -8.154 1.00 1.37 H new ATOM 0 HE21 GLN A 83 13.468 -14.403 -8.972 1.00 2.57 H new ATOM 0 HE22 GLN A 83 13.714 -15.507 -10.330 1.00 2.57 H new ATOM 1289 N GLY A 84 11.688 -13.738 -4.337 1.00 0.98 N ATOM 1290 CA GLY A 84 12.196 -12.458 -3.887 1.00 1.14 C ATOM 1291 C GLY A 84 11.080 -11.501 -3.521 1.00 1.22 C ATOM 1292 O GLY A 84 11.294 -10.293 -3.423 1.00 2.05 O ATOM 0 H GLY A 84 11.948 -14.534 -3.754 1.00 0.98 H new ATOM 0 HA2 GLY A 84 12.843 -12.608 -3.023 1.00 1.14 H new ATOM 0 HA3 GLY A 84 12.810 -12.016 -4.671 1.00 1.14 H new ATOM 1296 N GLY A 85 9.882 -12.050 -3.328 1.00 0.69 N ATOM 1297 CA GLY A 85 8.735 -11.239 -2.970 1.00 0.69 C ATOM 1298 C GLY A 85 8.872 -10.617 -1.596 1.00 0.66 C ATOM 1299 O GLY A 85 9.930 -10.095 -1.245 1.00 0.91 O ATOM 0 H GLY A 85 9.688 -13.048 -3.414 1.00 0.69 H new ATOM 0 HA2 GLY A 85 8.606 -10.450 -3.711 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.836 -11.854 -2.999 1.00 0.69 H new ATOM 1303 N ILE A 86 7.801 -10.676 -0.814 1.00 0.49 N ATOM 1304 CA ILE A 86 7.807 -10.108 0.527 1.00 0.48 C ATOM 1305 C ILE A 86 7.714 -11.196 1.593 1.00 0.50 C ATOM 1306 O ILE A 86 7.352 -12.336 1.302 1.00 0.53 O ATOM 1307 CB ILE A 86 6.650 -9.109 0.698 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.307 -9.844 0.708 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.692 -8.081 -0.424 1.00 0.50 C ATOM 1310 CD1 ILE A 86 4.125 -8.947 1.005 1.00 0.45 C ATOM 0 H ILE A 86 6.919 -11.111 -1.085 1.00 0.49 H new ATOM 0 HA ILE A 86 8.753 -9.583 0.656 1.00 0.48 H new ATOM 0 HB ILE A 86 6.760 -8.594 1.652 1.00 0.45 H new ATOM 0 HG12 ILE A 86 5.156 -10.320 -0.261 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.344 -10.640 1.452 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.871 -7.374 -0.301 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.641 -7.545 -0.391 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.594 -8.587 -1.385 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.209 -9.537 0.995 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.252 -8.491 1.987 1.00 0.45 H new ATOM 0 HD13 ILE A 86 4.062 -8.166 0.247 1.00 0.45 H new ATOM 1322 N THR A 87 8.040 -10.832 2.830 1.00 0.52 N ATOM 1323 CA THR A 87 8.003 -11.771 3.944 1.00 0.57 C ATOM 1324 C THR A 87 6.609 -11.849 4.554 1.00 0.51 C ATOM 1325 O THR A 87 5.706 -11.111 4.157 1.00 0.48 O ATOM 1326 CB THR A 87 9.005 -11.375 5.045 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.650 -10.099 5.591 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.422 -11.318 4.497 1.00 1.27 C ATOM 0 H THR A 87 8.334 -9.889 3.086 1.00 0.52 H new ATOM 0 HA THR A 87 8.277 -12.746 3.542 1.00 0.57 H new ATOM 0 HB THR A 87 8.967 -12.132 5.828 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.290 -9.854 6.292 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.109 -11.036 5.295 1.00 1.27 H new ATOM 0 HG22 THR A 87 10.701 -12.297 4.107 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.473 -10.580 3.696 1.00 1.27 H new ATOM 1336 N SER A 88 6.440 -12.747 5.519 1.00 0.56 N ATOM 1337 CA SER A 88 5.155 -12.916 6.188 1.00 0.53 C ATOM 1338 C SER A 88 4.798 -11.668 6.987 1.00 0.48 C ATOM 1339 O SER A 88 3.641 -11.251 7.022 1.00 0.48 O ATOM 1340 CB SER A 88 5.191 -14.137 7.109 1.00 0.62 C ATOM 1341 OG SER A 88 3.949 -14.315 7.767 1.00 1.53 O ATOM 0 H SER A 88 7.176 -13.368 5.855 1.00 0.56 H new ATOM 0 HA SER A 88 4.391 -13.072 5.427 1.00 0.53 H new ATOM 0 HB2 SER A 88 5.429 -15.028 6.528 1.00 0.62 H new ATOM 0 HB3 SER A 88 5.984 -14.016 7.847 1.00 0.62 H new ATOM 0 HG SER A 88 3.997 -15.102 8.349 1.00 1.53 H new ATOM 1347 N ASP A 89 5.802 -11.077 7.629 1.00 0.51 N ATOM 1348 CA ASP A 89 5.597 -9.870 8.421 1.00 0.51 C ATOM 1349 C ASP A 89 5.127 -8.722 7.534 1.00 0.44 C ATOM 1350 O ASP A 89 4.481 -7.784 8.001 1.00 0.45 O ATOM 1351 CB ASP A 89 6.889 -9.482 9.142 1.00 0.59 C ATOM 1352 CG ASP A 89 6.725 -8.242 9.999 1.00 1.48 C ATOM 1353 OD1 ASP A 89 6.897 -7.125 9.466 1.00 2.34 O ATOM 1354 OD2 ASP A 89 6.421 -8.387 11.201 1.00 1.85 O ATOM 0 H ASP A 89 6.764 -11.415 7.616 1.00 0.51 H new ATOM 0 HA ASP A 89 4.826 -10.073 9.165 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.215 -10.312 9.768 1.00 0.59 H new ATOM 0 HB3 ASP A 89 7.675 -9.310 8.406 1.00 0.59 H new ATOM 1359 N GLN A 90 5.458 -8.806 6.249 1.00 0.44 N ATOM 1360 CA GLN A 90 5.069 -7.785 5.283 1.00 0.42 C ATOM 1361 C GLN A 90 3.643 -8.018 4.802 1.00 0.39 C ATOM 1362 O GLN A 90 2.795 -7.130 4.883 1.00 0.52 O ATOM 1363 CB GLN A 90 6.032 -7.789 4.091 1.00 0.49 C ATOM 1364 CG GLN A 90 7.387 -7.178 4.408 1.00 0.59 C ATOM 1365 CD GLN A 90 8.285 -7.089 3.190 1.00 0.75 C ATOM 1366 OE1 GLN A 90 9.049 -8.009 2.898 1.00 1.63 O ATOM 1367 NE2 GLN A 90 8.198 -5.976 2.471 1.00 0.91 N ATOM 0 H GLN A 90 5.998 -9.575 5.851 1.00 0.44 H new ATOM 0 HA GLN A 90 5.116 -6.813 5.773 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.175 -8.815 3.752 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.579 -7.241 3.265 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.244 -6.180 4.823 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.880 -7.775 5.176 1.00 0.59 H new ATOM 0 HE21 GLN A 90 7.551 -5.238 2.749 1.00 0.91 H new ATOM 0 HE22 GLN A 90 8.778 -5.859 1.640 1.00 0.91 H new ATOM 1376 N ALA A 91 3.389 -9.224 4.307 1.00 0.37 N ATOM 1377 CA ALA A 91 2.071 -9.592 3.809 1.00 0.37 C ATOM 1378 C ALA A 91 1.015 -9.487 4.903 1.00 0.34 C ATOM 1379 O ALA A 91 -0.179 -9.405 4.621 1.00 0.40 O ATOM 1380 CB ALA A 91 2.108 -11.005 3.247 1.00 0.45 C ATOM 0 H ALA A 91 4.084 -9.967 4.240 1.00 0.37 H new ATOM 0 HA ALA A 91 1.799 -8.895 3.016 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.119 -11.275 2.876 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.828 -11.053 2.430 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.403 -11.701 4.032 1.00 0.45 H new ATOM 1386 N ALA A 92 1.463 -9.490 6.154 1.00 0.31 N ATOM 1387 CA ALA A 92 0.557 -9.404 7.293 1.00 0.33 C ATOM 1388 C ALA A 92 -0.107 -8.035 7.388 1.00 0.28 C ATOM 1389 O ALA A 92 -1.273 -7.938 7.760 1.00 0.34 O ATOM 1390 CB ALA A 92 1.304 -9.721 8.579 1.00 0.40 C ATOM 0 H ALA A 92 2.450 -9.551 6.405 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.233 -10.140 7.145 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.619 -9.654 9.424 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.713 -10.730 8.523 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.116 -9.007 8.713 1.00 0.40 H new ATOM 1396 N VAL A 93 0.636 -6.983 7.061 1.00 0.26 N ATOM 1397 CA VAL A 93 0.101 -5.626 7.133 1.00 0.30 C ATOM 1398 C VAL A 93 -0.610 -5.215 5.841 1.00 0.28 C ATOM 1399 O VAL A 93 -1.538 -4.405 5.868 1.00 0.35 O ATOM 1400 CB VAL A 93 1.209 -4.598 7.466 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.730 -3.906 6.212 1.00 0.43 C ATOM 1402 CG2 VAL A 93 0.694 -3.585 8.473 1.00 0.55 C ATOM 0 H VAL A 93 1.604 -7.042 6.745 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.633 -5.630 7.939 1.00 0.30 H new ATOM 0 HB VAL A 93 2.048 -5.136 7.907 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.506 -3.192 6.486 1.00 0.43 H new ATOM 0 HG12 VAL A 93 2.145 -4.650 5.532 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.912 -3.381 5.720 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.481 -2.866 8.701 1.00 0.55 H new ATOM 0 HG22 VAL A 93 -0.166 -3.061 8.055 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.397 -4.099 9.387 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.173 -5.771 4.715 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.760 -5.436 3.417 1.00 0.25 C ATOM 1414 C ILE A 94 -2.053 -6.202 3.162 1.00 0.25 C ATOM 1415 O ILE A 94 -2.997 -5.652 2.609 