USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 566 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 10 GLN : amide:sc= -3.54! C(o=-3.8!,f=-5.2!) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.05 X(o=-0.05,f=-0.16) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -74:sc= 1.21 USER MOD Single : A 25 LYS NZ :NH3+ -115:sc= -0.278 (180deg=-1.37) USER MOD Single : A 28 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.068) USER MOD Single : A 30 HIS : no HE2:sc= -4.48! C(o=-4.5!,f=-5.5!) USER MOD Single : A 35 HIS : no HD1:sc=-0.00293 X(o=-0.0029,f=-0.31) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -166:sc=-0.00719 (180deg=-0.164) USER MOD Single : A 40 MET CE :methyl 150:sc= 0 (180deg=-0.442) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.05 X(o=-1,f=-0.77) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -72:sc= 0.334 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.0184 (180deg=-0.181) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 6 13.166 2.588 2.971 1.00 0.00 N ATOM 75 CA VAL A 6 13.097 3.961 2.484 1.00 0.00 C ATOM 76 C VAL A 6 11.970 4.729 3.165 1.00 0.00 C ATOM 77 O VAL A 6 10.802 4.352 3.070 1.00 0.00 O ATOM 78 CB VAL A 6 12.885 4.005 0.959 1.00 0.00 C ATOM 79 CG1 VAL A 6 14.135 3.536 0.232 1.00 0.00 C ATOM 80 CG2 VAL A 6 11.681 3.163 0.564 1.00 0.00 C ATOM 0 HA VAL A 6 14.051 4.431 2.725 1.00 0.00 H new ATOM 0 HB VAL A 6 12.690 5.037 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.966 3.574 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.972 4.185 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.365 2.512 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.546 3.206 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.844 2.129 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.789 3.550 1.057 1.00 0.00 H new ATOM 90 N ILE A 7 12.328 5.809 3.852 1.00 0.00 N ATOM 91 CA ILE A 7 11.346 6.631 4.548 1.00 0.00 C ATOM 92 C ILE A 7 11.797 8.087 4.615 1.00 0.00 C ATOM 93 O ILE A 7 12.938 8.376 4.976 1.00 0.00 O ATOM 94 CB ILE A 7 11.093 6.117 5.977 1.00 0.00 C ATOM 95 CG1 ILE A 7 12.395 6.117 6.780 1.00 0.00 C ATOM 96 CG2 ILE A 7 10.488 4.722 5.939 1.00 0.00 C ATOM 97 CD1 ILE A 7 12.483 7.241 7.789 1.00 0.00 C ATOM 0 H ILE A 7 13.290 6.135 3.941 1.00 0.00 H new ATOM 0 HA ILE A 7 10.419 6.566 3.978 1.00 0.00 H new ATOM 0 HB ILE A 7 10.385 6.785 6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.491 5.164 7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.237 6.191 6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.315 4.373 6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.541 4.751 5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.173 4.042 5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.432 7.179 8.321 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.419 8.199 7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.662 7.156 8.501 1.00 0.00 H new ATOM 109 N GLN A 8 10.894 8.997 4.267 1.00 0.00 N ATOM 110 CA GLN A 8 11.199 10.423 4.289 1.00 0.00 C ATOM 111 C GLN A 8 10.778 11.049 5.615 1.00 0.00 C ATOM 112 O GLN A 8 9.658 10.844 6.081 1.00 0.00 O ATOM 113 CB GLN A 8 10.498 11.134 3.130 1.00 0.00 C ATOM 114 CG GLN A 8 10.805 10.528 1.770 1.00 0.00 C ATOM 115 CD GLN A 8 9.790 10.920 0.714 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.825 12.030 0.184 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.877 10.006 0.403 1.00 0.00 N ATOM 0 H GLN A 8 9.945 8.773 3.966 1.00 0.00 H new ATOM 0 HA GLN A 8 12.277 10.540 4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.421 11.107 3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.794 12.183 3.126 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.797 10.846 1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.831 9.442 1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.885 9.098 0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.168 10.212 -0.301 1.00 0.00 H new ATOM 126 N MET A 9 11.684 11.812 6.217 1.00 0.00 N ATOM 127 CA MET A 9 11.405 12.469 7.489 1.00 0.00 C ATOM 128 C MET A 9 11.983 13.881 7.510 1.00 0.00 C ATOM 129 O MET A 9 12.780 14.247 6.647 1.00 0.00 O ATOM 130 CB MET A 9 11.983 11.652 8.646 1.00 0.00 C ATOM 131 CG MET A 9 11.081 10.513 9.095 1.00 0.00 C ATOM 132 SD MET A 9 9.689 11.081 10.090 1.00 0.00 S ATOM 133 CE MET A 9 8.596 9.666 9.982 1.00 0.00 C ATOM 0 H MET A 9 12.617 11.991 5.845 1.00 0.00 H new ATOM 0 HA MET A 9 10.323 12.536 7.605 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.948 11.244 8.345 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.167 12.314 9.492 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.705 9.985 8.219 1.00 0.00 H new ATOM 0 HG3 MET A 9 11.666 9.797 9.671 1.00 0.00 H new ATOM 0 HE1 MET A 9 7.687 9.864 10.549 1.00 0.00 H new ATOM 0 HE2 MET A 9 8.340 9.483 8.938 1.00 0.00 H new ATOM 0 HE3 MET A 9 9.095 8.788 10.392 1.00 0.00 H new ATOM 143 N GLN A 10 11.576 14.667 8.501 1.00 0.00 N ATOM 144 CA GLN A 10 12.053 16.039 8.632 1.00 0.00 C ATOM 145 C GLN A 10 13.078 16.153 9.755 1.00 0.00 C ATOM 146 O GLN A 10 12.720 16.257 10.928 1.00 0.00 O ATOM 147 CB GLN A 10 10.881 16.986 8.897 1.00 0.00 C ATOM 148 CG GLN A 10 9.653 16.684 8.053 1.00 0.00 C ATOM 149 CD GLN A 10 9.861 17.003 6.585 1.00 0.00 C ATOM 150 OE1 GLN A 10 9.724 18.151 6.162 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.193 15.985 5.800 1.00 0.00 N ATOM 0 H GLN A 10 10.918 14.378 9.225 1.00 0.00 H new ATOM 0 HA GLN A 10 12.534 16.321 7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.610 16.929 9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.201 18.010 8.705 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.394 15.630 8.159 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.807 17.259 8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.296 15.050 6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.345 16.138 4.803 1.00 0.00 H new ATOM 160 N GLY A 11 14.356 16.133 9.388 1.00 0.00 N ATOM 161 CA GLY A 11 15.414 16.234 10.377 1.00 0.00 C ATOM 162 C GLY A 11 15.940 17.649 10.519 1.00 0.00 C ATOM 163 O GLY A 11 15.472 18.563 9.841 1.00 0.00 O ATOM 0 H GLY A 11 14.678 16.049 8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.040 15.890 11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.233 15.571 10.098 1.00 0.00 H new ATOM 167 N GLU A 12 16.915 17.829 11.405 1.00 0.00 N ATOM 168 CA GLU A 12 17.503 19.144 11.635 1.00 0.00 C ATOM 169 C GLU A 12 19.026 19.058 11.680 1.00 0.00 C ATOM 170 O GLU A 12 19.590 18.137 12.271 1.00 0.00 O ATOM 171 CB GLU A 12 16.976 19.741 12.942 1.00 0.00 C ATOM 172 CG GLU A 12 17.574 21.097 13.275 1.00 0.00 C ATOM 173 CD GLU A 12 16.695 21.909 14.207 1.00 0.00 C ATOM 174 OE1 GLU A 12 15.459 21.886 14.025 1.00 0.00 O ATOM 175 OE2 GLU A 12 17.241 22.568 15.116 1.00 0.00 O ATOM 0 H GLU A 12 17.314 17.082 11.974 1.00 0.00 H new ATOM 0 HA GLU A 12 17.217 19.792 10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.892 19.837 12.877 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.186 19.050 13.758 1.00 0.00 H new ATOM 0 HG2 GLU A 12 18.552 20.956 13.735 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.733 21.656 12.353 1.00 0.00 H new ATOM 182 N VAL A 13 19.686 20.025 11.050 1.00 0.00 N ATOM 183 CA VAL A 13 21.143 20.060 11.018 1.00 0.00 C ATOM 184 C VAL A 13 21.720 20.233 12.419 1.00 0.00 C ATOM 185 O VAL A 13 21.341 21.149 13.148 1.00 0.00 O ATOM 186 CB VAL A 13 21.657 21.200 10.119 1.00 0.00 C ATOM 187 CG1 VAL A 13 23.171 21.318 10.219 1.00 0.00 C ATOM 188 CG2 VAL A 13 21.226 20.978 8.677 1.00 0.00 C ATOM 0 H VAL A 13 19.235 20.794 10.555 1.00 0.00 H new ATOM 0 HA VAL A 13 21.474 19.106 10.608 1.00 0.00 H new ATOM 0 HB VAL A 13 21.219 22.137 10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 13 23.516 22.129 9.577 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.452 21.528 11.251 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.631 20.382 9.901 1.00 0.00 H new ATOM 0 HG21 VAL A 13 21.598 21.793 8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 13 21.633 20.033 8.317 1.00 0.00 H new ATOM 0 HG23 VAL A 13 20.138 20.948 8.623 1.00 0.00 H new ATOM 198 N ILE A 14 22.639 19.346 12.787 1.00 0.00 N ATOM 199 CA ILE A 14 23.269 19.402 14.100 1.00 0.00 C ATOM 