USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 632 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 58 LYS NZ :NH3+ 163:sc= 1.04 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.492 K(o=1.5,f=-5.1!) USER MOD Set 2.1: A 11 GLN : amide:sc= 0.735 K(o=1.6,f=0.17) USER MOD Set 2.2: A 14 GLN : amide:sc= 0.912 K(o=1.6,f=0.17) USER MOD Single : A 9 MET CE :methyl -171:sc= 0 (180deg=-0.0585) USER MOD Single : A 10 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=-0.32) USER MOD Single : A 13 SER OG : rot 91:sc= 1.24 USER MOD Single : A 15 ASN : amide:sc= 0.914 K(o=0.91,f=0) USER MOD Single : A 21 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 24 MET CE :methyl -178:sc= -0.195 (180deg=-0.198) USER MOD Single : A 27 ASN : amide:sc= -0.397 K(o=-0.4,f=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc=-0.00606 (180deg=-0.103) USER MOD Single : A 30 ASN : amide:sc=-0.00811 X(o=-0.0081,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -94:sc= 1.25 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -118:sc= -0.0541 (180deg=-0.386) USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.12) USER MOD Single : A 43 HIS : no HE2:sc= 0.137 K(o=0.14,f=-0.91) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 0.991 (180deg=0.367) USER MOD Single : A 55 SER OG : rot -42:sc= 0.931 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 90:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 67:sc= 1.26 USER MOD Single : A 65 MET CE :methyl -177:sc= -0.0665 (180deg=-0.0752) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 100:sc= 1.29 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 76:sc= 0.0848 USER MOD Single : A 75 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0271) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 75:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 7 15.240 4.296 12.881 1.00 0.00 N ATOM 94 CA ILE A 7 14.693 3.290 11.978 1.00 0.00 C ATOM 95 C ILE A 7 15.301 3.445 10.561 1.00 0.00 C ATOM 96 O ILE A 7 15.118 4.490 9.918 1.00 0.00 O ATOM 97 CB ILE A 7 13.144 3.360 12.093 1.00 0.00 C ATOM 98 CG1 ILE A 7 12.482 1.978 11.997 1.00 0.00 C ATOM 99 CG2 ILE A 7 12.457 4.396 11.190 1.00 0.00 C ATOM 100 CD1 ILE A 7 12.733 1.230 10.690 1.00 0.00 C ATOM 0 HA ILE A 7 14.972 2.271 12.248 1.00 0.00 H new ATOM 0 HB ILE A 7 12.980 3.737 13.102 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.838 1.363 12.824 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.407 2.097 12.129 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.379 4.360 11.350 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.827 5.392 11.432 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.676 4.171 10.146 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.225 0.266 10.719 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.350 1.817 9.855 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.804 1.072 10.561 1.00 0.00 H new ATOM 112 N PRO A 8 16.085 2.460 10.067 1.00 0.00 N ATOM 113 CA PRO A 8 16.836 2.614 8.823 1.00 0.00 C ATOM 114 C PRO A 8 15.938 2.866 7.606 1.00 0.00 C ATOM 115 O PRO A 8 14.897 2.220 7.449 1.00 0.00 O ATOM 116 CB PRO A 8 17.671 1.345 8.668 1.00 0.00 C ATOM 117 CG PRO A 8 17.847 0.859 10.102 1.00 0.00 C ATOM 118 CD PRO A 8 16.540 1.260 10.764 1.00 0.00 C ATOM 0 HA PRO A 8 17.470 3.499 8.873 1.00 0.00 H new ATOM 0 HB2 PRO A 8 17.163 0.603 8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.630 1.551 8.193 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.007 -0.218 10.146 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.704 1.329 10.585 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.803 0.461 10.687 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.686 1.458 11.826 1.00 0.00 H new ATOM 126 N MET A 9 16.360 3.760 6.709 1.00 0.00 N ATOM 127 CA MET A 9 15.624 4.070 5.476 1.00 0.00 C ATOM 128 C MET A 9 15.485 2.843 4.560 1.00 0.00 C ATOM 129 O MET A 9 14.451 2.679 3.908 1.00 0.00 O ATOM 130 CB MET A 9 16.300 5.251 4.764 1.00 0.00 C ATOM 131 CG MET A 9 15.491 5.721 3.547 1.00 0.00 C ATOM 132 SD MET A 9 16.045 7.291 2.828 1.00 0.00 S ATOM 133 CE MET A 9 15.408 8.447 4.073 1.00 0.00 C ATOM 0 H MET A 9 17.224 4.292 6.815 1.00 0.00 H new ATOM 0 HA MET A 9 14.606 4.357 5.739 1.00 0.00 H new ATOM 0 HB2 MET A 9 16.418 6.078 5.464 1.00 0.00 H new ATOM 0 HB3 MET A 9 17.300 4.959 4.445 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.536 4.949 2.778 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.446 5.820 3.839 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.519 9.469 3.711 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.354 8.240 4.256 1.00 0.00 H new ATOM 0 HE3 MET A 9 15.968 8.328 5.001 1.00 0.00 H new ATOM 143 N HIS A 10 16.461 1.928 4.580 1.00 0.00 N ATOM 144 CA HIS A 10 16.339 0.618 3.939 1.00 0.00 C ATOM 145 C HIS A 10 15.184 -0.218 4.522 1.00 0.00 C ATOM 146 O HIS A 10 14.398 -0.777 3.755 1.00 0.00 O ATOM 147 CB HIS A 10 17.664 -0.123 4.008 1.00 0.00 C ATOM 148 CG HIS A 10 17.633 -1.461 3.312 1.00 0.00 C ATOM 149 ND1 HIS A 10 17.159 -2.647 3.832 1.00 0.00 N ATOM 150 CD2 HIS A 10 18.015 -1.714 2.022 1.00 0.00 C ATOM 151 CE1 HIS A 10 17.249 -3.592 2.886 1.00 0.00 C ATOM 152 NE2 HIS A 10 17.778 -3.071 1.763 1.00 0.00 N ATOM 0 H HIS A 10 17.358 2.077 5.042 1.00 0.00 H new ATOM 0 HA HIS A 10 16.089 0.782 2.891 1.00 0.00 H new ATOM 0 HB2 HIS A 10 18.442 0.495 3.560 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.937 -0.270 5.053 1.00 0.00 H new ATOM 0 HD2 HIS A 10 18.426 -0.996 1.328 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.942 -4.620 3.007 1.00 0.00 H new ATOM 0 HE2 HIS A 10 17.969 -3.567 0.893 1.00 0.00 H new ATOM 160 N GLN A 11 15.031 -0.271 5.852 1.00 0.00 N ATOM 161 CA GLN A 11 13.958 -1.033 6.505 1.00 0.00 C ATOM 162 C GLN A 11 12.581 -0.401 6.277 1.00 0.00 C ATOM 163 O GLN A 11 11.613 -1.117 6.017 1.00 0.00 O ATOM 164 CB GLN A 11 14.230 -1.160 8.012 1.00 0.00 C ATOM 165 CG GLN A 11 13.293 -2.183 8.681 1.00 0.00 C ATOM 166 CD GLN A 11 13.533 -3.611 8.192 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.824 -4.138 7.345 1.00 0.00 O ATOM 168 NE2 GLN A 11 14.579 -4.259 8.654 1.00 0.00 N ATOM 0 H GLN A 11 15.647 0.213 6.505 1.00 0.00 H new ATOM 0 HA GLN A 11 13.948 -2.024 6.052 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.266 -1.459 8.170 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.103 -0.187 8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.433 -2.145 9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.258 -1.905 8.483 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.175 -3.827 9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.794 -5.193 8.307 1.00 0.00 H new ATOM 177 N ARG A 12 12.484 0.934 6.326 1.00 0.00 N ATOM 178 CA ARG A 12 11.273 1.662 5.919 1.00 0.00 C ATOM 179 C ARG A 12 10.872 1.310 4.506 1.00 0.00 C ATOM 180 O ARG A 12 9.788 0.790 4.295 1.00 0.00 O ATOM 181 CB ARG A 12 11.483 3.159 6.028 1.00 0.00 C ATOM 182 CG ARG A 12 11.517 3.596 7.479 1.00 0.00 C ATOM 183 CD ARG A 12 10.204 3.519 8.256 1.00 0.00 C ATOM 184 NE ARG A 12 9.870 2.173 8.771 1.00 0.00 N ATOM 185 CZ ARG A 12 8.763 1.488 8.537 1.00 0.00 C ATOM 186 NH1 ARG A 12 7.843 1.866 7.701 1.00 0.00 N ATOM 187 NH2 ARG A 12 8.559 0.373 9.173 1.00 0.00 N ATOM 0 H ARG A 12 13.240 1.539 6.648 1.00 0.00 H new ATOM 0 HA ARG A 12 10.471 1.363 6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.417 3.436 5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.682 3.682 5.505 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.255 2.986 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.872 4.626 7.515 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.253 4.213 9.095 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.394 3.857 7.609 1.00 0.00 H new ATOM 0 HE ARG A 12 10.566 1.727 9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.953 2.736 7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.011 1.292 7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.249 0.035 9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.709 -0.164 9.001 1.00 0.00 H new ATOM 201 N SER A 13 11.795 1.473 3.569 1.00 0.00 N ATOM 202 CA SER A 13 11.552 1.178 2.147 1.00 0.00 C ATOM 203 C SER A 13 11.130 -0.283 1.921 1.00 0.00 C ATOM 204 O SER A 13 10.207 -0.546 1.159 1.00 0.00 O ATOM 205 CB SER A 13 12.790 1.491 1.298 1.00 0.00 C ATOM 206 OG SER A 13 13.233 2.822 1.521 1.00 0.00 O ATOM 0 H SER A 13 12.737 1.813 3.764 1.00 0.00 H new ATOM 0 HA SER A 13 10.729 1.821 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.590 0.791 1.542 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.557 1.353 0.242 1.00 0.00 H new ATOM 0 HG SER A 13 13.891 2.830 2.247 1.00 0.00 H new ATOM 212 N GLN A 14 11.716 -1.229 2.659 1.00 0.00 N ATOM 213 CA GLN A 14 11.359 -2.654 2.654 1.00 0.00 C ATOM 214 C GLN A 14 9.963 -2.943 3.248 1.00 0.00 C ATOM 215 O GLN A 14 9.301 -3.904 2.839 1.00 0.00 O ATOM 216 CB GLN A 14 12.489 -3.365 3.409 1.00 0.00 C ATOM 217 CG GLN A 14 12.409 -4.888 3.477 1.00 0.00 C ATOM 218 CD GLN A 14 13.762 -5.457 3.900 1.00 0.00 C ATOM 219 OE1 GLN A 14 14.559 -5.890 3.081 1.00 0.00 O ATOM 220 NE2 GLN A 14 14.118 -5.441 5.163 1.00 0.00 N ATOM 0 H GLN A 14 12.480 -1.018 3.301 1.00 0.00 H new ATOM 0 HA GLN A 14 11.271 -3.024 1.633 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.435 -3.094 2.941 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.514 -2.979 4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.639 -5.190 