1.00 0.28 O ATOM 1416 CB ILE A 94 0.225 -5.715 2.269 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.637 -5.288 2.663 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.212 -4.984 1.007 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.709 -5.886 1.784 1.00 0.52 C ATOM 0 H ILE A 94 0.583 -6.454 4.673 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.986 -4.370 3.448 1.00 0.25 H new ATOM 0 HB ILE A 94 0.228 -6.787 2.069 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.706 -4.201 2.620 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.821 -5.578 3.697 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.495 -5.191 0.203 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.205 -5.325 0.714 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.239 -3.911 1.199 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.688 -5.542 2.119 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.666 -6.973 1.846 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.548 -5.575 0.752 1.00 0.52 H new ATOM 1431 N SER A 95 -2.090 -7.473 3.554 1.00 0.27 N ATOM 1432 CA SER A 95 -3.284 -8.302 3.367 1.00 0.34 C ATOM 1433 C SER A 95 -4.502 -7.679 4.047 1.00 0.39 C ATOM 1434 O SER A 95 -5.638 -8.082 3.803 1.00 0.47 O ATOM 1435 CB SER A 95 -3.041 -9.712 3.906 1.00 0.40 C ATOM 1436 OG SER A 95 -4.200 -10.517 3.769 1.00 0.49 O ATOM 0 H SER A 95 -1.310 -7.953 4.003 1.00 0.27 H new ATOM 0 HA SER A 95 -3.488 -8.361 2.298 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.210 -10.171 3.371 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.753 -9.659 4.956 1.00 0.40 H new ATOM 0 HG SER A 95 -4.977 -9.945 3.599 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.250 -6.712 4.919 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.313 -6.024 5.643 1.00 0.46 C ATOM 1444 C LYS A 96 -5.858 -4.854 4.829 1.00 0.45 C ATOM 1445 O LYS A 96 -6.719 -4.108 5.294 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.801 -5.536 6.997 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.615 -6.330 7.508 1.00 0.57 C ATOM 1448 CD LYS A 96 -3.515 -6.276 9.020 1.00 0.80 C ATOM 1449 CE LYS A 96 -4.643 -7.049 9.688 1.00 1.32 C ATOM 1450 NZ LYS A 96 -4.639 -8.487 9.298 1.00 2.12 N ATOM 0 H LYS A 96 -3.311 -6.384 5.144 1.00 0.38 H new ATOM 0 HA LYS A 96 -6.126 -6.731 5.808 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -4.519 -4.486 6.915 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.609 -5.593 7.726 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -3.705 -7.367 7.186 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -2.698 -5.938 7.068 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.556 -6.687 9.336 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -3.541 -5.237 9.349 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.548 -6.966 10.771 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -5.599 -6.602 9.417 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -5.412 -8.982 9.787 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -4.772 -8.568 8.270 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -3.730 -8.916 9.564 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.327 -4.701 3.618 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.712 -3.618 2.713 1.00 0.40 C ATOM 1466 C PHE A 97 -7.221 -3.326 2.697 1.00 0.48 C ATOM 1467 O PHE A 97 -7.623 -2.229 2.310 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.198 -3.885 1.284 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.179 -5.335 0.846 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -6.072 -6.240 1.406 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.287 -5.797 -0.110 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -6.073 -7.570 1.021 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.286 -7.125 -0.497 1.00 0.50 C ATOM 1474 