200 C ILE A 14 24.780 19.567 13.978 1.00 0.00 C ATOM 201 O ILE A 14 25.421 20.164 14.842 1.00 0.00 O ATOM 202 CB ILE A 14 22.968 18.136 14.923 1.00 0.00 C ATOM 203 CG1 ILE A 14 23.440 18.316 16.368 1.00 0.00 C ATOM 204 CG2 ILE A 14 23.632 16.922 14.291 1.00 0.00 C ATOM 205 CD1 ILE A 14 22.661 19.363 17.132 1.00 0.00 C ATOM 0 H ILE A 14 22.963 18.581 12.195 1.00 0.00 H new ATOM 0 HA ILE A 14 22.851 20.268 14.614 1.00 0.00 H new ATOM 0 HB ILE A 14 21.890 17.973 14.930 1.00 0.00 H new ATOM 0 HG12 ILE A 14 23.359 17.362 16.890 1.00 0.00 H new ATOM 0 HG13 ILE A 14 24.495 18.590 16.366 1.00 0.00 H new ATOM 0 HG21 ILE A 14 23.410 16.035 14.885 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.252 16.785 13.279 1.00 0.00 H new ATOM 0 HG23 ILE A 14 24.711 17.074 14.256 1.00 0.00 H new ATOM 0 HD11 ILE A 14 23.050 19.437 18.148 1.00 0.00 H new ATOM 0 HD12 ILE A 14 22.762 20.327 16.634 1.00 0.00 H new ATOM 0 HD13 ILE A 14 21.609 19.081 17.166 1.00 0.00 H new ATOM 217 N GLU A 15 25.343 19.035 12.897 1.00 0.00 N ATOM 218 CA GLU A 15 26.779 19.125 12.661 1.00 0.00 C ATOM 219 C GLU A 15 27.082 19.193 11.167 1.00 0.00 C ATOM 220 O GLU A 15 26.271 18.781 10.340 1.00 0.00 O ATOM 221 CB GLU A 15 27.497 17.925 13.284 1.00 0.00 C ATOM 222 CG GLU A 15 28.392 18.293 14.456 1.00 0.00 C ATOM 223 CD GLU A 15 27.714 18.086 15.796 1.00 0.00 C ATOM 224 OE1 GLU A 15 27.175 16.983 16.025 1.00 0.00 O ATOM 225 OE2 GLU A 15 27.722 19.028 16.616 1.00 0.00 O ATOM 0 H GLU A 15 24.827 18.538 12.172 1.00 0.00 H new ATOM 0 HA GLU A 15 27.141 20.040 13.130 1.00 0.00 H new ATOM 0 HB2 GLU A 15 26.754 17.201 13.618 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.098 17.434 12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.301 17.693 14.417 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.695 19.336 14.364 1.00 0.00 H new ATOM 232 N ASN A 16 28.256 19.717 10.831 1.00 0.00 N ATOM 233 CA ASN A 16 28.667 19.841 9.437 1.00 0.00 C ATOM 234 C ASN A 16 29.954 19.063 9.178 1.00 0.00 C ATOM 235 O ASN A 16 30.829 18.984 10.041 1.00 0.00 O ATOM 236 CB ASN A 16 28.866 21.313 9.071 1.00 0.00 C ATOM 237 CG ASN A 16 29.688 22.060 10.104 1.00 0.00 C ATOM 238 OD1 ASN A 16 30.907 21.905 10.173 1.00 0.00 O ATOM 239 ND2 ASN A 16 29.022 22.875 10.913 1.00 0.00 N ATOM 0 H ASN A 16 28.940 20.063 11.505 1.00 0.00 H new ATOM 0 HA ASN A 16 27.878 19.422 8.813 1.00 0.00 H new ATOM 0 HB2 ASN A 16 29.359 21.380 8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 16 27.893 21.794 8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 16 29.521 23.404 11.628 1.00 0.00 H new ATOM 0 HD22 ASN A 16 28.011 22.972 10.820 1.00 0.00 H new ATOM 246 N LEU A 17 30.061 18.489 7.985 1.00 0.00 N ATOM 247 CA LEU A 17 31.241 17.717 7.611 1.00 0.00 C ATOM 248 C LEU A 17 31.664 18.028 6.179 1.00 0.00 C ATOM 249 O LEU A 17 30.889 18.548 5.375 1.00 0.00 O ATOM 250 CB LEU A 17 30.963 16.220 7.758 1.00 0.00 C ATOM 251 CG LEU A 17 31.395 15.584 9.081 1.00 0.00 C ATOM 252 CD1 LEU A 17 30.275 15.672 10.105 1.00 0.00 C ATOM 253 CD2 LEU A 17 31.812 14.137 8.865 1.00 0.00 C ATOM 0 H LEU A 17 29.345 18.543 7.260 1.00 0.00 H new ATOM 0 HA LEU A 17 32.055 17.997 8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.893 16.055 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.465 15.696 6.945 1.00 0.00 H new ATOM 0 HG LEU A 17 32.254 16.135 9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 17 30.600 15.215 11.040 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.024 16.718 10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.397 15.146 9.730 1.00 0.00 H new ATOM 0 HD21 LEU A 17 32.116 13.700 9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 17 30.972 13.573 8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 17 32.647 14.100 8.165 1.00 0.00 H new ATOM 265 N PRO A 18 32.923 17.702 5.849 1.00 0.00 N ATOM 266 CA PRO A 18 33.476 17.935 4.512 1.00 0.00 C ATOM 267 C PRO A 18 32.859 17.019 3.461 1.00 0.00 C ATOM 268 O PRO A 18 31.887 16.316 3.731 1.00 0.00 O ATOM 269 CB PRO A 18 34.965 17.624 4.685 1.00 0.00 C ATOM 270 CG PRO A 18 35.023 16.681 5.837 1.00 0.00 C ATOM 271 CD PRO A 18 33.902 17.080 6.756 1.00 0.00 C ATOM 0 HA PRO A 18 33.276 18.947 4.159 1.00 0.00 H new ATOM 0 HB2 PRO A 18 35.383 17.175 3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 18 35.538 18.529 4.885 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.906 15.650 5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 18 35.985 16.744 6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 18 33.480 16.218 7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.240 17.778 7.522 1.00 0.00 H new ATOM 279 N ASN A 19 33.432 17.032 2.261 1.00 0.00 N ATOM 280 CA ASN A 19 32.937 16.201 1.169 1.00 0.00 C ATOM 281 C ASN A 19 31.512 16.593 0.791 1.00 0.00 C ATOM 282 O ASN A 19 30.785 15.812 0.178 1.00 0.00 O ATOM 283 CB ASN A 19 32.985 14.724 1.563 1.00 0.00 C ATOM 284 CG ASN A 19 34.181 14.005 0.968 1.00 0.00 C ATOM 285 OD1 ASN A 19 34.252 13.792 -0.242 1.00 0.00 O ATOM 286 ND2 ASN A 19 35.127 13.628 1.820 1.00 0.00 N ATOM 0 H ASN A 19 34.239 17.608 2.021 1.00 0.00 H new ATOM 0 HA ASN A 19 33.580 16.360 0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 19 33.019 14.642 2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 19 32.069 14.233 1.234 1.00 0.00 H new ATOM 0 HD21 ASN A 19 35.955 13.140 1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 19 35.025 13.826 2.815 1.00 0.00 H new ATOM 293 N ALA A 20 31.120 17.808 1.160 1.00 0.00 N ATOM 294 CA ALA A 20 29.784 18.304 0.857 1.00 0.00 C ATOM 295 C ALA A 20 28.717 17.474 1.562 1.00 0.00 C ATOM 296 O ALA A 20 27.595 17.339 1.073 1.00 0.00 O ATOM 297 CB ALA A 20 29.548 18.302 -0.647 1.00 0.00 C ATOM 0 H ALA A 20 31.709 18.467 1.669 1.00 0.00 H new ATOM 0 HA ALA A 20 29.712 19.328 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 20 28.546 18.675 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.284 18.944 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 20 29.645 17.286 -1.029 1.00 0.00 H new ATOM 303 N THR A 21 29.073 16.918 2.716 1.00 0.00 N ATOM 304 CA THR A 21 28.147 16.099 3.488 1.00 0.00 C ATOM 305 C THR A 21 27.730 16.805 4.774 1.00 0.00 C ATOM 306 O THR A 21 28.548 17.441 5.438 1.00 0.00 O ATOM 307 CB THR A 21 28.766 14.734 3.843 1.00 0.00 C ATOM 308 OG1 THR A 21 29.789 14.901 4.831 1.00 0.00 O ATOM 309 CG2 THR A 21 29.351 14.068 2.607 1.00 0.00 C ATOM 0 H THR A 21 29.997 17.020 3.137 1.00 0.00 H new ATOM 0 HA THR A 21 27.269 15.940 2.862 1.00 0.00 H new ATOM 0 HB THR A 21 27.978 14.095 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.582 15.302 4.417 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.782 13.106 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.564 13.915 1.869 1.00 0.00 H new ATOM 0 HG23 THR A 21 30.127 14.706 2.183 1.00 0.00 H new ATOM 317 N PHE A 22 26.452 16.688 5.119 1.00 0.00 N ATOM 318 CA PHE A 22 25.926 17.316 6.326 1.00 0.00 C ATOM 319 C PHE A 22 25.233 16.287 7.216 1.00 0.00 C ATOM 320 O PHE A 22 24.719 15.278 6.732 1.00 0.00 O ATOM 321 CB PHE A 22 24.946 18.433 5.960 1.00 0.00 C ATOM 322 CG PHE A 22 25.519 19.445 5.009 1.00 0.00 C ATOM 323 CD1 PHE A 22 26.797 19.945 5.197 1.00 0.00 C ATOM 324 CD2 PHE A 22 24.779 19.895 3.928 1.00 0.00 C ATOM 325 CE1 PHE A 22 27.326 20.877 4.324 1.00 0.00 C ATOM 326 CE2 PHE A 22 25.303 20.826 3.051 1.00 0.00 C ATOM 327 CZ PHE A 22 26.579 21.317 3.249 1.00 0.00 C ATOM 0 H PHE A 22 25.762 16.165 4.580 1.00 0.00 H new ATOM 0 HA PHE A 22 26.763 17.743 6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 22 24.054 17.992 5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 22 24.629 18.941 6.871 1.00 0.00 H new ATOM 0 HD1 PHE A 22 27.387 19.603 6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.781 19.514 3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 22 28.323 21.261 4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.716 21.169 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.992 22.043 2.565 1.00 0.00 H new ATOM 337 N ARG A 23 25.224 16.551 8.518 1.00 0.00 N ATOM 338 CA ARG A 23 24.597 15.649 9.476 1.00 0.00 C ATOM 339 C ARG A 23 23.378 16.302 10.120 1.00 0.00 C ATOM 340 O ARG A 23 23.448 17.433 10.602 1.00 0.00 O ATOM 341 CB ARG A 23 25.600 15.240 10.556 