4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.122 -5.290 2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.474 -5.085 5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.038 -5.784 5.438 1.00 0.00 H new ATOM 229 N ASN A 15 9.485 -2.103 4.170 1.00 0.00 N ATOM 230 CA ASN A 15 8.106 -2.101 4.666 1.00 0.00 C ATOM 231 C ASN A 15 7.123 -1.437 3.679 1.00 0.00 C ATOM 232 O ASN A 15 6.093 -2.022 3.349 1.00 0.00 O ATOM 233 CB ASN A 15 8.056 -1.473 6.066 1.00 0.00 C ATOM 234 CG ASN A 15 8.405 -2.467 7.154 1.00 0.00 C ATOM 235 OD1 ASN A 15 7.530 -3.032 7.794 1.00 0.00 O ATOM 236 ND2 ASN A 15 9.664 -2.716 7.412 1.00 0.00 N ATOM 0 H ASN A 15 10.064 -1.384 4.605 1.00 0.00 H new ATOM 0 HA ASN A 15 7.771 -3.135 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.748 -0.632 6.110 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.058 -1.074 6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.913 -3.380 8.145 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.396 -2.246 6.880 1.00 0.00 H new ATOM 243 N VAL A 16 7.465 -0.261 3.140 1.00 0.00 N ATOM 244 CA VAL A 16 6.699 0.435 2.089 1.00 0.00 C ATOM 245 C VAL A 16 6.528 -0.468 0.873 1.00 0.00 C ATOM 246 O VAL A 16 5.433 -0.538 0.338 1.00 0.00 O ATOM 247 CB VAL A 16 7.393 1.739 1.648 1.00 0.00 C ATOM 248 CG1 VAL A 16 6.598 2.472 0.560 1.00 0.00 C ATOM 249 CG2 VAL A 16 7.526 2.735 2.797 1.00 0.00 C ATOM 0 H VAL A 16 8.301 0.248 3.426 1.00 0.00 H new ATOM 0 HA VAL A 16 5.725 0.683 2.511 1.00 0.00 H new ATOM 0 HB VAL A 16 8.370 1.424 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.123 3.385 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.497 1.828 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.608 2.725 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.021 3.638 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.536 2.989 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.117 2.290 3.598 1.00 0.00 H new ATOM 259 N ALA A 17 7.558 -1.204 0.455 1.00 0.00 N ATOM 260 CA ALA A 17 7.483 -2.084 -0.706 1.00 0.00 C ATOM 261 C ALA A 17 6.493 -3.258 -0.512 1.00 0.00 C ATOM 262 O ALA A 17 5.842 -3.694 -1.467 1.00 0.00 O ATOM 263 CB ALA A 17 8.903 -2.589 -1.000 1.00 0.00 C ATOM 0 H ALA A 17 8.469 -1.205 0.914 1.00 0.00 H new ATOM 0 HA ALA A 17 7.092 -1.522 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.882 -3.252 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.555 -1.741 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.282 -3.134 -0.135 1.00 0.00 H new ATOM 269 N GLU A 18 6.333 -3.738 0.728 1.00 0.00 N ATOM 270 CA GLU A 18 5.383 -4.792 1.100 1.00 0.00 C ATOM 271 C GLU A 18 3.924 -4.291 1.018 1.00 0.00 C ATOM 272 O GLU A 18 3.045 -5.023 0.554 1.00 0.00 O ATOM 273 CB GLU A 18 5.770 -5.315 2.500 1.00 0.00 C ATOM 274 CG GLU A 18 4.983 -6.571 2.884 1.00 0.00 C ATOM 275 CD GLU A 18 5.458 -7.279 4.163 1.00 0.00 C ATOM 276 OE1 GLU A 18 6.247 -6.724 4.967 1.00 0.00 O ATOM 277 OE2 GLU A 18 5.008 -8.430 4.385 1.00 0.00 O ATOM 0 H GLU A 18 6.876 -3.394 1.520 1.00 0.00 H new ATOM 0 HA GLU A 18 5.437 -5.620 0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.837 -5.536 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.591 -4.535 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.935 -6.299 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.034 -7.279 2.057 1.00 0.00 H new ATOM 284 N LEU A 19 3.694 -3.021 1.380 1.00 0.00 N ATOM 285 CA LEU A 19 2.453 -2.259 1.174 1.00 0.00 C ATOM 286 C LEU A 19 2.202 -1.938 -0.315 1.00 0.00 C ATOM 287 O LEU A 19 1.104 -2.165 -0.819 1.00 0.00 O ATOM 288 CB LEU A 19 2.564 -0.985 2.023 1.00 0.00 C ATOM 289 CG LEU A 19 1.324 -0.073 1.942 1.00 0.00 C ATOM 290 CD1 LEU A 19 0.950 0.342 3.351 1.00 0.00 C ATOM 291 CD2 LEU A 19 1.592 1.205 1.149 1.00 0.00 C ATOM 0 H LEU A 19 4.409 -2.466 1.851 1.00 0.00 H new ATOM 0 HA LEU A 19 1.593 -2.852 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.729 -1.266 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.440 -0.421 1.702 1.00 0.00 H new ATOM 0 HG LEU A 19 0.533 -0.633 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.073 0.989 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.725 -0.545 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.782 0.880 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.687 1.813 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.393 1.768 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.887 0.947 0.132 1.00 0.00 H new ATOM 303 N LEU A 20 3.212 -1.433 -1.032 1.00 0.00 N ATOM 304 CA LEU A 20 3.100 -0.965 -2.419 1.00 0.00 C ATOM 305 C LEU A 20 2.720 -2.126 -3.346 1.00 0.00 C ATOM 306 O LEU A 20 1.792 -1.999 -4.137 1.00 0.00 O ATOM 307 CB LEU A 20 4.423 -0.298 -2.862 1.00 0.00 C ATOM 308 CG LEU A 20 4.387 0.785 -3.967 1.00 0.00 C ATOM 309 CD1 LEU A 20 3.002 1.177 -4.466 1.00 0.00 C ATOM 310 CD2 LEU A 20 5.053 2.056 -3.451 1.00 0.00 C ATOM 0 H LEU A 20 4.155 -1.336 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 20 2.308 -0.219 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.877 0.150 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.093 -1.089 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 20 4.909 0.331 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.096 1.941 -5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.504 0.301 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.414 1.569 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.029 2.820 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.519 2.415 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.088 1.842 -3.185 1.00 0.00 H new ATOM 322 N THR A 21 3.360 -3.290 -3.180 1.00 0.00 N ATOM 323 CA THR A 21 3.037 -4.519 -3.928 1.00 0.00 C ATOM 324 C THR A 21 1.569 -4.933 -3.730 1.00 0.00 C ATOM 325 O THR A 21 0.921 -5.348 -4.690 1.00 0.00 O ATOM 326 CB THR A 21 3.967 -5.671 -3.495 1.00 0.00 C ATOM 327 OG1 THR A 21 5.334 -5.320 -3.621 1.00 0.00 O ATOM 328 CG2 THR A 21 3.784 -6.923 -4.348 1.00 0.00 C ATOM 0 H THR A 21 4.125 -3.410 -2.516 1.00 0.00 H new ATOM 0 HA THR A 21 3.190 -4.308 -4.986 1.00 0.00 H new ATOM 0 HB THR A 21 3.697 -5.866 -2.457 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.578 -4.694 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.462 -7.702 -4.001 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.755 -7.273 -4.264 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.004 -6.689 -5.390 1.00 0.00 H new ATOM 336 N VAL A 22 1.009 -4.755 -2.527 1.00 0.00 N ATOM 337 CA VAL A 22 -0.405 -5.048 -2.229 1.00 0.00 C ATOM 338 C VAL A 22 -1.343 -4.021 -2.863 1.00 0.00 C ATOM 339 O VAL A 22 -2.348 -4.422 -3.444 1.00 0.00 O ATOM 340 CB VAL A 22 -0.615 -5.155 -0.704 1.00 0.00 C ATOM 341 CG1 VAL A 22 -2.080 -5.172 -0.267 1.00 0.00 C ATOM 342 CG2 VAL A 22 0.018 -6.443 -0.177 1.00 0.00 C ATOM 0 H VAL A 22 1.527 -4.400 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.656 -6.010 -2.675 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.149 -4.259 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.135 -5.249 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.567 -4.252 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.584 -6.027 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.135 -6.510 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.445 -7.302 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.087 -6.437 -0.392 1.00 0.00 H new ATOM 352 N LEU A 23 -1.023 -2.721 -2.827 1.00 0.00 N ATOM 353 CA LEU A 23 -1.834 -1.698 -3.510 1.00 0.00 C ATOM 354 C LEU A 23 -1.781 -1.850 -5.044 1.00 0.00 C ATOM 355 O LEU A 23 -2.794 -1.693 -5.725 1.00 0.00 O ATOM 356 CB LEU A 23 -1.398 -0.280 -3.094 1.00 0.00 C ATOM 357 CG LEU A 23 -1.484 0.110 -1.615 1.00 0.00 C ATOM 358 CD1 LEU A 23 -1.155 1.596 -1.446 1.00 0.00 C ATOM 359 CD2 LEU A 23 -2.889 -0.148 -1.120 1.00 0.00 C ATOM 0 H LEU A 23 -0.210 -2.351 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.868 -1.850 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.364 -0.145 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.001 0.431 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.770 -0.482 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.218 1.865 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.146 1.789 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.866 2.193 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.960 0.127 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.594 0.448 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.127 -1.205 -1.236 1.00 0.00 H new ATOM 371 N MET A 24 -0.620 -2.231 -5.582 1.00 0.00 N ATOM 372 CA MET A 24 -0.430 -2.613 -6.986 1.00 0.00 C ATOM 373 C MET A 24 -1.280 -3.835 -7.361 1.00 0.00 C ATOM 374 O MET A 24 -1.863 -3.858 -8.444 1.00 0.00 O ATOM 375 CB MET A 24 1.069 -2.862 -7.235 1.00 0.00 C ATOM 376 CG MET A 24 1.842 -1.545 -7.368 1.00 0.00 C ATOM 377 SD MET A 24 1.435 -0.563 -8.838 1.00 0.00 S ATOM 378 CE MET A 24 2.285 0.979 -8.411 1.00 0.00 C ATOM 0 H MET A 24 0.241 -2.284 -5.037 1.00 0.00 H new ATOM 0 HA MET A 24 -0.768 -1.800 -7.628 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.483 -3.447 -6.414 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.195 -3.453 -8.142 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.654 -0.939 -6.481 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.909 -1.767 -7.382 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.112 1.718 -9.193 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.900 1.356 -7.463 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.355 0.791 -8.319 1.00 0.00 H new ATOM 388 N ASP A 25 -1.454 -4.796 -6.447 1.00 0.00 N ATOM 389 CA ASP A 25 -2.382 -5.920 -6.619 1.00 0.00 C ATOM 390 C ASP A 25 -3.845 -5.445 -6.732 1.00 0.00 C ATOM 391 O ASP A 25 -4.589 -5.972 -7.557 1.00 0.00 O ATOM 392 CB ASP A 25 -2.217 -6.928 -5.464 1.00 0.00 C ATOM 393 CG ASP A 25 -1.718 -8.312 -5.895 1.00 0.00 C ATOM 394 OD1 ASP A 25 -2.122 -8.836 -6.958 1.00 0.00 O ATOM 395 OD2 ASP A 25 -0.921 -8.904 -5.127 1.00 0.00 O ATOM 0 H ASP A 25 -0.951 -4.816 -5.560 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.134 -6.417 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.520 -6.515 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.176 -7.043 -4.959 1.00 0.00 H new ATOM 400 N ILE A 26 -4.261 -4.407 -5.987 1.00 0.00 N ATOM 401 CA ILE A 26 -5.621 -3.842 -6.094 1.00 0.00 C ATOM 402 C ILE A 26 -5.801 -3.214 -7.477 1.00 0.00 C ATOM 403 O ILE A 26 -6.818 -3.433 -8.133 1.00 0.00 O ATOM 404 CB ILE A 26 -5.924 -2.774 -5.009 1.00 0.00 C ATOM 405 CG1 ILE A 26 -5.470 -3.095 -3.581 1.00 0.00 C ATOM 406 CG2 ILE A 26 -7.412 -2.385 -5.013 1.00 0.00 C ATOM 407 CD1 ILE A 26 -5.941 -4.426 -3.032 1.00 0.00 C ATOM 0 H ILE A 26 -3.672 -3.938 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.320 -4.665 -5.941 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.302 -1.931 -5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.381 -3.074 -3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.822 -2.303 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.594 -1.636 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.679 -1.976 -5.988 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.019 -3.267 -4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.565 -4.555 -2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.031 -4.450 -3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.567 -5.233 -3.662 1.00 0.00 H new ATOM 419 N ASN A 27 -4.791 -2.474 -7.942 1.00 0.00 N ATOM 420 CA ASN A 27 -4.824 -1.812 -9.247 1.00 0.00 C ATOM 421 C ASN A 27 -4.853 -2.822 -10.410 1.00 0.00 C ATOM 422 O ASN A 27 -5.642 -2.642 -11.341 1.00 0.00 O ATOM 423 CB ASN A 27 -3.645 -0.833 -9.336 1.00 0.00 C ATOM 424 CG ASN A 27 -3.590 -0.099 -10.664 1.00 0.00 C ATOM 425 OD1 ASN A 27 -2.725 -0.348 -11.493 1.00 0.00 O ATOM 426 ND2 ASN A 27 -4.494 0.818 -10.920 1.00 0.00 N ATOM 0 H ASN A 27 -3.927 -2.317 -7.423 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.751 -1.247 -9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.720 -0.106 -8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.713 -1.379 -9.189 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.474 1.320 -11.808 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.216 1.028 -10.231 1.00 0.00 H new ATOM 433 N LYS A 28 -4.069 -3.910 -10.326 1.00 0.00 N ATOM 434 CA LYS A 28 -4.095 -5.025 -11.287 1.00 0.00 C ATOM 435 C LYS A 28 -5.440 -5.757 -11.286 1.00 0.00 C ATOM 436 O LYS A 28 -6.019 -5.933 -12.358 1.00 0.00 O ATOM 437 CB LYS A 28 -2.948 -6.020 -11.000 1.00 0.00 C ATOM 438 CG LYS A 28 -1.689 -5.814 -11.857 1.00 0.00 C ATOM 439 CD LYS A 28 -0.811 -4.620 -11.448 1.00 0.00 C ATOM 440 CE LYS A 28 0.408 -4.447 -12.371 1.00 0.00 C ATOM 441 NZ LYS A 28 1.301 -5.634 -12.357 1.00 0.00 N ATOM 0 H LYS A 28 -3.389 -4.041 -9.577 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.955 -4.594 -12.278 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.672 -5.941 -9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.317 -7.034 -11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.086 -6.721 -11.813 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.993 -5.683 -12.896 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.409 -3.709 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.470 -4.757 -10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.066 -4.265 -13.390 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.972 -3.567 -12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.179 -5.414 -12.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.528 -5.886 -11.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.822 -6.434 -12.818 1.00 0.00 H new ATOM 455 N ILE A 29 -5.945 -6.163 -10.115 1.00 0.00 N ATOM 456 CA ILE A 29 -7.171 -6.973 -9.988 1.00 0.00 C ATOM 457 C ILE A 29 -8.419 -6.151 -10.340 1.00 0.00 C ATOM 458 O ILE A 29 -9.270 -6.630 -11.086 1.00 0.00 O ATOM 459 CB ILE A 29 -7.272 -7.618 -8.580 1.00 0.00 C ATOM 460 CG1 ILE A 29 -6.130 -8.643 -8.357 1.00 0.00 C ATOM 461 CG2 ILE A 29 -8.629 -8.327 -8.379 1.00 0.00 C ATOM 462 CD1 ILE A 29 -5.963 -9.075 -6.893 1.00 0.00 C ATOM 0 H ILE A 29 -5.513 -5.939 -9.219 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.114 -7.788 -10.709 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.183 -6.810 -7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.322 -9.526 -8.967 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.193 -8.211 -8.708 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.665 -8.767 -7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.437 -7.603 -8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.744 -9.112 -9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.146 -9.792 -6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.739 -8.202 -6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.886 -9.538 -6.543 1.00 0.00 H new ATOM 474 N ASN A 30 -8.536 -4.906 -9.864 1.00 0.00 N ATOM 475 CA ASN A 30 -9.690 -4.049 -10.159 1.00 0.00 C ATOM 476 C ASN A 30 -9.614 -3.406 -11.560 1.00 0.00 C ATOM 477 O ASN A 30 -10.644 -3.040 -12.131 1.00 0.00 O ATOM 478 CB ASN A 30 -9.858 -3.020 -9.023 1.00 0.00 C ATOM 479 CG ASN A 30 -11.237 -2.381 -9.007 1.00 0.00 C ATOM 480 OD1 ASN A 30 -11.405 -1.183 -9.214 1.00 0.00 O ATOM 481 ND2 ASN A 30 -12.255 -3.156 -8.724 1.00 0.00 N ATOM 0 H ASN A 30 -7.837 -4.466 -9.266 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.588 -4.666 -10.196 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.678 -3.510 -8.066 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.103 -2.241 -9.130 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.196 -2.765 -8.674 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.107 -4.151 -8.553 1.00 0.00 H new ATOM 488 N GLY A 31 -8.418 -3.303 -12.145 1.00 0.00 N ATOM 489 CA GLY A 31 -8.199 -2.776 -13.494 1.00 0.00 C ATOM 490 C GLY A 31 -8.479 -1.280 -13.617 1.00 0.00 C ATOM 491 O GLY A 31 -9.218 -0.841 -14.505 1.00 0.00 O ATOM 0 H GLY A 31 -7.555 -3.590 -11.683 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.167 -2.970 -13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.837 -3.316 -14.194 1.00 0.00 H new ATOM 495 N GLY A 32 -7.877 -0.504 -12.715 1.00 0.00 N ATOM 496 CA GLY A 32 -7.667 0.930 -12.912 1.00 0.00 C ATOM 497 C GLY A 32 -6.477 1.204 -13.835 1.00 0.00 C ATOM 498 O GLY A 32 -5.786 0.287 -14.288 1.00 0.00 O ATOM 0 H GLY A 32 -7.521 -0.853 -11.825 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.567 1.375 -13.336 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.498 1.409 -11.948 1.00 0.00 H new ATOM 502 N ASP A 33 -6.219 2.475 -14.108 1.00 0.00 N ATOM 503 CA ASP A 33 -5.146 2.924 -15.003 1.00 0.00 C ATOM 504 C ASP A 33 -3.777 3.008 -14.299 1.00 0.00 C ATOM 505 O ASP A 33 -3.681 2.976 -13.069 1.00 0.00 O ATOM 506 CB ASP A 33 -5.573 4.262 -15.630 1.00 0.00 C ATOM 507 CG ASP A 33 -4.654 4.707 -16.768 1.00 0.00 C ATOM 508 OD1 ASP A 33 -4.413 3.899 -17.696 1.00 0.00 O ATOM 509 OD2 ASP A 33 -4.104 5.834 -16.719 1.00 0.00 O ATOM 0 H ASP A 33 -6.757 3.244 -13.708 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.002 2.185 -15.791 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.592 4.172 -16.007 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.586 5.031 -14.858 1.00 0.00 H new ATOM 514 N SER A 34 -2.705 3.165 -15.083 1.00 0.00 N ATOM 515 CA SER A 34 -1.353 3.416 -14.567 1.00 0.00 C ATOM 516 C SER A 34 -1.238 4.775 -13.852 1.00 0.00 C ATOM 517 O SER A 34 -0.375 4.963 -12.996 1.00 0.00 O ATOM 518 CB SER A 34 -0.347 3.306 -15.716 1.00 0.00 C ATOM 519 OG SER A 34 0.964 3.136 -15.223 1.00 0.00 O ATOM 0 H SER A 34 -2.750 3.121 -16.101 1.00 0.00 H new ATOM 0 HA SER A 34 -1.130 2.660 -13.814 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.611 2.464 -16.356 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.394 4.203 -16.333 1.00 0.00 H new ATOM 0 HG SER A 34 1.590 3.067 -15.974 1.00 0.00 H new ATOM 525 N THR A 35 -2.129 5.731 -14.128 1.00 0.00 N ATOM 526 CA THR A 35 -2.284 6.966 -13.340 1.00 0.00 C ATOM 527 C THR A 35 -2.854 6.684 -11.946 1.00 0.00 C ATOM 528 O THR A 35 -2.346 7.212 -10.957 1.00 0.00 O ATOM 529 CB THR A 35 -3.201 7.944 -14.089 1.00 0.00 C ATOM 530 OG1 THR A 35 -4.401 7.317 -14.498 1.00 0.00 O ATOM 531 CG2 THR A 35 -2.531 8.501 -15.342 1.00 0.00 C ATOM 0 H THR A 35 -2.774 5.672 -14.916 1.00 0.00 H new ATOM 0 HA THR A 35 -1.296 7.407 -13.211 1.00 0.00 H new ATOM 0 HB THR A 35 -3.413 8.751 -13.387 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.305 6.996 -15.419 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.212 9.189 -15.844 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.621 9.031 -15.063 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.281 7.682 -16.016 1.00 0.00 H new ATOM 539 N THR A 36 -3.822 5.770 -11.824 1.00 0.00 N ATOM 540 CA THR A 36 -4.301 5.264 -10.531 1.00 0.00 C ATOM 541 C THR A 36 -3.192 4.513 -9.779 1.00 0.00 C ATOM 542 O THR A 36 -3.078 4.638 -8.562 1.00 0.00 O ATOM 543 CB THR A 36 -5.527 4.348 -10.703 1.00 0.00 C ATOM 544 OG1 THR A 36 -6.347 