CZ PHE A 97 -5.111 -7.993 0.016 1.00 0.53 C ATOM 0 H PHE A 97 -4.617 -5.325 3.235 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.235 -2.721 3.108 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.818 -3.323 0.585 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.186 -3.488 1.203 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.775 -5.901 2.152 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.584 -5.111 -0.558 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.768 -8.273 1.455 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.581 -7.452 -1.247 1.00 0.50 H new ATOM 0 HZ PHE A 97 -5.081 -9.024 -0.304 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.063 -4.281 3.108 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.509 -4.034 3.127 1.00 0.63 C ATOM 1486 C TRP A 98 -10.197 -4.650 4.346 1.00 0.69 C ATOM 1487 O TRP A 98 -11.304 -4.246 4.697 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.187 -4.522 1.836 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.884 -5.943 1.461 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -9.097 -6.356 0.428 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.381 -7.135 2.087 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -9.046 -7.727 0.388 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.828 -8.228 1.394 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -11.226 -7.387 3.172 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -10.095 -9.548 1.747 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -11.493 -8.699 3.519 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.926 -9.765 2.811 1.00 1.00 C ATOM 0 H TRP A 98 -7.779 -5.208 3.424 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.624 -2.952 3.194 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.266 -4.413 1.946 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.883 -3.872 1.015 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.587 -5.699 -0.260 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.513 -8.282 -0.282 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.663 -6.571 3.729 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.661 -10.372 1.200 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -12.150 -8.905 4.351 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -11.149 -10.778 3.111 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.551 -5.615 4.998 1.00 0.75 N ATOM 1509 CA LYS A 99 -10.148 -6.258 6.168 1.00 0.91 C ATOM 1510 C LYS A 99 -10.030 -5.372 7.403 1.00 1.11 C ATOM 1511 O LYS A 99 -10.710 -5.592 8.405 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.495 -7.617 6.432 1.00 0.90 C ATOM 1513 CG LYS A 99 -8.079 -7.526 6.974 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.845 -8.519 8.100 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.666 -8.163 9.329 1.00 1.51 C ATOM 1516 NZ LYS A 99 -8.583 -9.213 10.381 1.00 1.67 N ATOM 0 H LYS A 99 -8.628 -5.965 4.742 1.00 0.75 H new ATOM 0 HA LYS A 99 -11.206 -6.412 5.956 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -10.109 -8.173 7.140 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.482 -8.189 5.504 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.368 -7.714 6.169 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.892 -6.515 7.335 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -8.106 -9.522 7.763 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -6.786 -8.535 8.359 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -8.316 -7.214 9.736 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -9.707 -8.021 9.040 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -9.157 -8.930 11.200 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -8.941 -10.113 10.002 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -7.593 -9.331 10.676 1.00 1.67 H new