1.00 0.00 C ATOM 342 CG ARG A 23 26.424 14.016 10.191 1.00 0.00 C ATOM 343 CD ARG A 23 26.874 13.257 11.429 1.00 0.00 C ATOM 344 NE ARG A 23 28.007 13.903 12.085 1.00 0.00 N ATOM 345 CZ ARG A 23 28.765 13.307 13.000 1.00 0.00 C ATOM 346 NH1 ARG A 23 28.511 12.057 13.363 1.00 0.00 N ATOM 347 NH2 ARG A 23 29.779 13.961 13.552 1.00 0.00 N ATOM 0 H ARG A 23 25.644 17.382 8.934 1.00 0.00 H new ATOM 0 HA ARG A 23 24.270 14.759 8.938 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.273 16.075 10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.062 15.042 11.483 1.00 0.00 H new ATOM 0 HG2 ARG A 23 25.835 13.357 9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 23 27.296 14.322 9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.043 13.183 12.131 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.148 12.239 11.151 1.00 0.00 H new ATOM 0 HE ARG A 23 28.229 14.865 11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.733 11.551 12.940 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.094 11.601 14.065 1.00 0.00 H new ATOM 0 HH21 ARG A 23 29.978 14.922 13.274 1.00 0.00 H new ATOM 0 HH22 ARG A 23 30.360 13.503 14.254 1.00 0.00 H new ATOM 361 N VAL A 24 22.260 15.582 10.124 1.00 0.00 N ATOM 362 CA VAL A 24 21.025 16.091 10.709 1.00 0.00 C ATOM 363 C VAL A 24 20.353 15.035 11.579 1.00 0.00 C ATOM 364 O VAL A 24 20.318 13.855 11.227 1.00 0.00 O ATOM 365 CB VAL A 24 20.036 16.550 9.621 1.00 0.00 C ATOM 366 CG1 VAL A 24 20.692 17.563 8.696 1.00 0.00 C ATOM 367 CG2 VAL A 24 19.518 15.355 8.835 1.00 0.00 C ATOM 0 H VAL A 24 22.184 14.645 9.729 1.00 0.00 H new ATOM 0 HA VAL A 24 21.297 16.947 11.327 1.00 0.00 H new ATOM 0 HB VAL A 24 19.188 17.033 10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 24 19.978 17.876 7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 24 21.010 18.431 9.274 1.00 0.00 H new ATOM 0 HG13 VAL A 24 21.559 17.109 8.216 1.00 0.00 H new ATOM 0 HG21 VAL A 24 18.820 15.697 8.070 1.00 0.00 H new ATOM 0 HG22 VAL A 24 20.354 14.842 8.360 1.00 0.00 H new ATOM 0 HG23 VAL A 24 19.008 14.669 9.511 1.00 0.00 H new ATOM 377 N LYS A 25 19.819 15.465 12.717 1.00 0.00 N ATOM 378 CA LYS A 25 19.146 14.558 13.638 1.00 0.00 C ATOM 379 C LYS A 25 17.668 14.421 13.284 1.00 0.00 C ATOM 380 O LYS A 25 16.963 15.418 13.123 1.00 0.00 O ATOM 381 CB LYS A 25 19.292 15.058 15.077 1.00 0.00 C ATOM 382 CG LYS A 25 18.840 16.495 15.270 1.00 0.00 C ATOM 383 CD LYS A 25 18.864 16.895 16.736 1.00 0.00 C ATOM 384 CE LYS A 25 20.266 16.798 17.317 1.00 0.00 C ATOM 385 NZ LYS A 25 20.529 15.458 17.911 1.00 0.00 N ATOM 0 H LYS A 25 19.840 16.438 13.024 1.00 0.00 H new ATOM 0 HA LYS A 25 19.615 13.578 13.551 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.714 14.412 15.738 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.336 14.970 15.379 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.488 17.161 14.700 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.831 16.616 14.875 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.495 17.915 16.842 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.190 16.252 17.301 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.998 16.998 16.535 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.397 17.565 18.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.668 15.554 18.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.719 14.832 17.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.385 15.050 17.483 1.00 0.00 H new ATOM 399 N LEU A 26 17.206 13.181 13.165 1.00 0.00 N ATOM 400 CA LEU A 26 15.811 12.914 12.831 1.00 0.00 C ATOM 401 C LEU A 26 14.923 13.032 14.066 1.00 0.00 C ATOM 402 O LEU A 26 15.209 13.811 14.975 1.00 0.00 O ATOM 403 CB LEU A 26 15.671 11.518 12.220 1.00 0.00 C ATOM 404 CG LEU A 26 16.757 11.109 11.225 1.00 0.00 C ATOM 405 CD1 LEU A 26 16.376 9.816 10.521 1.00 0.00 C ATOM 406 CD2 LEU A 26 16.998 12.219 10.212 1.00 0.00 C ATOM 0 H LEU A 26 17.776 12.345 13.295 1.00 0.00 H new ATOM 0 HA LEU A 26 15.489 13.658 12.102 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.655 10.789 13.030 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.705 11.458 11.718 1.00 0.00 H new ATOM 0 HG LEU A 26 17.682 10.940 11.776 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.161 9.540 9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.255 9.022 11.258 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.439 9.957 9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.774 11.910 9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.076 12.420 9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.317 13.123 10.731 1.00 0.00 H new ATOM 418 N GLU A 27 13.847 12.253 14.091 1.00 0.00 N ATOM 419 CA GLU A 27 12.918 12.271 15.216 1.00 0.00 C ATOM 420 C GLU A 27 13.361 11.295 16.302 1.00 0.00 C ATOM 421 O GLU A 27 13.043 11.473 17.478 1.00 0.00 O ATOM 422 CB GLU A 27 11.505 11.919 14.745 1.00 0.00 C ATOM 423 CG GLU A 27 11.319 10.445 14.426 1.00 0.00 C ATOM 424 CD GLU A 27 10.945 9.627 15.647 1.00 0.00 C ATOM 425 OE1 GLU A 27 10.309 10.187 16.564 1.00 0.00 O ATOM 426 OE2 GLU A 27 11.288 8.427 15.684 1.00 0.00 O ATOM 0 H GLU A 27 13.596 11.602 13.347 1.00 0.00 H new ATOM 0 HA GLU A 27 12.914 13.277 15.635 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.791 12.208 15.517 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.270 12.507 13.858 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.543 10.336 13.669 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.240 10.051 13.997 1.00 0.00 H new ATOM 433 N ASN A 28 14.097 10.264 15.900 1.00 0.00 N ATOM 434 CA ASN A 28 14.583 9.259 16.838 1.00 0.00 C ATOM 435 C ASN A 28 15.718 9.817 17.692 1.00 0.00 C ATOM 436 O ASN A 28 16.061 9.254 18.731 1.00 0.00 O ATOM 437 CB ASN A 28 15.059 8.016 16.085 1.00 0.00 C ATOM 438 CG ASN A 28 14.898 6.748 16.901 1.00 0.00 C ATOM 439 OD1 ASN A 28 15.846 5.983 17.074 1.00 0.00 O ATOM 440 ND2 ASN A 28 13.691 6.520 17.407 1.00 0.00 N ATOM 0 H ASN A 28 14.370 10.103 14.931 1.00 0.00 H new ATOM 0 HA ASN A 28 13.759 8.983 17.496 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.497 7.920 15.156 1.00 0.00 H new ATOM 0 HB3 ASN A 28 16.107 8.139 15.813 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.522 5.683 17.965 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.934 7.182 17.238 1.00 0.00 H new ATOM 447 N GLY A 29 16.297 10.927 17.246 1.00 0.00 N ATOM 448 CA GLY A 29 17.387 11.542 17.980 1.00 0.00 C ATOM 449 C GLY A 29 18.735 11.296 17.332 1.00 0.00 C ATOM 450 O GLY A 29 19.665 12.086 17.498 1.00 0.00 O ATOM 0 H GLY A 29 16.031 11.412 16.389 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.212 12.616 18.052 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.400 11.153 18.998 1.00 0.00 H new ATOM 454 N HIS A 30 18.843 10.197 16.593 1.00 0.00 N ATOM 455 CA HIS A 30 20.088 9.848 15.918 1.00 0.00 C ATOM 456 C HIS A 30 20.367 10.806 14.763 1.00 0.00 C ATOM 457 O HIS A 30 19.447 11.392 14.193 1.00 0.00 O ATOM 458 CB HIS A 30 20.027 8.411 15.400 1.00 0.00 C ATOM 459 CG HIS A 30 18.938 8.181 14.398 1.00 0.00 C ATOM 460 ND1 HIS A 30 18.837 7.029 13.647 1.00 0.00 N ATOM 461 CD2 HIS A 30 17.898 8.963 14.026 1.00 0.00 C ATOM 462 CE1 HIS A 30 17.783 7.113 12.856 1.00 0.00 C ATOM 463 NE2 HIS A 30 17.195 8.277 13.066 1.00 0.00 N ATOM 0 H HIS A 30 18.083 9.532 16.446 1.00 0.00 H new ATOM 0 HA HIS A 30 20.900 9.931 16.641 1.00 0.00 H new ATOM 0 HB2 HIS A 30 20.985 8.156 14.948 1.00 0.00 H new ATOM 0 HB3 HIS A 30 19.882 7.735 16.243 1.00 0.00 H new ATOM 0 HD1 HIS A 30 19.477 6.236 13.695 1.00 0.00 H new ATOM 0 HD2 HIS A 30 17.664 9.944 14.412 1.00 0.00 H new ATOM 0 HE1 HIS A 30 17.457 6.358 12.156 1.00 0.00 H new ATOM 471 N VAL A 31 21.643 10.961 14.424 1.00 0.00 N ATOM 472 CA VAL A 31 22.043 11.847 13.338 1.00 0.00 C ATOM 473 C VAL A 31 22.327 11.060 12.063 1.00 0.00 C ATOM 474 O VAL A 31 22.981 10.018 12.097 1.00 0.00 O ATOM 475 CB VAL A 31 23.293 12.665 13.712 1.00 0.00 C ATOM 476 CG1 VAL A 31 23.053 13.451 14.992 1.00 0.00 C ATOM 477 CG2 VAL A 31 24.503 11.753 13.856 1.00 0.00 C ATOM 0 H VAL A 31 22.417 10.484 14.886 1.00 0.00 H new ATOM 0 HA VAL A 31 21.211 12.529 13.163 1.00 0.00 H new ATOM 0 HB VAL A 31 23.495 13.375 12.910 1.00 0.00 H new ATOM 0 HG11 VAL