4.748 -11.781 1.00 0.00 O ATOM 545 CG2 THR A 36 -6.394 4.358 -9.449 1.00 0.00 C ATOM 0 H THR A 36 -4.300 5.357 -12.625 1.00 0.00 H new ATOM 0 HA THR A 36 -4.597 6.132 -9.941 1.00 0.00 H new ATOM 0 HB THR A 36 -5.129 3.352 -10.895 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.111 4.139 -11.854 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.253 3.704 -9.596 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.809 4.005 -8.600 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.740 5.373 -9.254 1.00 0.00 H new ATOM 553 N ALA A 37 -2.317 3.793 -10.492 1.00 0.00 N ATOM 554 CA ALA A 37 -1.143 3.127 -9.918 1.00 0.00 C ATOM 555 C ALA A 37 -0.112 4.125 -9.348 1.00 0.00 C ATOM 556 O ALA A 37 0.403 3.936 -8.244 1.00 0.00 O ATOM 557 CB ALA A 37 -0.523 2.233 -10.999 1.00 0.00 C ATOM 0 H ALA A 37 -2.407 3.655 -11.499 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.460 2.522 -9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.353 1.727 -10.594 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.254 1.491 -11.321 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.227 2.845 -11.851 1.00 0.00 H new ATOM 563 N GLU A 38 0.134 5.238 -10.043 1.00 0.00 N ATOM 564 CA GLU A 38 0.930 6.363 -9.530 1.00 0.00 C ATOM 565 C GLU A 38 0.279 7.008 -8.288 1.00 0.00 C ATOM 566 O GLU A 38 0.964 7.266 -7.298 1.00 0.00 O ATOM 567 CB GLU A 38 1.178 7.370 -10.653 1.00 0.00 C ATOM 568 CG GLU A 38 2.154 6.886 -11.740 1.00 0.00 C ATOM 569 CD GLU A 38 3.623 6.762 -11.307 1.00 0.00 C ATOM 570 OE1 GLU A 38 4.201 7.719 -10.738 1.00 0.00 O ATOM 571 OE2 GLU A 38 4.250 5.719 -11.605 1.00 0.00 O ATOM 0 H GLU A 38 -0.217 5.388 -10.989 1.00 0.00 H new ATOM 0 HA GLU A 38 1.896 5.987 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.225 7.615 -11.121 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.566 8.291 -10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.817 5.914 -12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.100 7.574 -12.584 1.00 0.00 H new ATOM 578 N LYS A 39 -1.055 7.152 -8.256 1.00 0.00 N ATOM 579 CA LYS A 39 -1.803 7.541 -7.043 1.00 0.00 C ATOM 580 C LYS A 39 -1.624 6.567 -5.869 1.00 0.00 C ATOM 581 O LYS A 39 -1.634 7.015 -4.721 1.00 0.00 O ATOM 582 CB LYS A 39 -3.286 7.746 -7.391 1.00 0.00 C ATOM 583 CG LYS A 39 -3.671 9.215 -7.609 1.00 0.00 C ATOM 584 CD LYS A 39 -2.853 9.959 -8.675 1.00 0.00 C ATOM 585 CE LYS A 39 -3.377 11.391 -8.794 1.00 0.00 C ATOM 586 NZ LYS A 39 -2.496 12.223 -9.639 1.00 0.00 N ATOM 0 H LYS A 39 -1.650 7.002 -9.071 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.381 8.483 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.520 7.181 -8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.899 7.334 -6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.724 9.260 -7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.568 9.744 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.797 9.966 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.932 9.448 -9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.381 11.378 -9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.455 11.834 -7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.881 13.187 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.544 12.255 -9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.442 11.813 -10.593 1.00 0.00 H new ATOM 600 N MET A 40 -1.402 5.271 -6.110 1.00 0.00 N ATOM 601 CA MET A 40 -1.050 4.312 -5.046 1.00 0.00 C ATOM 602 C MET A 40 0.380 4.512 -4.527 1.00 0.00 C ATOM 603 O MET A 40 0.591 4.453 -3.315 1.00 0.00 O ATOM 604 CB MET A 40 -1.241 2.860 -5.497 1.00 0.00 C ATOM 605 CG MET A 40 -2.677 2.491 -5.881 1.00 0.00 C ATOM 606 SD MET A 40 -3.951 2.651 -4.589 1.00 0.00 S ATOM 607 CE MET A 40 -4.558 4.339 -4.889 1.00 0.00 C ATOM 0 H MET A 40 -1.459 4.855 -7.039 1.00 0.00 H new ATOM 0 HA MET A 40 -1.739 4.514 -4.226 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.591 2.671 -6.352 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.913 2.199 -4.695 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.972 3.114 -6.725 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.679 1.459 -6.231 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.368 4.955 -4.010 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.041 4.764 -5.749 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.629 4.310 -5.088 1.00 0.00 H new ATOM 617 N LYS A 41 1.347 4.834 -5.400 1.00 0.00 N ATOM 618 CA LYS A 41 2.700 5.266 -4.972 1.00 0.00 C ATOM 619 C LYS A 41 2.640 6.497 -4.057 1.00 0.00 C ATOM 620 O LYS A 41 3.260 6.502 -2.993 1.00 0.00 O ATOM 621 CB LYS A 41 3.634 5.519 -6.152 1.00 0.00 C ATOM 622 CG LYS A 41 3.905 4.283 -7.018 1.00 0.00 C ATOM 623 CD LYS A 41 4.733 4.657 -8.255 1.00 0.00 C ATOM 624 CE LYS A 41 4.955 3.408 -9.108 1.00 0.00 C ATOM 625 NZ LYS A 41 5.694 3.704 -10.355 1.00 0.00 N ATOM 0 H LYS A 41 1.223 4.805 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 41 3.116 4.436 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.205 6.301 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.583 5.899 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.436 3.532 -6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.960 3.836 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.216 5.421 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.691 5.080 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.507 2.668 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.991 2.964 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.939 2.813 -10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.099 4.282 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.565 4.225 -10.127 1.00 0.00 H new ATOM 639 N VAL A 42 1.820 7.491 -4.417 1.00 0.00 N ATOM 640 CA VAL A 42 1.529 8.675 -3.580 1.00 0.00 C ATOM 641 C VAL A 42 0.892 8.280 -2.239 1.00 0.00 C ATOM 642 O VAL A 42 1.301 8.799 -1.202 1.00 0.00 O ATOM 643 CB VAL A 42 0.637 9.678 -4.347 1.00 0.00 C ATOM 644 CG1 VAL A 42 0.151 10.852 -3.487 1.00 0.00 C ATOM 645 CG2 VAL A 42 1.391 10.274 -5.543 1.00 0.00 C ATOM 0 H VAL A 42 1.329 7.502 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 42 2.477 9.163 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.228 9.097 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.469 11.514 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.434 10.472 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.010 11.405 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.744 10.977 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.281 10.795 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.685 9.474 -6.223 1.00 0.00 H new ATOM 655 N HIS A 43 -0.043 7.322 -2.219 1.00 0.00 N ATOM 656 CA HIS A 43 -0.732 6.886 -1.002 1.00 0.00 C ATOM 657 C HIS A 43 0.253 6.184 -0.060 1.00 0.00 C ATOM 658 O HIS A 43 0.231 6.437 1.143 1.00 0.00 O ATOM 659 CB HIS A 43 -1.917 5.979 -1.388 1.00 0.00 C ATOM 660 CG HIS A 43 -2.882 5.632 -0.274 1.00 0.00 C ATOM 661 ND1 HIS A 43 -2.727 5.866 1.076 1.00 0.00 N ATOM 662 CD2 HIS A 43 -4.108 5.042 -0.432 1.00 0.00 C ATOM 663 CE1 HIS A 43 -3.831 5.436 1.710 1.00 0.00 C ATOM 664 NE2 HIS A 43 -4.709 4.921 0.829 1.00 0.00 N ATOM 0 H HIS A 43 -0.344 6.824 -3.057 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.128 7.748 -0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.476 6.467 -2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.519 5.051 -1.798 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -1.913 6.293 1.518 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.539 4.724 -1.370 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.991 5.495 2.776 1.00 0.00 H new ATOM 672 N ALA A 44 1.164 5.373 -0.606 1.00 0.00 N ATOM 673 CA ALA A 44 2.190 4.673 0.156 1.00 0.00 C ATOM 674 C ALA A 44 3.244 5.628 0.757 1.00 0.00 C ATOM 675 O ALA A 44 3.528 5.572 1.955 1.00 0.00 O ATOM 676 CB ALA A 44 2.843 3.640 -0.769 1.00 0.00 C ATOM 0 H ALA A 44 1.206 5.185 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 44 1.722 4.181 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.617 3.100 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.088 2.936 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.290 4.148 -1.624 1.00 0.00 H new ATOM 682 N LYS A 45 3.792 6.546 -0.057 1.00 0.00 N ATOM 683 CA LYS A 45 4.781 7.551 0.384 1.00 0.00 C ATOM 684 C LYS A 45 4.188 8.557 1.380 1.00 0.00 C ATOM 685 O LYS A 45 4.871 8.963 2.323 1.00 0.00 O ATOM 686 CB LYS A 45 5.375 8.264 -0.845 1.00 0.00 C ATOM 687 CG LYS A 45 6.337 7.356 -1.631 1.00 0.00 C ATOM 688 CD LYS A 45 6.817 8.038 -2.920 1.00 0.00 C ATOM 689 CE LYS A 45 7.868 7.178 -3.634 1.00 0.00 C ATOM 690 NZ LYS A 45 8.277 7.781 -4.927 1.00 0.00 N ATOM 0 H LYS A 45 3.561 6.614 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 45 5.577 7.030 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.567 8.589 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.905 9.160 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.195 7.106 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.837 6.419 -1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.969 8.209 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.239 9.015 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.742 7.062 -2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.466 6.180 -3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.988 7.175 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.447 7.868 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.683 8.723 -4.758 1.00 0.00 