A 31 23.947 14.023 15.241 1.00 0.00 H new ATOM 0 HG12 VAL A 31 22.214 14.132 14.849 1.00 0.00 H new ATOM 0 HG13 VAL A 31 22.825 12.762 15.805 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.377 12.348 14.120 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.314 11.018 14.638 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.686 11.239 12.912 1.00 0.00 H new ATOM 487 N VAL A 32 21.831 11.567 10.939 1.00 0.00 N ATOM 488 CA VAL A 32 22.032 10.913 9.651 1.00 0.00 C ATOM 489 C VAL A 32 22.971 11.722 8.765 1.00 0.00 C ATOM 490 O VAL A 32 22.907 12.952 8.733 1.00 0.00 O ATOM 491 CB VAL A 32 20.697 10.706 8.912 1.00 0.00 C ATOM 492 CG1 VAL A 32 19.716 9.938 9.785 1.00 0.00 C ATOM 493 CG2 VAL A 32 20.110 12.044 8.487 1.00 0.00 C ATOM 0 H VAL A 32 21.287 12.429 10.894 1.00 0.00 H new ATOM 0 HA VAL A 32 22.479 9.940 9.856 1.00 0.00 H new ATOM 0 HB VAL A 32 20.887 10.117 8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.779 9.802 9.246 1.00 0.00 H new ATOM 0 HG12 VAL A 32 20.136 8.964 10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 32 19.529 10.498 10.701 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.167 11.879 7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.935 12.661 9.368 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.808 12.552 7.821 1.00 0.00 H new ATOM 503 N LEU A 33 23.843 11.025 8.045 1.00 0.00 N ATOM 504 CA LEU A 33 24.797 11.679 7.155 1.00 0.00 C ATOM 505 C LEU A 33 24.367 11.538 5.698 1.00 0.00 C ATOM 506 O LEU A 33 23.998 10.453 5.251 1.00 0.00 O ATOM 507 CB LEU A 33 26.193 11.085 7.347 1.00 0.00 C ATOM 508 CG LEU A 33 26.322 9.580 7.104 1.00 0.00 C ATOM 509 CD1 LEU A 33 26.637 9.301 5.643 1.00 0.00 C ATOM 510 CD2 LEU A 33 27.392 8.984 8.006 1.00 0.00 C ATOM 0 H LEU A 33 23.910 10.007 8.060 1.00 0.00 H new ATOM 0 HA LEU A 33 24.823 12.739 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 33 26.881 11.601 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 33 26.520 11.298 8.365 1.00 0.00 H new ATOM 0 HG LEU A 33 25.369 9.109 7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 33 26.725 8.226 5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 33 25.836 9.693 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 33 27.576 9.784 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 33 27.470 7.913 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 33 28.350 9.459 7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 33 27.124 9.152 9.049 1.00 0.00 H new ATOM 522 N GLY A 34 24.421 12.643 4.961 1.00 0.00 N ATOM 523 CA GLY A 34 24.037 12.621 3.562 1.00 0.00 C ATOM 524 C GLY A 34 24.599 13.797 2.788 1.00 0.00 C ATOM 525 O GLY A 34 25.357 14.602 3.330 1.00 0.00 O ATOM 0 H GLY A 34 24.724 13.553 5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 34 24.383 11.692 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.950 12.627 3.487 1.00 0.00 H new ATOM 529 N HIS A 35 24.228 13.898 1.515 1.00 0.00 N ATOM 530 CA HIS A 35 24.701 14.984 0.664 1.00 0.00 C ATOM 531 C HIS A 35 23.529 15.726 0.029 1.00 0.00 C ATOM 532 O HIS A 35 22.491 15.132 -0.263 1.00 0.00 O ATOM 533 CB HIS A 35 25.627 14.441 -0.424 1.00 0.00 C ATOM 534 CG HIS A 35 25.006 13.360 -1.254 1.00 0.00 C ATOM 535 ND1 HIS A 35 24.931 12.046 -0.845 1.00 0.00 N ATOM 536 CD2 HIS A 35 24.427 13.405 -2.477 1.00 0.00 C ATOM 537 CE1 HIS A 35 24.335 11.328 -1.780 1.00 0.00 C ATOM 538 NE2 HIS A 35 24.019 12.129 -2.781 1.00 0.00 N ATOM 0 H HIS A 35 23.601 13.241 1.050 1.00 0.00 H new ATOM 0 HA HIS A 35 25.257 15.685 1.286 1.00 0.00 H new ATOM 0 HB2 HIS A 35 25.928 15.261 -1.076 1.00 0.00 H new ATOM 0 HB3 HIS A 35 26.534 14.055 0.042 1.00 0.00 H new ATOM 0 HD2 HIS A 35 24.308 14.281 -3.098 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.140 10.267 -1.734 1.00 0.00 H new ATOM 0 HE2 HIS A 35 23.548 11.846 -3.641 1.00 0.00 H new ATOM 546 N ILE A 36 23.703 17.026 -0.182 1.00 0.00 N ATOM 547 CA ILE A 36 22.659 17.848 -0.783 1.00 0.00 C ATOM 548 C ILE A 36 22.553 17.592 -2.283 1.00 0.00 C ATOM 549 O ILE A 36 23.563 17.527 -2.985 1.00 0.00 O ATOM 550 CB ILE A 36 22.918 19.348 -0.547 1.00 0.00 C ATOM 551 CG1 ILE A 36 21.879 20.190 -1.289 1.00 0.00 C ATOM 552 CG2 ILE A 36 24.325 19.719 -0.993 1.00 0.00 C ATOM 553 CD1 ILE A 36 20.451 19.805 -0.972 1.00 0.00 C ATOM 0 H ILE A 36 24.556 17.533 0.054 1.00 0.00 H new ATOM 0 HA ILE A 36 21.722 17.569 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 36 22.830 19.554 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 36 22.028 21.240 -1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.043 20.092 -2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.493 20.782 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 36 25.052 19.139 -0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.439 19.502 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.769 20.443 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 36 20.285 18.764 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 36 20.269 19.930 0.095 1.00 0.00 H new ATOM 565 N SER A 37 21.324 17.449 -2.768 1.00 0.00 N ATOM 566 CA SER A 37 21.086 17.198 -4.184 1.00 0.00 C ATOM 567 C SER A 37 19.944 18.066 -4.705 1.00 0.00 C ATOM 568 O SER A 37 19.186 18.645 -3.929 1.00 0.00 O ATOM 569 CB SER A 37 20.763 15.720 -4.415 1.00 0.00 C ATOM 570 OG SER A 37 19.957 15.205 -3.369 1.00 0.00 O ATOM 0 H SER A 37 20.478 17.503 -2.201 1.00 0.00 H new ATOM 0 HA SER A 37 21.994 17.454 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.247 15.602 -5.368 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.689 15.148 -4.481 1.00 0.00 H new ATOM 0 HG SER A 37 19.763 14.260 -3.541 1.00 0.00 H new ATOM 576 N GLY A 38 19.830 18.152 -6.027 1.00 0.00 N ATOM 577 CA GLY A 38 18.780 18.951 -6.631 1.00 0.00 C ATOM 578 C GLY A 38 19.297 20.263 -7.187 1.00 0.00 C ATOM 579 O GLY A 38 20.506 20.464 -7.302 1.00 0.00 O ATOM 0 H GLY A 38 20.446 17.682 -6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 38 18.309 18.381 -7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 38 18.009 19.154 -5.888 1.00 0.00 H new ATOM 583 N LYS A 39 18.379 21.159 -7.535 1.00 0.00 N ATOM 584 CA LYS A 39 18.748 22.459 -8.083 1.00 0.00 C ATOM 585 C LYS A 39 19.160 23.420 -6.973 1.00 0.00 C ATOM 586 O LYS A 39 19.898 24.376 -7.210 1.00 0.00 O ATOM 587 CB LYS A 39 17.580 23.050 -8.876 1.00 0.00 C ATOM 588 CG LYS A 39 17.993 24.155 -9.833 1.00 0.00 C ATOM 589 CD LYS A 39 16.807 25.016 -10.236 1.00 0.00 C ATOM 590 CE LYS A 39 15.821 24.240 -11.095 1.00 0.00 C ATOM 591 NZ LYS A 39 16.392 23.903 -12.429 1.00 0.00 N ATOM 0 H LYS A 39 17.374 21.008 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 39 19.598 22.317 -8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.095 22.254 -9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.840 23.442 -8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.754 24.779 -9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.445 23.717 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.302 25.383 -9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.160 25.890 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.535 23.323 -10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.913 24.828 -11.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.630 23.592 -13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.856 24.743 -12.