H new ATOM 704 N SER A 46 2.913 8.908 1.214 1.00 0.00 N ATOM 705 CA SER A 46 2.144 9.705 2.175 1.00 0.00 C ATOM 706 C SER A 46 1.866 8.955 3.485 1.00 0.00 C ATOM 707 O SER A 46 1.999 9.554 4.554 1.00 0.00 O ATOM 708 CB SER A 46 0.822 10.171 1.561 1.00 0.00 C ATOM 709 OG SER A 46 0.234 11.135 2.411 1.00 0.00 O ATOM 0 H SER A 46 2.373 8.642 0.391 1.00 0.00 H new ATOM 0 HA SER A 46 2.762 10.570 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.995 10.596 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.149 9.324 1.430 1.00 0.00 H new ATOM 0 HG SER A 46 -0.613 11.440 2.023 1.00 0.00 H new ATOM 715 N PHE A 47 1.537 7.656 3.427 1.00 0.00 N ATOM 716 CA PHE A 47 1.247 6.838 4.613 1.00 0.00 C ATOM 717 C PHE A 47 2.425 6.815 5.597 1.00 0.00 C ATOM 718 O PHE A 47 2.220 7.055 6.784 1.00 0.00 O ATOM 719 CB PHE A 47 0.838 5.416 4.206 1.00 0.00 C ATOM 720 CG PHE A 47 0.396 4.532 5.363 1.00 0.00 C ATOM 721 CD1 PHE A 47 -0.718 4.888 6.150 1.00 0.00 C ATOM 722 CD2 PHE A 47 1.091 3.342 5.647 1.00 0.00 C ATOM 723 CE1 PHE A 47 -1.119 4.071 7.224 1.00 0.00 C ATOM 724 CE2 PHE A 47 0.683 2.519 6.712 1.00 0.00 C ATOM 725 CZ PHE A 47 -0.417 2.886 7.507 1.00 0.00 C ATOM 0 H PHE A 47 1.464 7.141 2.550 1.00 0.00 H new ATOM 0 HA PHE A 47 0.407 7.301 5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.026 5.478 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.679 4.940 3.702 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.266 5.792 5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.942 3.059 5.044 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.966 4.355 7.831 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.216 1.603 6.920 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.722 2.260 8.332 1.00 0.00 H new ATOM 735 N GLU A 48 3.659 6.648 5.105 1.00 0.00 N ATOM 736 CA GLU A 48 4.881 6.776 5.922 1.00 0.00 C ATOM 737 C GLU A 48 4.920 8.113 6.672 1.00 0.00 C ATOM 738 O GLU A 48 5.031 8.159 7.895 1.00 0.00 O ATOM 739 CB GLU A 48 6.107 6.822 4.984 1.00 0.00 C ATOM 740 CG GLU A 48 6.559 5.502 4.379 1.00 0.00 C ATOM 741 CD GLU A 48 7.663 4.883 5.248 1.00 0.00 C ATOM 742 OE1 GLU A 48 8.837 5.278 5.051 1.00 0.00 O ATOM 743 OE2 GLU A 48 7.356 4.078 6.156 1.00 0.00 O ATOM 0 H GLU A 48 3.843 6.420 4.128 1.00 0.00 H new ATOM 0 HA GLU A 48 4.890 5.935 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.885 7.511 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.944 7.245 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.714 4.817 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.928 5.663 3.366 1.00 0.00 H new ATOM 750 N ALA A 49 4.780 9.199 5.913 1.00 0.00 N ATOM 751 CA ALA A 49 4.966 10.570 6.386 1.00 0.00 C ATOM 752 C ALA A 49 3.863 11.047 7.350 1.00 0.00 C ATOM 753 O ALA A 49 4.125 11.887 8.218 1.00 0.00 O ATOM 754 CB ALA A 49 5.070 11.472 5.149 1.00 0.00 C ATOM 0 H ALA A 49 4.527 9.148 4.926 1.00 0.00 H new ATOM 0 HA ALA A 49 5.879 10.617 6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.210 12.506 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.919 11.160 4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.155 11.392 4.562 1.00 0.00 H new ATOM 760 N ALA A 50 2.647 10.509 7.221 1.00 0.00 N ATOM 761 CA ALA A 50 1.541 10.740 8.148 1.00 0.00 C ATOM 762 C ALA A 50 1.685 9.885 9.420 1.00 0.00 C ATOM 763 O ALA A 50 1.496 10.382 10.530 1.00 0.00 O ATOM 764 CB ALA A 50 0.225 10.460 7.412 1.00 0.00 C ATOM 0 H ALA A 50 2.401 9.887 6.451 1.00 0.00 H new ATOM 0 HA ALA A 50 1.550 11.778 8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.613 10.627 8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.138 11.128 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.213 9.426 7.069 1.00 0.00 H new ATOM 770 N LEU A 51 2.076 8.613 9.285 1.00 0.00 N ATOM 771 CA LEU A 51 2.253 7.708 10.419 1.00 0.00 C ATOM 772 C LEU A 51 3.470 8.089 11.282 1.00 0.00 C ATOM 773 O LEU A 51 3.435 7.931 12.500 1.00 0.00 O ATOM 774 CB LEU A 51 2.346 6.272 9.869 1.00 0.00 C ATOM 775 CG LEU A 51 2.120 5.180 10.925 1.00 0.00 C ATOM 776 CD1 LEU A 51 0.689 5.155 11.463 1.00 0.00 C ATOM 777 CD2 LEU A 51 2.417 3.818 10.304 1.00 0.00 C ATOM 0 H LEU A 51 2.278 8.184 8.382 1.00 0.00 H new ATOM 0 HA LEU A 51 1.398 7.785 11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.611 6.151 9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.329 6.130 9.419 1.00 0.00 H new ATOM 0 HG LEU A 51 2.787 5.402 11.758 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.593 4.362 12.205 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.457 6.115 11.925 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.005 4.970 10.643 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.259 3.037 11.048 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.752 3.652 9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.452 3.791 9.964 1.00 0.00 H new ATOM 789 N PHE A 52 4.522 8.650 10.674 1.00 0.00 N ATOM 790 CA PHE A 52 5.735 9.099 11.370 1.00 0.00 C ATOM 791 C PHE A 52 5.474 10.257 12.358 1.00 0.00 C ATOM 792 O PHE A 52 6.105 10.324 13.414 1.00 0.00 O ATOM 793 CB PHE A 52 6.827 9.425 10.341 1.00 0.00 C ATOM 794 CG PHE A 52 8.226 9.362 10.916 1.00 0.00 C ATOM 795 CD1 PHE A 52 8.915 8.135 10.935 1.00 0.00 C ATOM 796 CD2 PHE A 52 8.829 10.513 11.451 1.00 0.00 C ATOM 797 CE1 PHE A 52 10.186 8.047 11.526 1.00 0.00 C ATOM 798 CE2 PHE A 52 10.099 10.425 12.050 1.00 0.00 C ATOM 799 CZ PHE A 52 10.768 9.188 12.107 1.00 0.00 C ATOM 0 H PHE A 52 4.555 8.808 9.667 1.00 0.00 H new ATOM 0 HA PHE A 52 6.088 8.281 11.998 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.752 8.727 9.508 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.651 10.422 9.938 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.465 7.258 10.494 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.318 11.463 11.402 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.715 7.106 11.534 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.561 11.308 12.467 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.728 9.115 12.597 1.00 0.00 H new ATOM 809 N GLU A 53 4.486 11.120 12.082 1.00 0.00 N ATOM 810 CA GLU A 53 3.994 12.149 13.020 1.00 0.00 C ATOM 811 C GLU A 53 3.450 11.513 14.314 1.00 0.00 C ATOM 812 O GLU A 53 3.697 11.996 15.424 1.00 0.00 O ATOM 813 CB GLU A 53 2.906 12.973 12.296 1.00 0.00 C ATOM 814 CG GLU A 53 2.476 14.279 12.984 1.00 0.00 C ATOM 815 CD GLU A 53 1.378 14.106 14.045 1.00 0.00 C ATOM 816 OE1 GLU A 53 0.192 13.874 13.697 1.00 0.00 O ATOM 817 OE2 GLU A 53 1.668 14.269 15.255 1.00 0.00 O ATOM 0 H GLU A 53 3.996 11.126 11.187 1.00 0.00 H new ATOM 0 HA GLU A 53 4.814 12.802 13.319 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.267 13.215 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.024 12.344 12.173 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.349 14.733 13.453 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.123 14.977 12.224 1.00 0.00 H new ATOM 824 N LYS A 54 2.764 10.372 14.180 1.00 0.00 N ATOM 825 CA LYS A 54 2.072 9.641 15.252 1.00 0.00 C ATOM 826 C LYS A 54 2.914 8.521 15.884 1.00 0.00 C ATOM 827 O LYS A 54 2.472 7.888 16.843 1.00 0.00 O ATOM 828 CB LYS A 54 0.723 9.145 14.701 1.00 0.00 C ATOM 829 CG LYS A 54 -0.075 10.321 14.110 1.00 0.00 C ATOM 830 CD LYS A 54 -1.554 10.001 13.863 1.00 0.00 C ATOM 831 CE LYS A 54 -2.280 11.202 13.237 1.00 0.00 C ATOM 832 NZ LYS A 54 -2.245 12.393 14.118 1.00 0.00 N ATOM 0 H LYS A 54 2.671 9.909 13.276 1.00 0.00 H new ATOM 0 HA LYS A 54 1.897 10.323 16.084 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.891 8.388 13.934 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.149 8.670 15.497 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.005 11.172 14.787 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.384 10.623 13.169 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.638 9.137 13.204 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.034 9.732 14.804 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.819 11.446 12.280 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.316 10.933 13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.052 13.011 13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.300 12.091 15.