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.090 23.139 -12.325 1.00 0.00 H new ATOM 605 N MET A 40 18.681 23.159 -5.761 1.00 0.00 N ATOM 606 CA MET A 40 19.003 24.000 -4.615 1.00 0.00 C ATOM 607 C MET A 40 20.508 24.220 -4.507 1.00 0.00 C ATOM 608 O MET A 40 20.977 25.358 -4.466 1.00 0.00 O ATOM 609 CB MET A 40 18.475 23.367 -3.326 1.00 0.00 C ATOM 610 CG MET A 40 17.005 23.652 -3.066 1.00 0.00 C ATOM 611 SD MET A 40 15.912 22.524 -3.952 1.00 0.00 S ATOM 612 CE MET A 40 15.401 23.556 -5.325 1.00 0.00 C ATOM 0 H MET A 40 18.069 22.372 -5.548 1.00 0.00 H new ATOM 0 HA MET A 40 18.522 24.967 -4.760 1.00 0.00 H new ATOM 0 HB2 MET A 40 18.625 22.288 -3.373 1.00 0.00 H new ATOM 0 HB3 MET A 40 19.062 23.734 -2.484 1.00 0.00 H new ATOM 0 HG2 MET A 40 16.808 23.578 -1.997 1.00 0.00 H new ATOM 0 HG3 MET A 40 16.780 24.677 -3.361 1.00 0.00 H new ATOM 0 HE1 MET A 40 15.196 22.930 -6.194 1.00 0.00 H new ATOM 0 HE2 MET A 40 14.500 24.105 -5.052 1.00 0.00 H new ATOM 0 HE3 MET A 40 16.196 24.261 -5.566 1.00 0.00 H new ATOM 622 N ARG A 41 21.260 23.125 -4.463 1.00 0.00 N ATOM 623 CA ARG A 41 22.712 23.199 -4.359 1.00 0.00 C ATOM 624 C ARG A 41 23.285 24.146 -5.409 1.00 0.00 C ATOM 625 O ARG A 41 24.353 24.727 -5.219 1.00 0.00 O ATOM 626 CB ARG A 41 23.328 21.808 -4.521 1.00 0.00 C ATOM 627 CG ARG A 41 23.211 21.250 -5.929 1.00 0.00 C ATOM 628 CD ARG A 41 23.117 19.733 -5.922 1.00 0.00 C ATOM 629 NE ARG A 41 24.424 19.103 -6.086 1.00 0.00 N ATOM 630 CZ ARG A 41 24.590 17.845 -6.482 1.00 0.00 C ATOM 631 NH1 ARG A 41 23.536 17.088 -6.752 1.00 0.00 N ATOM 632 NH2 ARG A 41 25.811 17.343 -6.608 1.00 0.00 N ATOM 0 H ARG A 41 20.887 22.176 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 41 22.961 23.586 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 41 24.381 21.852 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 41 22.843 21.122 -3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.329 21.668 -6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.075 21.559 -6.517 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.670 19.402 -4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.454 19.407 -6.724 1.00 0.00 H new ATOM 0 HE ARG A 41 25.255 19.659 -5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 41 22.595 17.471 -6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 41 23.666 16.123 -7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.625 17.922 -6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.937 16.377 -6.912 1.00 0.00 H new ATOM 646 N MET A 42 22.567 24.296 -6.518 1.00 0.00 N ATOM 647 CA MET A 42 23.004 25.172 -7.598 1.00 0.00 C ATOM 648 C MET A 42 22.475 26.589 -7.396 1.00 0.00 C ATOM 649 O MET A 42 23.111 27.563 -7.799 1.00 0.00 O ATOM 650 CB MET A 42 22.534 24.627 -8.948 1.00 0.00 C ATOM 651 CG MET A 42 22.761 23.133 -9.112 1.00 0.00 C ATOM 652 SD MET A 42 24.510 22.696 -9.142 1.00 0.00 S ATOM 653 CE MET A 42 24.624 21.861 -10.723 1.00 0.00 C ATOM 0 H MET A 42 21.681 23.822 -6.692 1.00 0.00 H new ATOM 0 HA MET A 42 24.093 25.205 -7.588 1.00 0.00 H new ATOM 0 HB2 MET A 42 21.472 24.840 -9.067 1.00 0.00 H new ATOM 0 HB3 MET A 42 23.056 25.155 -9.746 1.00 0.00 H new ATOM 0 HG2 MET A 42 22.272 22.603 -8.295 1.00 0.00 H new ATOM 0 HG3 MET A 42 22.291 22.797 -10.036 1.00 0.00 H new ATOM 0 HE1 MET A 42 25.650 21.530 -10.887 1.00 0.00 H new ATOM 0 HE2 MET A 42 23.959 20.997 -10.727 1.00 0.00 H new ATOM 0 HE3 MET A 42 24.333 22.547 -11.519 1.00 0.00 H new ATOM 663 N HIS A 43 21.306 26.696 -6.771 1.00 0.00 N ATOM 664 CA HIS A 43 20.692 27.994 -6.516 1.00 0.00 C ATOM 665 C HIS A 43 21.239 28.611 -5.233 1.00 0.00 C ATOM 666 O HIS A 43 20.800 29.681 -4.811 1.00 0.00 O ATOM 667 CB HIS A 43 19.173 27.852 -6.420 1.00 0.00 C ATOM 668 CG HIS A 43 18.459 28.171 -7.698 1.00 0.00 C ATOM 669 ND1 HIS A 43 18.796 29.240 -8.501 1.00 0.00 N ATOM 670 CD2 HIS A 43 17.422 27.554 -8.311 1.00 0.00 C ATOM 671 CE1 HIS A 43 17.997 29.267 -9.553 1.00 0.00 C ATOM 672 NE2 HIS A 43 17.154 28.254 -9.461 1.00 0.00 N ATOM 0 H HIS A 43 20.766 25.900 -6.432 1.00 0.00 H new ATOM 0 HA HIS A 43 20.936 28.654 -7.348 1.00 0.00 H new ATOM 0 HB2 HIS A 43 18.930 26.832 -6.123 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.804 28.510 -5.633 1.00 0.00 H new ATOM 0 HD2 HIS A 43 16.902 26.675 -7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 43 18.028 29.993 -10.352 1.00 0.00 H new ATOM 0 HE2 HIS A 43 16.423 28.029 -10.135 1.00 0.00 H new ATOM 680 N TYR A 44 22.200 27.930 -4.618 1.00 0.00 N ATOM 681 CA TYR A 44 22.805 28.411 -3.381 1.00 0.00 C ATOM 682 C TYR A 44 21.743 28.645 -2.310 1.00 0.00 C ATOM 683 O TYR A 44 21.300 29.774 -2.098 1.00 0.00 O ATOM 684 CB TYR A 44 23.581 29.703 -3.637 1.00 0.00 C ATOM 685 CG TYR A 44 24.469 29.644 -4.859 1.00 0.00 C ATOM 686 CD1 TYR A 44 25.606 28.846 -4.879 1.00 0.00 C ATOM 687 CD2 TYR A 44 24.171 30.386 -5.996 1.00 0.00 C ATOM 688 CE1 TYR A 44 26.421 28.790 -5.993 1.00 0.00 C ATOM 689 CE2 TYR A 44 24.978 30.335 -7.115 1.00 0.00 C ATOM 690 CZ TYR A 44 26.103 29.536 -7.109 1.00 0.00 C ATOM 691 OH TYR A 44 26.911 29.481 -8.221 1.00 0.00 O ATOM 0 H TYR A 44 22.576 27.044 -4.955 1.00 0.00 H new ATOM 0 HA TYR A 44 23.494 27.647 -3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 44 22.874 30.525 -3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 44 24.193 29.928 -2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 44 25.857 28.259 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 44 23.292 31.014 -6.004 1.00 0.00 H new ATOM 0 HE1 TYR A 44 27.302 28.166 -5.990 1.00 0.00 H new ATOM 0 HE2 TYR A 44 24.730 30.917 -7.990 1.00 0.00 H new ATOM 0 HH TYR A 44 26.546 30.064 -8.919 1.00 0.00 H new ATOM 701 N ILE A 45 21.342 27.571 -1.639 1.00 0.00 N ATOM 702 CA ILE A 45 20.335 27.659 -0.589 1.00 0.00 C ATOM 703 C ILE A 45 20.976 27.936 0.766 1.00 0.00 C ATOM 704 O ILE A 45 22.086 27.481 1.043 1.00 0.00 O ATOM 705 CB ILE A 45 19.504 26.366 -0.497 1.00 0.00 C ATOM 706 CG1 ILE A 45 20.422 25.155 -0.314 1.00 0.00 C ATOM 707 CG2 ILE A 45 18.642 26.200 -1.739 1.00 0.00 C ATOM 708 CD1 ILE A 45 19.797 24.040 0.494 1.00 0.00 C ATOM 0 H ILE A 45 21.699 26.630 -1.804 1.00 0.00 H new ATOM 0 HA ILE A 45 19.676 28.487 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 45 18.848 26.435 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 45 20.701 24.770 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 45 21.341 25.477 0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 45 18.061 25.281 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.966 27.050 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.281 26.149 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 45 20.504 23.215 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 45 19.543 24.409 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 45 18.893 23.691 -0.006 1.00 0.00 H new ATOM 720 N ARG A 46 20.269 28.683 1.607 1.00 0.00 N ATOM 721 CA ARG A 46 20.769 29.020 2.935 1.00 0.00 C ATOM 722 C ARG A 46 20.922 27.767 3.793 1.00 0.00 C ATOM 723 O ARG A 46 19.981 26.986 3.940 1.00 0.00 O ATOM 724 CB ARG A 46 19.826 30.010 3.622 1.00 0.00 C ATOM 725 CG ARG A 46 20.130 31.464 3.300 1.00 0.00 C ATOM 726 CD ARG A 46 21.411 31.928 3.974 1.00 0.00 C ATOM 727 NE ARG A 46 21.967 33.118 3.335 1.00 0.00 N ATOM 728 CZ ARG A 46 21.495 34.344 3.529 1.00 0.00 C ATOM 729 NH1 ARG A 46 20.466 34.542 4.340 1.00 0.00 N ATOM 730 NH2 ARG A 46 22.054 35.377 2.910 1.00 0.00 N ATOM 0 H ARG A 46 19.348 29.067 1.393 1.00 0.00 H new ATOM 0 HA ARG A 46 21.749 29.482 2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.801 29.788 3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 46 19.884 29.866 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 46 20.220 31.588 2.221 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.299 32.091 3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 46 21.211 32.141 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 46 22.147 31.124 3.946 1.00 0.00 H new ATOM 0 HE ARG A 46 22.761 33.001 2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 46 20.034 33.751 4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 46 20.106 35.485 4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 46 22.846 35.229 2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 46 21.691 36.318 3.059 1.00 0.00 H new ATOM 744 N ILE A 47 22.112 27.583 4.354 1.00 0.00 N ATOM 745 CA ILE A 47 22.387 26.426 5.197 1.00 0.00 C ATOM 746 C ILE A 47 23.090 26.839 6.486 1.00 0.00 C ATOM 747 O ILE A 47 24.091 27.555 6.457 1.00 0.00 O ATOM 748 CB ILE A 47 23.255 25.388 4.462 1.00 0.00 C ATOM 749 CG1 ILE A 47 22.562 24.929 3.177 1.00 0.00 C ATOM 750 CG2 ILE A 47 23.542 24.200 5.368 1.00 0.00 C ATOM 751 CD1 ILE A 47 23.438 24.069 2.292 1.00 0.00 C ATOM 0 H ILE A 47 22.901 28.220 4.240 1.00 0.00 H new ATOM 0 HA ILE A 47 21.424 25.976 5.439 1.00 0.00 H new ATOM 0 HB ILE A 47 24.203 25.854 4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.663 24.370 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.240 25.805 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 47 24.156 23.475 4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 47 24.073 