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.358 12.914 13.963 1.00 0.00 H new ATOM 846 N SER A 55 4.142 8.336 15.395 1.00 0.00 N ATOM 847 CA SER A 55 5.168 7.356 15.804 1.00 0.00 C ATOM 848 C SER A 55 5.717 7.505 17.238 1.00 0.00 C ATOM 849 O SER A 55 6.821 7.034 17.528 1.00 0.00 O ATOM 850 CB SER A 55 6.311 7.370 14.780 1.00 0.00 C ATOM 851 OG SER A 55 7.207 6.302 15.000 1.00 0.00 O ATOM 0 H SER A 55 4.482 8.920 14.631 1.00 0.00 H new ATOM 0 HA SER A 55 4.660 6.392 15.822 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.901 7.302 13.772 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.847 8.317 14.843 1.00 0.00 H new ATOM 0 HG SER A 55 7.370 6.205 15.961 1.00 0.00 H new ATOM 857 N SER A 56 4.999 8.177 18.137 1.00 0.00 N ATOM 858 CA SER A 56 5.463 8.546 19.483 1.00 0.00 C ATOM 859 C SER A 56 5.785 7.334 20.376 1.00 0.00 C ATOM 860 O SER A 56 6.497 7.482 21.364 1.00 0.00 O ATOM 861 CB SER A 56 4.436 9.477 20.141 1.00 0.00 C ATOM 862 OG SER A 56 4.104 10.539 19.252 1.00 0.00 O ATOM 0 H SER A 56 4.048 8.492 17.947 1.00 0.00 H new ATOM 0 HA SER A 56 6.410 9.073 19.369 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.539 8.916 20.402 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.841 9.881 21.069 1.00 0.00 H new ATOM 0 HG SER A 56 3.447 11.128 19.678 1.00 0.00 H new ATOM 868 N SER A 57 5.353 6.129 19.986 1.00 0.00 N ATOM 869 CA SER A 57 5.918 4.841 20.404 1.00 0.00 C ATOM 870 C SER A 57 6.060 3.960 19.158 1.00 0.00 C ATOM 871 O SER A 57 5.167 3.915 18.304 1.00 0.00 O ATOM 872 CB SER A 57 5.010 4.186 21.444 1.00 0.00 C ATOM 873 OG SER A 57 5.359 2.847 21.752 1.00 0.00 O ATOM 0 H SER A 57 4.568 6.020 19.344 1.00 0.00 H new ATOM 0 HA SER A 57 6.896 4.980 20.864 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.037 4.777 22.359 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.983 4.209 21.080 1.00 0.00 H new ATOM 0 HG SER A 57 4.739 2.493 22.423 1.00 0.00 H new ATOM 879 N LYS A 58 7.187 3.254 19.043 1.00 0.00 N ATOM 880 CA LYS A 58 7.519 2.419 17.873 1.00 0.00 C ATOM 881 C LYS A 58 6.647 1.164 17.808 1.00 0.00 C ATOM 882 O LYS A 58 6.302 0.739 16.706 1.00 0.00 O ATOM 883 CB LYS A 58 9.029 2.112 17.856 1.00 0.00 C ATOM 884 CG LYS A 58 9.520 1.435 16.599 1.00 0.00 C ATOM 885 CD LYS A 58 11.048 1.254 16.622 1.00 0.00 C ATOM 886 CE LYS A 58 11.514 0.663 15.294 1.00 0.00 C ATOM 887 NZ LYS A 58 11.480 -0.820 15.285 1.00 0.00 N ATOM 0 H LYS A 58 7.907 3.242 19.765 1.00 0.00 H new ATOM 0 HA LYS A 58 7.292 2.976 16.964 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.577 3.045 17.988 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.267 1.479 18.711 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.038 0.463 16.495 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.235 2.027 15.729 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.535 2.213 16.796 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.334 0.598 17.444 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.882 1.042 14.491 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.530 1.000 15.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.522 -1.162 14.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.295 -1.189 15.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.599 -1.150 15.729 1.00 0.00 H new ATOM 901 N GLU A 59 6.205 0.644 18.959 1.00 0.00 N ATOM 902 CA GLU A 59 5.209 -0.435 19.034 1.00 0.00 C ATOM 903 C GLU A 59 3.948 -0.070 18.238 1.00 0.00 C ATOM 904 O GLU A 59 3.485 -0.883 17.442 1.00 0.00 O ATOM 905 CB GLU A 59 4.863 -0.772 20.503 1.00 0.00 C ATOM 906 CG GLU A 59 3.951 -2.013 20.621 1.00 0.00 C ATOM 907 CD GLU A 59 3.553 -2.364 22.067 1.00 0.00 C ATOM 908 OE1 GLU A 59 4.440 -2.435 22.956 1.00 0.00 O ATOM 909 OE2 GLU A 59 2.344 -2.606 22.317 1.00 0.00 O ATOM 0 H GLU A 59 6.530 0.962 19.872 1.00 0.00 H new ATOM 0 HA GLU A 59 5.644 -1.327 18.584 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.784 -0.946 21.060 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.369 0.084 20.963 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.046 -1.843 20.037 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.460 -2.869 20.178 1.00 0.00 H new ATOM 916 N GLU A 60 3.440 1.160 18.382 1.00 0.00 N ATOM 917 CA GLU A 60 2.223 1.621 17.697 1.00 0.00 C ATOM 918 C GLU A 60 2.444 1.862 16.204 1.00 0.00 C ATOM 919 O GLU A 60 1.605 1.476 15.388 1.00 0.00 O ATOM 920 CB GLU A 60 1.699 2.933 18.318 1.00 0.00 C ATOM 921 CG GLU A 60 1.536 2.936 19.838 1.00 0.00 C ATOM 922 CD GLU A 60 0.620 1.841 20.385 1.00 0.00 C ATOM 923 OE1 GLU A 60 -0.627 1.980 20.314 1.00 0.00 O ATOM 924 OE2 GLU A 60 1.145 0.873 20.980 1.00 0.00 O ATOM 0 H GLU A 60 3.863 1.869 18.981 1.00 0.00 H new ATOM 0 HA GLU A 60 1.494 0.821 17.822 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.380 3.739 18.044 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.733 3.164 17.868 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.520 2.830 20.295 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.144 3.906 20.146 1.00 0.00 H new ATOM 931 N TYR A 61 3.576 2.469 15.840 1.00 0.00 N ATOM 932 CA TYR A 61 3.961 2.717 14.450 1.00 0.00 C ATOM 933 C TYR A 61 4.035 1.404 13.657 1.00 0.00 C ATOM 934 O TYR A 61 3.347 1.238 12.646 1.00 0.00 O ATOM 935 CB TYR A 61 5.304 3.457 14.452 1.00 0.00 C ATOM 936 CG TYR A 61 5.868 3.749 13.078 1.00 0.00 C ATOM 937 CD1 TYR A 61 5.448 4.889 12.366 1.00 0.00 C ATOM 938 CD2 TYR A 61 6.824 2.882 12.516 1.00 0.00 C ATOM 939 CE1 TYR A 61 5.970 5.161 11.086 1.00 0.00 C ATOM 940 CE2 TYR A 61 7.359 3.156 11.247 1.00 0.00 C ATOM 941 CZ TYR A 61 6.930 4.291 10.528 1.00 0.00 C ATOM 942 OH TYR A 61 7.452 4.542 9.302 1.00 0.00 O ATOM 0 H TYR A 61 4.262 2.807 16.515 1.00 0.00 H new ATOM 0 HA TYR A 61 3.210 3.333 13.956 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.184 4.399 14.988 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.029 2.864 15.009 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.722 5.558 12.803 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.146 2.007 13.061 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.638 6.029 10.536 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.100 2.496 10.821 1.00 0.00 H new ATOM 0 HH TYR A 61 8.253 5.099 9.395 1.00 0.00 H new ATOM 952 N GLN A 62 4.794 0.432 14.174 1.00 0.00 N ATOM 953 CA GLN A 62 4.937 -0.882 13.550 1.00 0.00 C ATOM 954 C GLN A 62 3.600 -1.647 13.542 1.00 0.00 C ATOM 955 O GLN A 62 3.204 -2.169 12.499 1.00 0.00 O ATOM 956 CB GLN A 62 6.025 -1.686 14.279 1.00 0.00 C ATOM 957 CG GLN A 62 7.436 -1.111 14.117 1.00 0.00 C ATOM 958 CD GLN A 62 8.469 -2.018 14.778 1.00 0.00 C ATOM 959 OE1 GLN A 62 8.904 -1.815 15.900 1.00 0.00 O ATOM 960 NE2 GLN A 62 8.966 -3.030 14.117 1.00 0.00 N ATOM 0 H GLN A 62 5.326 0.537 15.038 1.00 0.00 H new ATOM 0 HA GLN A 62 5.236 -0.742 12.511 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.781 -1.730 15.340 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.016 -2.711 13.907 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.669 -0.999 13.058 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.482 -0.116 14.561 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.632 -3.238 13.176 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.687 -3.612 14.542 1.00 0.00 H new ATOM 969 N LYS A 63 2.854 -1.650 14.661 1.00 0.00 N ATOM 970 CA LYS A 63 1.557 -2.343 14.787 1.00 0.00 C ATOM 971 C LYS A 63 0.537 -1.823 13.781 1.00 0.00 C ATOM 972 O LYS A 63 -0.180 -2.612 13.171 1.00 0.00 O ATOM 973 CB LYS A 63 1.064 -2.144 16.226 1.00 0.00 C ATOM 974 CG LYS A 63 -0.298 -2.738 16.604 1.00 0.00 C ATOM 975 CD LYS A 63 -0.556 -2.324 18.060 1.00 0.00 C ATOM 976 CE LYS A 63 -1.838 -2.921 18.629 1.00 0.00 C ATOM 977 NZ LYS A 63 -2.110 -2.328 19.954 1.00 0.00 N ATOM 0 H LYS A 63 3.137 -1.166 15.513 1.00 0.00 H new ATOM 0 HA LYS A 63 1.683 -3.404 14.570 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.812 -2.566 16.897 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.028 -1.072 16.423 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.083 -2.362 15.947 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.291 -3.823 16.503 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.288 -2.635 18.676 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.610 -1.237 18.119 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.672 -2.729 17.954 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.741 -4.003 18.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.985 -2.735 20.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.317 -2.533 20.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.220 -1.298 19.858 1.00 0.00 H new ATOM 991 N THR A 64 0.490 -0.509 13.575 1.00 0.00 N ATOM 992 CA THR A 64 -0.473 0.133 12.671 1.00 0.00 C ATOM 993 C THR A 64 -0.134 -0.123 11.211 1.00 0.00 C ATOM 994 O THR A 64 -1.017 -0.512 10.444 1.00 0.00 O ATOM 995 CB THR A 64 -0.541 1.644 12.942 1.00 0.00 C ATOM 996 OG1 THR A 64 -0.816 1.881 14.305 1.00 0.00 O ATOM 997 CG2 THR A 64 -1.614 2.354 12.121 1.00 0.00 C ATOM 0 H THR A 64 1.122 0.149 14.032 1.00 0.00 H new ATOM 0 HA THR A 64 -1.450 -0.309 12.868 1.00 0.00 H new ATOM 0 HB THR A 64 0.432 2.043 12.655 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.058 1.580 14.849 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.610 3.418 12.359 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.408 2.219 11.059 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.591 1.933 12.358 1.00 0.00 H new ATOM 1005 N MET A 65 1.142 0.000 10.825 1.00 0.00 N ATOM 1006 CA MET A 65 1.562 -0.343 9.465 1.00 0.00 C ATOM 1007 C MET A 65 1.257 -1.812 9.148 1.00 0.00 C ATOM 1008 O MET A 65 0.630 -2.095 8.126 1.00 0.00 O ATOM 1009 CB MET A 65 3.044 0.009 9.264 1.00 0.00 C ATOM 1010 CG MET A 65 3.499 -0.329 7.839 1.00 0.00 C ATOM 1011 SD MET A 65 5.022 0.489 7.302 1.00 0.00 S ATOM 1012 CE MET A 65 4.432 2.183 7.028 1.00 0.00 C ATOM 0 H MET A 65 1.893 0.331 11.430 1.00 0.00 H new ATOM 0 HA MET A 65 0.987 0.251 8.755 1.00 0.00 H new ATOM 0 HB2 MET A 65 3.199 1.070 9.457 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.653 -0.538 9.984 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.639 -1.407 7.766 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.700 -0.064 7.147 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.248 2.794 6.642 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.615 2.171 6.307 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.079 2.602 7.970 1.00 0.00 H new ATOM 1022 N LYS A 66 1.594 -2.739 10.055 1.00 0.00 N ATOM 1023 CA LYS A 66 1.325 -4.172 9.866 1.00 0.00 C ATOM 1024 C LYS A 66 -0.178 -4.477 9.804 1.00 0.00 C ATOM 1025 O LYS A 66 -0.605 -5.279 8.976 1.00 0.00 O ATOM 1026 CB LYS A 66 2.054 -4.980 10.945 1.00 0.00 C ATOM 1027 CG LYS A 66 2.679 -6.296 