24.540 6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 47 22.603 23.732 5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.882 23.780 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.325 24.632 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.739 23.174 2.837 1.00 0.00 H new ATOM 763 N LEU A 48 22.560 26.381 7.615 1.00 0.00 N ATOM 764 CA LEU A 48 23.137 26.701 8.916 1.00 0.00 C ATOM 765 C LEU A 48 22.838 25.602 9.930 1.00 0.00 C ATOM 766 O LEU A 48 21.907 24.812 9.769 1.00 0.00 O ATOM 767 CB LEU A 48 22.595 28.039 9.421 1.00 0.00 C ATOM 768 CG LEU A 48 23.293 29.291 8.889 1.00 0.00 C ATOM 769 CD1 LEU A 48 22.555 30.544 9.334 1.00 0.00 C ATOM 770 CD2 LEU A 48 24.742 29.331 9.353 1.00 0.00 C ATOM 0 H LEU A 48 21.732 25.787 7.656 1.00 0.00 H new ATOM 0 HA LEU A 48 24.218 26.776 8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.538 28.100 9.164 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.659 28.047 10.509 1.00 0.00 H new ATOM 0 HG LEU A 48 23.281 29.255 7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 48 23.067 31.425 8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.534 30.520 8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.535 30.587 10.423 1.00 0.00 H new ATOM 0 HD21 LEU A 48 25.224 30.229 8.965 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.775 29.343 10.442 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.267 28.450 8.984 1.00 0.00 H new ATOM 782 N PRO A 49 23.643 25.550 11.001 1.00 0.00 N ATOM 783 CA PRO A 49 23.481 24.553 12.064 1.00 0.00 C ATOM 784 C PRO A 49 22.226 24.792 12.897 1.00 0.00 C ATOM 785 O PRO A 49 22.128 25.783 13.619 1.00 0.00 O ATOM 786 CB PRO A 49 24.736 24.743 12.921 1.00 0.00 C ATOM 787 CG PRO A 49 25.148 26.154 12.681 1.00 0.00 C ATOM 788 CD PRO A 49 24.772 26.459 11.258 1.00 0.00 C ATOM 0 HA PRO A 49 23.369 23.545 11.664 1.00 0.00 H new ATOM 0 HB2 PRO A 49 24.526 24.566 13.976 1.00 0.00 H new ATOM 0 HB3 PRO A 49 25.522 24.046 12.631 1.00 0.00 H new ATOM 0 HG2 PRO A 49 24.644 26.830 13.371 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.219 26.280 12.837 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.484 27.503 11.133 1.00 0.00 H new ATOM 0 HD3 PRO A 49 25.601 26.273 10.575 1.00 0.00 H new ATOM 796 N GLY A 50 21.268 23.875 12.791 1.00 0.00 N ATOM 797 CA GLY A 50 20.032 24.005 13.540 1.00 0.00 C ATOM 798 C GLY A 50 18.841 24.290 12.647 1.00 0.00 C ATOM 799 O GLY A 50 17.756 24.612 13.133 1.00 0.00 O ATOM 0 H GLY A 50 21.326 23.046 12.200 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.851 23.087 14.099 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.136 24.808 14.270 1.00 0.00 H new ATOM 803 N ASP A 51 19.042 24.173 11.340 1.00 0.00 N ATOM 804 CA ASP A 51 17.975 24.421 10.377 1.00 0.00 C ATOM 805 C ASP A 51 17.200 23.141 10.083 1.00 0.00 C ATOM 806 O ASP A 51 17.769 22.049 10.059 1.00 0.00 O ATOM 807 CB ASP A 51 18.552 24.992 9.080 1.00 0.00 C ATOM 808 CG ASP A 51 17.524 25.771 8.283 1.00 0.00 C ATOM 809 OD1 ASP A 51 16.352 25.818 8.711 1.00 0.00 O ATOM 810 OD2 ASP A 51 17.892 26.333 7.230 1.00 0.00 O ATOM 0 H ASP A 51 19.934 23.908 10.922 1.00 0.00 H new ATOM 0 HA ASP A 51 17.289 25.148 10.811 1.00 0.00 H new ATOM 0 HB2 ASP A 51 19.394 25.643 9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 51 18.940 24.177 8.469 1.00 0.00 H new ATOM 815 N LYS A 52 15.897 23.282 9.860 1.00 0.00 N ATOM 816 CA LYS A 52 15.042 22.138 9.568 1.00 0.00 C ATOM 817 C LYS A 52 15.169 21.724 8.105 1.00 0.00 C ATOM 818 O LYS A 52 14.924 22.521 7.200 1.00 0.00 O ATOM 819 CB LYS A 52 13.584 22.469 9.890 1.00 0.00 C ATOM 820 CG LYS A 52 13.188 22.146 11.320 1.00 0.00 C ATOM 821 CD LYS A 52 11.725 21.747 11.418 1.00 0.00 C ATOM 822 CE LYS A 52 11.474 20.837 12.610 1.00 0.00 C ATOM 823 NZ LYS A 52 10.053 20.883 13.053 1.00 0.00 N ATOM 0 H LYS A 52 15.410 24.178 9.876 1.00 0.00 H new ATOM 0 HA LYS A 52 15.365 21.306 10.193 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.412 23.529 9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.936 21.917 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.813 21.336 11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.373 23.013 11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.108 22.641 11.505 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.423 21.240 10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.740 19.813 12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.122 21.133 13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.923 20.249 13.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.806 21.855 13.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.436 20.576 12.274 1.00 0.00 H new ATOM 837 N VAL A 53 15.553 20.471 7.880 1.00 0.00 N ATOM 838 CA VAL A 53 15.710 19.950 6.528 1.00 0.00 C ATOM 839 C VAL A 53 15.186 18.522 6.424 1.00 0.00 C ATOM 840 O VAL A 53 15.258 17.751 7.382 1.00 0.00 O ATOM 841 CB VAL A 53 17.184 19.978 6.083 1.00 0.00 C ATOM 842 CG1 VAL A 53 17.754 21.382 6.210 1.00 0.00 C ATOM 843 CG2 VAL A 53 18.004 18.985 6.894 1.00 0.00 C ATOM 0 H VAL A 53 15.761 19.798 8.618 1.00 0.00 H new ATOM 0 HA VAL A 53 15.128 20.596 5.871 1.00 0.00 H new ATOM 0 HB VAL A 53 17.234 19.685 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 53 18.796 21.382 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.182 22.065 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.692 21.707 7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 53 19.043 19.018 6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.948 19.245 7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.609 17.980 6.746 1.00 0.00 H new ATOM 853 N THR A 54 14.658 18.175 5.254 1.00 0.00 N ATOM 854 CA THR A 54 14.121 16.839 5.025 1.00 0.00 C ATOM 855 C THR A 54 15.210 15.883 4.551 1.00 0.00 C ATOM 856 O THR A 54 16.119 16.275 3.819 1.00 0.00 O ATOM 857 CB THR A 54 12.985 16.862 3.986 1.00 0.00 C ATOM 858 OG1 THR A 54 11.905 17.676 4.457 1.00 0.00 O ATOM 859 CG2 THR A 54 12.480 15.455 3.705 1.00 0.00 C ATOM 0 H THR A 54 14.591 18.800 4.451 1.00 0.00 H new ATOM 0 HA THR A 54 13.724 16.489 5.978 1.00 0.00 H new ATOM 0 HB THR A 54 13.379 17.282 3.060 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.188 17.686 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.678 15.497 2.968 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.297 14.846 3.318 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.103 15.013 4.627 1.00 0.00 H new ATOM 867 N VAL A 55 15.111 14.626 4.972 1.00 0.00 N ATOM 868 CA VAL A 55 16.087 13.613 4.588 1.00 0.00 C ATOM 869 C VAL A 55 15.407 12.281 4.290 1.00 0.00 C ATOM 870 O VAL A 55 14.334 11.990 4.816 1.00 0.00 O ATOM 871 CB VAL A 55 17.142 13.403 5.690 1.00 0.00 C ATOM 872 CG1 VAL A 55 18.161 14.532 5.675 1.00 0.00 C ATOM 873 CG2 VAL A 55 16.474 13.295 7.053 1.00 0.00 C ATOM 0 H VAL A 55 14.365 14.285 5.579 1.00 0.00 H new ATOM 0 HA VAL A 55 16.582 13.975 3.687 1.00 0.00 H new ATOM 0 HB VAL A 55 17.667 12.468 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.899 14.367 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 55 18.661 14.558 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.654 15.482 5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.234 13.147 7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 55 15.922 14.212 7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.787 12.449 7.055 1.00 0.00 H new ATOM 883 N GLU A 56 16.041 11.476 3.443 1.00 0.00 N ATOM 884 CA GLU A 56 15.497 10.174 3.076 1.00 0.00 C ATOM 885 C GLU A 56 16.548 9.079 3.238 1.00 0.00 C ATOM 886 O GLU A 56 17.617 9.133 2.627 1.00 0.00 O ATOM 887 CB GLU A 56 14.988 10.198 1.633 1.00 0.00 C ATOM 888 CG GLU A 56 13.851 9.225 1.372 1.00 0.00 C ATOM 889 CD GLU A 56 13.215 9.423 0.010 1.00 0.00 C ATOM 890 OE1 GLU A 56 13.325 10.538 -0.541 1.00 0.00 O ATOM 891 OE2 GLU A 56 12.606 8.461 -0.505 1.00 0.00 O ATOM 0 H GLU A 56 16.931 11.702 2.999 1.00 0.00 H new ATOM 0 HA GLU A 56 14.664 9.955 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.654 11.207 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.815 9.966 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.226 8.205 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.091 9.344 2.144 1.00 0.00 H new ATOM 898 