10.456 1.00 0.00 C ATOM 1028 CD LYS A 66 1.757 -7.316 9.776 1.00 0.00 C ATOM 1029 CE LYS A 66 0.567 -7.795 10.614 1.00 0.00 C ATOM 1030 NZ LYS A 66 0.975 -8.506 11.849 1.00 0.00 N ATOM 0 H LYS A 66 2.058 -2.519 10.936 1.00 0.00 H new ATOM 0 HA LYS A 66 1.718 -4.477 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.840 -4.359 11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.351 -5.205 11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.478 -6.048 9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.145 -6.784 11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.376 -6.876 8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.352 -8.184 9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.050 -6.937 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.053 -8.456 10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.128 -8.805 12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.540 -9.342 11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.543 -7.870 12.444 1.00 0.00 H new ATOM 1044 N SER A 67 -1.005 -3.820 10.626 1.00 0.00 N ATOM 1045 CA SER A 67 -2.442 -4.069 10.687 1.00 0.00 C ATOM 1046 C SER A 67 -3.200 -3.557 9.456 1.00 0.00 C ATOM 1047 O SER A 67 -4.160 -4.203 9.027 1.00 0.00 O ATOM 1048 CB SER A 67 -2.979 -3.429 11.962 1.00 0.00 C ATOM 1049 OG SER A 67 -2.381 -4.041 13.090 1.00 0.00 O ATOM 0 H SER A 67 -0.689 -3.096 11.271 1.00 0.00 H new ATOM 0 HA SER A 67 -2.603 -5.147 10.696 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.767 -2.360 11.961 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.062 -3.539 12.008 1.00 0.00 H new ATOM 0 HG SER A 67 -1.648 -3.478 13.417 1.00 0.00 H new ATOM 1055 N LYS A 68 -2.743 -2.452 8.844 1.00 0.00 N ATOM 1056 CA LYS A 68 -3.262 -1.972 7.552 1.00 0.00 C ATOM 1057 C LYS A 68 -2.754 -2.808 6.372 1.00 0.00 C ATOM 1058 O LYS A 68 -3.543 -3.116 5.481 1.00 0.00 O ATOM 1059 CB LYS A 68 -2.975 -0.469 7.394 1.00 0.00 C ATOM 1060 CG LYS A 68 -3.827 0.144 6.266 1.00 0.00 C ATOM 1061 CD LYS A 68 -3.639 1.665 6.199 1.00 0.00 C ATOM 1062 CE LYS A 68 -4.500 2.332 5.118 1.00 0.00 C ATOM 1063 NZ LYS A 68 -5.947 2.322 5.437 1.00 0.00 N ATOM 0 H LYS A 68 -2.003 -1.866 9.231 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.344 -2.103 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.185 0.045 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.917 -0.319 7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.549 -0.303 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.879 -0.089 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.884 2.098 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.589 1.887 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.171 3.363 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.340 1.821 4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.475 2.786 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.274 1.340 5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.110 2.833 6.328 1.00 0.00 H new ATOM 1077 N ILE A 69 -1.487 -3.246 6.385 1.00 0.00 N ATOM 1078 CA ILE A 69 -0.954 -4.202 5.394 1.00 0.00 C ATOM 1079 C ILE A 69 -1.789 -5.488 5.387 1.00 0.00 C ATOM 1080 O ILE A 69 -2.239 -5.896 4.319 1.00 0.00 O ATOM 1081 CB ILE A 69 0.558 -4.468 5.620 1.00 0.00 C ATOM 1082 CG1 ILE A 69 1.363 -3.226 5.165 1.00 0.00 C ATOM 1083 CG2 ILE A 69 1.059 -5.716 4.863 1.00 0.00 C ATOM 1084 CD1 ILE A 69 2.855 -3.264 5.525 1.00 0.00 C ATOM 0 H ILE A 69 -0.801 -2.950 7.080 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.038 -3.759 4.402 1.00 0.00 H new ATOM 0 HB ILE A 69 0.706 -4.656 6.683 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.266 -3.123 4.084 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.918 -2.337 5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.123 -5.856 5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.510 -6.593 5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.899 -5.581 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.339 -2.355 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.967 -3.333 6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.320 -4.131 5.056 1.00 0.00 H new ATOM 1096 N ASP A 70 -2.081 -6.084 6.549 1.00 0.00 N ATOM 1097 CA ASP A 70 -2.903 -7.301 6.612 1.00 0.00 C ATOM 1098 C ASP A 70 -4.348 -7.070 6.132 1.00 0.00 C ATOM 1099 O ASP A 70 -4.880 -7.889 5.387 1.00 0.00 O ATOM 1100 CB ASP A 70 -2.894 -7.887 8.029 1.00 0.00 C ATOM 1101 CG ASP A 70 -3.599 -9.245 8.046 1.00 0.00 C ATOM 1102 OD1 ASP A 70 -3.102 -10.193 7.396 1.00 0.00 O ATOM 1103 OD2 ASP A 70 -4.646 -9.398 8.719 1.00 0.00 O ATOM 0 H ASP A 70 -1.762 -5.746 7.457 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.453 -8.019 5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.867 -7.998 8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.391 -7.203 8.716 1.00 0.00 H new ATOM 1108 N ALA A 71 -4.966 -5.937 6.486 1.00 0.00 N ATOM 1109 CA ALA A 71 -6.308 -5.585 6.013 1.00 0.00 C ATOM 1110 C ALA A 71 -6.364 -5.426 4.479 1.00 0.00 C ATOM 1111 O ALA A 71 -7.312 -5.883 3.834 1.00 0.00 O ATOM 1112 CB ALA A 71 -6.755 -4.305 6.729 1.00 0.00 C ATOM 0 H ALA A 71 -4.551 -5.241 7.106 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.993 -6.398 6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.753 -4.028 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.773 -4.477 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.057 -3.499 6.502 1.00 0.00 H new ATOM 1118 N MET A 72 -5.333 -4.835 3.866 1.00 0.00 N ATOM 1119 CA MET A 72 -5.256 -4.687 2.407 1.00 0.00 C ATOM 1120 C MET A 72 -4.859 -5.996 1.702 1.00 0.00 C ATOM 1121 O MET A 72 -5.393 -6.298 0.634 1.00 0.00 O ATOM 1122 CB MET A 72 -4.355 -3.499 2.035 1.00 0.00 C ATOM 1123 CG MET A 72 -4.939 -2.162 2.525 1.00 0.00 C ATOM 1124 SD MET A 72 -6.613 -1.761 1.937 1.00 0.00 S ATOM 1125 CE MET A 72 -6.262 -1.278 0.224 1.00 0.00 C ATOM 0 H MET A 72 -4.531 -4.447 4.364 1.00 0.00 H new ATOM 0 HA MET A 72 -6.256 -4.462 2.037 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.365 -3.644 2.469 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.227 -3.465 0.953 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.950 -2.171 3.615 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.266 -1.361 2.220 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.192 -1.002 -0.274 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.581 -0.427 0.218 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.802 -2.114 -0.303 1.00 0.00 H new ATOM 1135 N ARG A 73 -4.028 -6.838 2.329 1.00 0.00 N ATOM 1136 CA ARG A 73 -3.703 -8.208 1.887 1.00 0.00 C ATOM 1137 C ARG A 73 -4.930 -9.127 1.905 1.00 0.00 C ATOM 1138 O ARG A 73 -5.131 -9.875 0.949 1.00 0.00 O ATOM 1139 CB ARG A 73 -2.541 -8.712 2.753 1.00 0.00 C ATOM 1140 CG ARG A 73 -1.972 -10.065 2.310 1.00 0.00 C ATOM 1141 CD ARG A 73 -0.768 -10.418 3.194 1.00 0.00 C ATOM 1142 NE ARG A 73 0.463 -9.715 2.785 1.00 0.00 N ATOM 1143 CZ ARG A 73 1.492 -9.417 3.561 1.00 0.00 C ATOM 1144 NH1 ARG A 73 1.481 -9.574 4.853 1.00 0.00 N ATOM 1145 NH2 ARG A 73 2.581 -8.934 3.045 1.00 0.00 N ATOM 0 H ARG A 73 -3.544 -6.579 3.189 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.389 -8.208 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.742 -7.971 2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.880 -8.793 3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.736 -10.838 2.389 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.670 -10.021 1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.997 -10.168 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.597 -11.494 3.156 1.00 0.00 H new ATOM 0 HE ARG A 73 0.527 -9.431 1.807 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.650 -9.943 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.303 -9.328 5.404 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.645 -8.783 2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.373 -8.705 3.646 1.00 0.00 H new ATOM 1159 N SER A 74 -5.813 -8.992 2.895 1.00 0.00 N ATOM 1160 CA SER A 74 -7.146 -9.620 2.888 1.00 0.00 C ATOM 1161 C SER A 74 -8.116 -8.953 1.893 1.00 0.00 C ATOM 1162 O SER A 74 -9.004 -9.614 1.351 1.00 0.00 O ATOM 1163 CB SER A 74 -7.742 -9.604 4.299 1.00 0.00 C ATOM 1164 OG SER A 74 -6.915 -10.300 5.215 1.00 0.00 O ATOM 0 H SER A 74 -5.627 -8.441 3.733 1.00 0.00 H new ATOM 0 HA SER A 74 -7.011 -10.649 2.556 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.869 -8.574 4.631 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.733 -10.058 4.283 1.00 0.00 H new ATOM 0 HG SER A 74 -6.139 -9.746 5.442 1.00 0.00 H new ATOM 1170 N THR A 75 -7.930 -7.664 1.575 1.00 0.00 N ATOM 1171 CA THR A 75 -8.735 -6.952 0.560 1.00 0.00 C ATOM 1172 C THR A 75 -8.409 -7.394 -0.874 1.00 0.00 C ATOM 1173 O THR A 75 -9.328 -7.446 -1.689 1.00 0.00 O ATOM 1174 CB THR A 75 -8.647 -5.424 0.720 1.00 0.00 C ATOM 1175 OG1 THR A 75 -9.160 -5.056 1.984 1.00 0.00 O ATOM 1176 CG2 THR A 75 -9.474 -4.645 -0.305 1.00 0.00 C ATOM 0 H THR A 75 -7.217 -7.081 2.013 1.00 0.00 H new ATOM 0 HA THR A 75 -9.771 -7.236 0.742 1.00 0.00 H new ATOM 0 HB THR A 75 -7.593 -5.179 0.588 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.526 -5.318 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.360 -3.576 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.127 -4.884 -1.310 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.525 -4.919 -0.209 1.00 0.00 H new ATOM 1184 N ARG A 76 -7.173 -7.827 -1.186 1.00 0.00 N ATOM 1185 CA ARG A 76 -6.816 -8.453 -2.489 1.00 