N LEU A 57 16.237 8.087 4.064 1.00 0.00 N ATOM 899 CA LEU A 57 17.154 6.979 4.308 1.00 0.00 C ATOM 900 C LEU A 57 17.147 5.999 3.139 1.00 0.00 C ATOM 901 O LEU A 57 16.116 5.409 2.815 1.00 0.00 O ATOM 902 CB LEU A 57 16.775 6.252 5.600 1.00 0.00 C ATOM 903 CG LEU A 57 17.920 5.970 6.573 1.00 0.00 C ATOM 904 CD1 LEU A 57 18.596 7.267 6.991 1.00 0.00 C ATOM 905 CD2 LEU A 57 17.411 5.214 7.791 1.00 0.00 C ATOM 0 H LEU A 57 15.357 8.027 4.576 1.00 0.00 H new ATOM 0 HA LEU A 57 18.159 7.388 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 57 16.022 6.845 6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.308 5.303 5.336 1.00 0.00 H new ATOM 0 HG LEU A 57 18.657 5.347 6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 57 19.408 7.047 7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.996 7.769 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.869 7.915 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 57 18.240 5.022 8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 57 16.654 5.811 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.974 4.267 7.475 1.00 0.00 H new ATOM 917 N THR A 58 18.306 5.828 2.510 1.00 0.00 N ATOM 918 CA THR A 58 18.434 4.920 1.378 1.00 0.00 C ATOM 919 C THR A 58 18.096 3.489 1.780 1.00 0.00 C ATOM 920 O THR A 58 18.229 3.097 2.940 1.00 0.00 O ATOM 921 CB THR A 58 19.857 4.953 0.789 1.00 0.00 C ATOM 922 OG1 THR A 58 20.819 4.697 1.819 1.00 0.00 O ATOM 923 CG2 THR A 58 20.145 6.299 0.143 1.00 0.00 C ATOM 0 H THR A 58 19.169 6.307 2.766 1.00 0.00 H new ATOM 0 HA THR A 58 17.727 5.258 0.620 1.00 0.00 H new ATOM 0 HB THR A 58 19.928 4.179 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 58 20.877 5.474 2.413 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.156 6.298 -0.266 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.429 6.478 -0.659 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.057 7.088 0.890 1.00 0.00 H new ATOM 931 N PRO A 59 17.648 2.688 0.802 1.00 0.00 N ATOM 932 CA PRO A 59 17.283 1.287 1.030 1.00 0.00 C ATOM 933 C PRO A 59 18.496 0.412 1.325 1.00 0.00 C ATOM 934 O PRO A 59 18.376 -0.645 1.944 1.00 0.00 O ATOM 935 CB PRO A 59 16.631 0.871 -0.291 1.00 0.00 C ATOM 936 CG PRO A 59 17.221 1.784 -1.309 1.00 0.00 C ATOM 937 CD PRO A 59 17.465 3.089 -0.603 1.00 0.00 C ATOM 0 HA PRO A 59 16.633 1.171 1.897 1.00 0.00 H new ATOM 0 HB2 PRO A 59 16.842 -0.172 -0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.547 0.975 -0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 59 18.150 1.376 -1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.544 1.917 -2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 59 18.346 3.598 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.624 3.772 -0.720 1.00 0.00 H new ATOM 945 N TYR A 60 19.664 0.859 0.877 1.00 0.00 N ATOM 946 CA TYR A 60 20.900 0.115 1.092 1.00 0.00 C ATOM 947 C TYR A 60 21.151 -0.107 2.580 1.00 0.00 C ATOM 948 O TYR A 60 21.534 -1.199 3.000 1.00 0.00 O ATOM 949 CB TYR A 60 22.082 0.860 0.469 1.00 0.00 C ATOM 950 CG TYR A 60 23.166 -0.056 -0.055 1.00 0.00 C ATOM 951 CD1 TYR A 60 22.929 -0.899 -1.133 1.00 0.00 C ATOM 952 CD2 TYR A 60 24.427 -0.078 0.529 1.00 0.00 C ATOM 953 CE1 TYR A 60 23.916 -1.738 -1.615 1.00 0.00 C ATOM 954 CE2 TYR A 60 25.420 -0.912 0.054 1.00 0.00 C ATOM 955 CZ TYR A 60 25.160 -1.740 -1.018 1.00 0.00 C ATOM 956 OH TYR A 60 26.146 -2.573 -1.494 1.00 0.00 O ATOM 0 H TYR A 60 19.781 1.732 0.363 1.00 0.00 H new ATOM 0 HA TYR A 60 20.797 -0.858 0.611 1.00 0.00 H new ATOM 0 HB2 TYR A 60 21.718 1.483 -0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.512 1.530 1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.957 -0.899 -1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.634 0.568 1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 60 23.715 -2.388 -2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.395 -0.916 0.519 1.00 0.00 H new ATOM 0 HH TYR A 60 26.961 -2.451 -0.964 1.00 0.00 H new ATOM 966 N ASP A 61 20.932 0.937 3.372 1.00 0.00 N ATOM 967 CA ASP A 61 21.132 0.857 4.814 1.00 0.00 C ATOM 968 C ASP A 61 20.529 2.070 5.515 1.00 0.00 C ATOM 969 O ASP A 61 19.975 2.961 4.869 1.00 0.00 O ATOM 970 CB ASP A 61 22.623 0.755 5.139 1.00 0.00 C ATOM 971 CG ASP A 61 23.080 -0.680 5.319 1.00 0.00 C ATOM 972 OD1 ASP A 61 22.411 -1.425 6.065 1.00 0.00 O ATOM 973 OD2 ASP A 61 24.106 -1.057 4.715 1.00 0.00 O ATOM 0 H ASP A 61 20.616 1.848 3.040 1.00 0.00 H new ATOM 0 HA ASP A 61 20.627 -0.038 5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 61 23.199 1.219 4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 61 22.833 1.317 6.049 1.00 0.00 H new ATOM 978 N LEU A 62 20.639 2.098 6.838 1.00 0.00 N ATOM 979 CA LEU A 62 20.103 3.202 7.627 1.00 0.00 C ATOM 980 C LEU A 62 21.215 4.150 8.063 1.00 0.00 C ATOM 981 O LEU A 62 20.956 5.192 8.666 1.00 0.00 O ATOM 982 CB LEU A 62 19.364 2.666 8.854 1.00 0.00 C ATOM 983 CG LEU A 62 18.555 1.386 8.644 1.00 0.00 C ATOM 984 CD1 LEU A 62 17.894 0.952 9.944 1.00 0.00 C ATOM 985 CD2 LEU A 62 17.511 1.587 7.555 1.00 0.00 C ATOM 0 H LEU A 62 21.094 1.369 7.387 1.00 0.00 H new ATOM 0 HA LEU A 62 19.403 3.756 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 62 20.094 2.485 9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.690 3.443 9.215 1.00 0.00 H new ATOM 0 HG LEU A 62 19.237 0.597 8.326 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.323 0.039 9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.660 0.766 10.697 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.225 1.739 10.293 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.945 0.666 7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.833 2.390 7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.006 1.850 6.620 1.00 0.00 H new ATOM 997 N SER A 63 22.454 3.783 7.753 1.00 0.00 N ATOM 998 CA SER A 63 23.607 4.600 8.115 1.00 0.00 C ATOM 999 C SER A 63 24.015 5.506 6.957 1.00 0.00 C ATOM 1000 O SER A 63 25.198 5.782 6.758 1.00 0.00 O ATOM 1001 CB SER A 63 24.783 3.709 8.519 1.00 0.00 C ATOM 1002 OG SER A 63 24.370 2.697 9.421 1.00 0.00 O ATOM 0 H SER A 63 22.686 2.925 7.252 1.00 0.00 H new ATOM 0 HA SER A 63 23.327 5.226 8.962 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.219 3.253 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.562 4.316 8.981 1.00 0.00 H new ATOM 0 HG SER A 63 25.139 2.140 9.662 1.00 0.00 H new ATOM 1008 N ARG A 64 23.027 5.964 6.196 1.00 0.00 N ATOM 1009 CA ARG A 64 23.282 6.838 5.057 1.00 0.00 C ATOM 1010 C ARG A 64 21.974 7.288 4.413 1.00 0.00 C ATOM 1011 O ARG A 64 21.222 6.474 3.877 1.00 0.00 O ATOM 1012 CB ARG A 64 24.152 6.122 4.023 1.00 0.00 C ATOM 1013 CG ARG A 64 23.570 4.801 3.546 1.00 0.00 C ATOM 1014 CD ARG A 64 24.662 3.833 3.119 1.00 0.00 C ATOM 1015 NE ARG A 64 25.483 4.374 2.040 1.00 0.00 N ATOM 1016 CZ ARG A 64 25.058 4.503 0.788 1.00 0.00 C ATOM 1017 NH1 ARG A 64 23.828 4.132 0.460 1.00 0.00 N ATOM 1018 NH2 ARG A 64 25.864 5.005 -0.139 1.00 0.00 N ATOM 0 H ARG A 64 22.042 5.745 6.347 1.00 0.00 H new ATOM 0 HA ARG A 64 23.811 7.720 5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.294 6.778 3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.137 5.941 4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 64 22.978 4.354 4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.894 4.981 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.296 3.601 3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 64 24.209 2.896 2.795 1.00 0.00 H new ATOM 0 HE ARG A 64 26.434 4.669 2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 64 23.205 3.746 1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 64 23.505 4.232 -0.502 1.00 0.00 H new ATOM 0 HH21 ARG A 64 26.811 5.292 0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 64 25.537 5.104 -1.100 1.00 0.00 H new ATOM 1032 N ALA A 65 21.708 8.589 4.471 1.00 0.00 N ATOM 1033 CA ALA A 65 20.493 9.147 3.893 1.00 0.00 C ATOM 1034 C ALA A 65 20.815 10.278 2.922 1.00 0.00 C ATOM 1035 O ALA A 65 21.950 10.750 2.860 1.00 0.00 O ATOM 1036 CB ALA A 65 19.564 9.640 4.992 1.00 0.00 C ATOM 0 H ALA A 65 22.319 9.276 4.913 1.00 0.00 H new ATOM 0 HA ALA A 65 19.990 8.357 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.660 10.054 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.298 