0.00 C ATOM 1186 C ARG A 76 -7.786 -9.576 -2.864 1.00 0.00 C ATOM 1187 O ARG A 76 -8.352 -9.625 -3.949 1.00 0.00 O ATOM 1188 CB ARG A 76 -5.423 -9.114 -2.417 1.00 0.00 C ATOM 1189 CG ARG A 76 -4.260 -8.187 -2.082 1.00 0.00 C ATOM 1190 CD ARG A 76 -2.906 -8.851 -2.399 1.00 0.00 C ATOM 1191 NE ARG A 76 -2.805 -10.241 -1.900 1.00 0.00 N ATOM 1192 CZ ARG A 76 -2.236 -11.273 -2.506 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -1.563 -11.207 -3.617 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -2.361 -12.458 -1.999 1.00 0.00 N ATOM 0 H ARG A 76 -6.384 -7.755 -0.543 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.847 -7.648 -3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.457 -9.907 -1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.218 -9.589 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.355 -7.261 -2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.298 -7.919 -1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.751 -8.847 -3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.105 -8.256 -1.960 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.220 -10.425 -0.987 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.442 -10.310 -4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.156 -12.052 -4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.894 -12.591 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.926 -13.258 -2.459 1.00 0.00 H new ATOM 1208 N ASP A 77 -8.005 -10.434 -1.881 1.00 0.00 N ATOM 1209 CA ASP A 77 -8.877 -11.612 -1.938 1.00 0.00 C ATOM 1210 C ASP A 77 -10.351 -11.202 -2.073 1.00 0.00 C ATOM 1211 O ASP A 77 -11.118 -11.832 -2.799 1.00 0.00 O ATOM 1212 CB ASP A 77 -8.608 -12.453 -0.683 1.00 0.00 C ATOM 1213 CG ASP A 77 -9.663 -13.525 -0.424 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -9.586 -14.621 -1.030 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -10.515 -13.308 0.473 1.00 0.00 O ATOM 0 H ASP A 77 -7.559 -10.328 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.659 -12.212 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.633 -12.931 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.555 -11.792 0.182 1.00 0.00 H new ATOM 1220 N LYS A 78 -10.740 -10.077 -1.467 1.00 0.00 N ATOM 1221 CA LYS A 78 -12.078 -9.500 -1.613 1.00 0.00 C ATOM 1222 C LYS A 78 -12.342 -9.025 -3.030 1.00 0.00 C ATOM 1223 O LYS A 78 -13.321 -9.437 -3.641 1.00 0.00 O ATOM 1224 CB LYS A 78 -12.241 -8.363 -0.587 1.00 0.00 C ATOM 1225 CG LYS A 78 -13.631 -8.249 0.055 1.00 0.00 C ATOM 1226 CD LYS A 78 -14.764 -8.038 -0.959 1.00 0.00 C ATOM 1227 CE LYS A 78 -16.110 -7.689 -0.306 1.00 0.00 C ATOM 1228 NZ LYS A 78 -16.537 -8.726 0.662 1.00 0.00 N ATOM 0 H LYS A 78 -10.129 -9.536 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.822 -10.272 -1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.504 -8.502 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.007 -7.418 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.832 -9.154 0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.628 -7.419 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.483 -7.239 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.882 -8.943 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.029 -6.728 0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.871 -7.578 -1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.487 -8.498 1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.557 -9.653 0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.867 -8.756 1.457 1.00 0.00 H new ATOM 1242 N ARG A 79 -11.403 -8.272 -3.596 1.00 0.00 N ATOM 1243 CA ARG A 79 -11.428 -7.867 -5.018 1.00 0.00 C ATOM 1244 C ARG A 79 -11.409 -9.067 -5.979 1.00 0.00 C ATOM 1245 O ARG A 79 -11.888 -8.947 -7.111 1.00 0.00 O ATOM 1246 CB ARG A 79 -10.261 -6.904 -5.307 1.00 0.00 C ATOM 1247 CG ARG A 79 -10.271 -5.630 -4.445 1.00 0.00 C ATOM 1248 CD ARG A 79 -11.497 -4.740 -4.702 1.00 0.00 C ATOM 1249 NE ARG A 79 -11.579 -3.634 -3.732 1.00 0.00 N ATOM 1250 CZ ARG A 79 -12.348 -3.548 -2.662 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -13.251 -4.426 -2.339 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -12.247 -2.520 -1.875 1.00 0.00 N ATOM 0 H ARG A 79 -10.594 -7.918 -3.086 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.372 -7.352 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.321 -7.431 -5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.291 -6.619 -6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.247 -5.910 -3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.365 -5.057 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.447 -4.335 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.403 -5.343 -4.644 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.967 -2.837 -3.909 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.400 -5.245 -2.929 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.810 -4.296 -1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.575 -1.782 -2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.840 -2.451 -1.048 1.00 0.00 H new ATOM 1266 N LYS A 80 -10.926 -10.234 -5.528 1.00 0.00 N ATOM 1267 CA LYS A 80 -10.979 -11.496 -6.297 1.00 0.00 C ATOM 1268 C LYS A 80 -12.362 -12.150 -6.208 1.00 0.00 C ATOM 1269 O LYS A 80 -12.928 -12.568 -7.212 1.00 0.00 O ATOM 1270 CB LYS A 80 -9.819 -12.421 -5.882 1.00 0.00 C ATOM 1271 CG LYS A 80 -9.743 -13.676 -6.771 1.00 0.00 C ATOM 1272 CD LYS A 80 -8.480 -14.523 -6.539 1.00 0.00 C ATOM 1273 CE LYS A 80 -7.224 -13.827 -7.083 1.00 0.00 C ATOM 1274 NZ LYS A 80 -6.033 -14.705 -7.024 1.00 0.00 N ATOM 0 H LYS A 80 -10.484 -10.334 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.837 -11.279 -7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.878 -11.874 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.947 -12.720 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.622 -14.294 -6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.779 -13.372 -7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.359 -14.712 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.598 -15.493 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.398 -13.520 -8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.035 -12.920 -6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.208 -14.196 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.851 -14.977 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.203 -15.559 -7.593 1.00 0.00 H new ATOM 1288 N ARG A 81 -12.971 -12.132 -5.025 1.00 0.00 N ATOM 1289 CA ARG A 81 -14.309 -12.687 -4.749 1.00 0.00 C ATOM 1290 C ARG A 81 -15.430 -11.851 -5.366 1.00 0.00 C ATOM 1291 O ARG A 81 -16.372 -12.387 -5.934 1.00 0.00 O ATOM 1292 CB ARG A 81 -14.433 -12.918 -3.233 1.00 0.00 C ATOM 1293 CG ARG A 81 -13.517 -14.082 -2.798 1.00 0.00 C ATOM 1294 CD ARG A 81 -13.103 -14.038 -1.323 1.00 0.00 C ATOM 1295 NE ARG A 81 -14.079 -14.676 -0.425 1.00 0.00 N ATOM 1296 CZ ARG A 81 -13.849 -15.011 0.832 1.00 0.00 C ATOM 1297 NH1 ARG A 81 -12.763 -14.684 1.473 1.00 0.00 N ATOM 1298 NH2 ARG A 81 -14.728 -15.713 1.472 1.00 0.00 N ATOM 0 H ARG A 81 -12.538 -11.718 -4.199 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.426 -13.652 -5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.161 -12.010 -2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.468 -13.143 -2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.029 -15.025 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.619 -14.074 -3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.138 -14.532 -1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.967 -12.999 -1.022 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.005 -14.875 -0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.037 -14.142 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.638 -14.970 2.444 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.588 -16.002 1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.561 -15.977 2.443 1.00 0.00 H new ATOM 1312 N GLU A 82 -15.225 -10.547 -5.422 1.00 0.00 N ATOM 1313 CA GLU A 82 -16.022 -9.602 -6.222 1.00 0.00 C ATOM 1314 C GLU A 82 -15.828 -9.806 -7.738 1.00 0.00 C ATOM 1315 O GLU A 82 -16.764 -9.568 -8.508 1.00 0.00 O ATOM 1316 CB GLU A 82 -15.675 -8.154 -5.840 1.00 0.00 C ATOM 1317 CG GLU A 82 -16.193 -7.782 -4.443 1.00 0.00 C ATOM 1318 CD GLU A 82 -15.841 -6.340 -4.061 1.00 0.00 C ATOM 1319 OE1 GLU A 82 -14.662 -5.934 -4.163 1.00 0.00 O ATOM 1320 OE2 GLU A 82 -16.747 -5.577 -3.647 1.00 0.00 O ATOM 0 H GLU A 82 -14.478 -10.091 -4.899 1.00 0.00 H new ATOM 0 HA GLU A 82 -17.070 -9.799 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.594 -8.021 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.102 -7.474 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.275 -7.911 -4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.770 -8.465 -3.706 1.00 0.00 H new ATOM 1327 N SER A 83 -14.661 -10.308 -8.174 1.00 0.00 N ATOM 1328 CA SER A 83 -14.431 -10.702 -9.579 1.00 0.00 C ATOM 1329 C SER A 83 -15.180 -11.991 -9.940 1.00 0.00 C ATOM 1330 O SER A 83 -15.764 -12.070 -11.019 1.00 0.00 O ATOM 1331 CB SER A 83 -12.942 -10.858 -9.920 1.00 0.00 C ATOM 1332 OG SER A 83 -12.231 -9.641 -9.764 1.00 0.00 O ATOM 0 H SER A 83 -13.853 -10.453 -7.569 1.00 0.00 H new ATOM 0 HA SER A 83 -14.827 -9.882 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.501 -11.620 -9.278 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.840 -11.208 -10.947 1.00 0.00 H new ATOM 0 HG SER A 83 -12.095 -9.462 -8.810 1.00 0.00 H new