8.808 5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 65 20.067 10.411 5.575 1.00 0.00 H new ATOM 1042 N ARG A 66 19.810 10.708 2.166 1.00 0.00 N ATOM 1043 CA ARG A 66 19.988 11.783 1.198 1.00 0.00 C ATOM 1044 C ARG A 66 19.446 13.101 1.742 1.00 0.00 C ATOM 1045 O ARG A 66 18.330 13.158 2.259 1.00 0.00 O ATOM 1046 CB ARG A 66 19.287 11.435 -0.117 1.00 0.00 C ATOM 1047 CG ARG A 66 17.770 11.472 -0.026 1.00 0.00 C ATOM 1048 CD ARG A 66 17.125 10.670 -1.145 1.00 0.00 C ATOM 1049 NE ARG A 66 17.404 9.241 -1.025 1.00 0.00 N ATOM 1050 CZ ARG A 66 16.808 8.311 -1.763 1.00 0.00 C ATOM 1051 NH1 ARG A 66 15.904 8.658 -2.669 1.00 0.00 N ATOM 1052 NH2 ARG A 66 17.116 7.031 -1.595 1.00 0.00 N ATOM 0 H ARG A 66 18.864 10.328 2.205 1.00 0.00 H new ATOM 0 HA ARG A 66 21.056 11.898 1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.613 12.132 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 66 19.600 10.440 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.452 11.074 0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.427 12.505 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.047 10.831 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.490 11.031 -2.107 1.00 0.00 H new ATOM 0 HE ARG A 66 18.094 8.941 -0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.665 9.641 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.448 7.942 -3.234 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.811 6.761 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.658 6.318 -2.162 1.00 0.00 H new ATOM 1066 N ILE A 67 20.244 14.157 1.624 1.00 0.00 N ATOM 1067 CA ILE A 67 19.844 15.474 2.104 1.00 0.00 C ATOM 1068 C ILE A 67 18.837 16.121 1.159 1.00 0.00 C ATOM 1069 O ILE A 67 18.988 16.062 -0.061 1.00 0.00 O ATOM 1070 CB ILE A 67 21.058 16.408 2.260 1.00 0.00 C ATOM 1071 CG1 ILE A 67 22.050 15.827 3.270 1.00 0.00 C ATOM 1072 CG2 ILE A 67 20.606 17.795 2.692 1.00 0.00 C ATOM 1073 CD1 ILE A 67 23.311 16.649 3.420 1.00 0.00 C ATOM 0 H ILE A 67 21.171 14.126 1.200 1.00 0.00 H new ATOM 0 HA ILE A 67 19.381 15.327 3.080 1.00 0.00 H new ATOM 0 HB ILE A 67 21.559 16.493 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 67 21.562 15.745 4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 67 22.319 14.816 2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 67 21.475 18.444 2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 67 19.933 18.209 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 67 20.085 17.727 3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 67 23.968 16.178 4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 67 23.822 16.710 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 67 23.053 17.653 3.758 1.00 0.00 H new ATOM 1085 N VAL A 68 17.809 16.739 1.732 1.00 0.00 N ATOM 1086 CA VAL A 68 16.778 17.401 0.941 1.00 0.00 C ATOM 1087 C VAL A 68 16.584 18.845 1.389 1.00 0.00 C ATOM 1088 O VAL A 68 16.999 19.228 2.483 1.00 0.00 O ATOM 1089 CB VAL A 68 15.432 16.658 1.041 1.00 0.00 C ATOM 1090 CG1 VAL A 68 14.521 17.048 -0.113 1.00 0.00 C ATOM 1091 CG2 VAL A 68 15.655 15.154 1.071 1.00 0.00 C ATOM 0 H VAL A 68 17.668 16.795 2.741 1.00 0.00 H new ATOM 0 HA VAL A 68 17.116 17.388 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 68 14.944 16.948 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.575 16.514 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.335 18.122 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.999 16.788 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.694 14.645 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.164 14.843 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.268 14.894 1.934 1.00 0.00 H new ATOM 1101 N PHE A 69 15.949 19.643 0.537 1.00 0.00 N ATOM 1102 CA PHE A 69 15.700 21.046 0.844 1.00 0.00 C ATOM 1103 C PHE A 69 15.075 21.197 2.228 1.00 0.00 C ATOM 1104 O PHE A 69 14.599 20.225 2.815 1.00 0.00 O ATOM 1105 CB PHE A 69 14.782 21.666 -0.212 1.00 0.00 C ATOM 1106 CG PHE A 69 13.630 20.784 -0.598 1.00 0.00 C ATOM 1107 CD1 PHE A 69 12.684 20.407 0.342 1.00 0.00 C ATOM 1108 CD2 PHE A 69 13.492 20.332 -1.900 1.00 0.00 C ATOM 1109 CE1 PHE A 69 11.623 19.595 -0.010 1.00 0.00 C ATOM 1110 CE2 PHE A 69 12.432 19.519 -2.258 1.00 0.00 C ATOM 1111 CZ PHE A 69 11.496 19.151 -1.312 1.00 0.00 C ATOM 0 H PHE A 69 15.597 19.342 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 69 16.656 21.569 0.837 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.394 22.612 0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 69 15.368 21.895 -1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.777 20.752 1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.221 20.618 -2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.893 19.308 0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.336 19.172 -3.276 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.666 18.517 -1.589 1.00 0.00 H new ATOM 1121 N ARG A 70 15.081 22.422 2.743 1.00 0.00 N ATOM 1122 CA ARG A 70 14.517 22.701 4.058 1.00 0.00 C ATOM 1123 C ARG A 70 13.110 22.124 4.180 1.00 0.00 C ATOM 1124 O ARG A 70 12.369 22.056 3.199 1.00 0.00 O ATOM 1125 CB ARG A 70 14.485 24.209 4.314 1.00 0.00 C ATOM 1126 CG ARG A 70 15.861 24.855 4.319 1.00 0.00 C ATOM 1127 CD ARG A 70 15.773 26.355 4.084 1.00 0.00 C ATOM 1128 NE ARG A 70 15.114 27.044 5.190 1.00 0.00 N ATOM 1129 CZ ARG A 70 14.583 28.257 5.088 1.00 0.00 C ATOM 1130 NH1 ARG A 70 14.631 28.911 3.936 1.00 0.00 N ATOM 1131 NH2 ARG A 70 14.000 28.818 6.140 1.00 0.00 N ATOM 0 H ARG A 70 15.470 23.237 2.269 1.00 0.00 H new ATOM 0 HA ARG A 70 15.152 22.226 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.872 24.686 3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.002 24.396 5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.351 24.663 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 70 16.481 24.400 3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 70 16.776 26.760 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.226 26.546 3.161 1.00 0.00 H new ATOM 0 HE ARG A 70 15.058 26.568 6.090 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.077 28.483 3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.222 29.842 3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.960 28.317 7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.592 29.750 6.061 1.00 0.00 H new ATOM 1145 N ALA A 71 12.749 21.709 5.390 1.00 0.00 N ATOM 1146 CA ALA A 71 11.431 21.139 5.640 1.00 0.00 C ATOM 1147 C ALA A 71 10.359 22.224 5.662 1.00 0.00 C ATOM 1148 O ALA A 71 10.626 23.368 6.028 1.00 0.00 O ATOM 1149 CB ALA A 71 11.430 20.367 6.951 1.00 0.00 C ATOM 0 H ALA A 71 13.351 21.757 6.212 1.00 0.00 H new ATOM 0 HA ALA A 71 11.199 20.452 4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.439 19.947 7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.162 19.561 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.688 21.039 7.769 1.00 0.00 H new ATOM 1155 N LYS A 72 9.144 21.857 5.267 1.00 0.00 N ATOM 1156 CA LYS A 72 8.031 22.798 5.241 1.00 0.00 C ATOM 1157 C LYS A 72 7.032 22.489 6.351 1.00 0.00 C ATOM 1158 O LYS A 72 6.844 21.331 6.726 1.00 0.00 O ATOM 1159 CB LYS A 72 7.329 22.753 3.882 1.00 0.00 C ATOM 1160 CG LYS A 72 6.325 23.874 3.678 1.00 0.00 C ATOM 1161 CD LYS A 72 5.919 24.001 2.220 1.00 0.00 C ATOM 1162 CE LYS A 72 7.011 24.661 1.392 1.00 0.00 C ATOM 1163 NZ LYS A 72 7.149 26.109 1.709 1.00 0.00 N ATOM 0 H LYS A 72 8.906 20.914 4.960 1.00 0.00 H new ATOM 0 HA LYS A 72 8.431 23.799 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.080 22.801 3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.818 21.796 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.441 23.687 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.755 24.815 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.701 23.013 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.002 24.585 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.960 24.157 1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.786 24.541 0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.694 26.578 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.205 26.542 1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.644 26.220 2.617 1.00 0.00 H new