USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 577 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 62 LYS NZ :NH3+ -156:sc= 1.4 (180deg=-0.11) USER MOD Set 1.2: A 66 GLN : amide:sc= 0.864 K(o=2.3,f=-1.9) USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0.538 USER MOD Set 2.2: A 57 GLN : amide:sc= 0.261 K(o=0.8,f=-0.11) USER MOD Single : A 8 ASN : amide:sc= 0.55 K(o=0.55,f=-1.3) USER MOD Single : A 9 GLN : amide:sc= 0.688 K(o=0.69,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00691 USER MOD Single : A 15 ASN : amide:sc= 0.732 K(o=0.73,f=-0.24) USER MOD Single : A 20 THR OG1 : rot 120:sc= 1.07 USER MOD Single : A 21 ASN : amide:sc= 0.401 K(o=0.4,f=-4.4!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -88:sc= 1.21 USER MOD Single : A 27 MET CE :methyl -157:sc= 0 (180deg=-0.0564) USER MOD Single : A 30 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.064) USER MOD Single : A 31 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= 1.02 (180deg=0.805) USER MOD Single : A 45 HIS : no HE2:sc= 0.597 K(o=0.6,f=-1.9!) USER MOD Single : A 53 THR OG1 : rot 75:sc= 0.157 USER MOD Single : A 58 SER OG : rot 150:sc= 0.949 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 69 LYS NZ :NH3+ -147:sc= 1.22 (180deg=0.742) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -0.781 K(o=-0.78,f=-1.4) USER MOD Single : A 76 MET CE :methyl 175:sc= -0.206 (180deg=-0.276) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N PRO A 7 12.219 6.112 9.124 1.00 0.00 N ATOM 91 CA PRO A 7 13.312 6.658 8.324 1.00 0.00 C ATOM 92 C PRO A 7 14.637 5.893 8.423 1.00 0.00 C ATOM 93 O PRO A 7 15.027 5.437 9.501 1.00 0.00 O ATOM 94 CB PRO A 7 13.469 8.111 8.779 1.00 0.00 C ATOM 95 CG PRO A 7 12.054 8.494 9.196 1.00 0.00 C ATOM 96 CD PRO A 7 11.514 7.197 9.798 1.00 0.00 C ATOM 0 HA PRO A 7 13.058 6.569 7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.172 8.201 9.607 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.839 8.748 7.976 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.053 9.308 9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.457 8.824 8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.687 7.165 10.874 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.438 7.116 9.646 1.00 0.00 H new ATOM 104 N ASN A 8 15.361 5.825 7.302 1.00 0.00 N ATOM 105 CA ASN A 8 16.708 5.270 7.185 1.00 0.00 C ATOM 106 C ASN A 8 17.443 6.054 6.097 1.00 0.00 C ATOM 107 O ASN A 8 16.813 6.541 5.161 1.00 0.00 O ATOM 108 CB ASN A 8 16.645 3.780 6.812 1.00 0.00 C ATOM 109 CG ASN A 8 18.033 3.220 6.521 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.999 3.509 7.217 1.00 0.00 O ATOM 111 ND2 ASN A 8 18.181 2.478 5.442 1.00 0.00 N ATOM 0 H ASN A 8 15.005 6.172 6.411 1.00 0.00 H new ATOM 0 HA ASN A 8 17.233 5.354 8.137 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.188 3.218 7.627 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.007 3.649 5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 8 19.106 2.139 5.179 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.370 2.243 4.869 1.00 0.00 H new ATOM 118 N GLN A 9 18.769 6.175 6.198 1.00 0.00 N ATOM 119 CA GLN A 9 19.612 6.970 5.301 1.00 0.00 C ATOM 120 C GLN A 9 19.820 6.323 3.918 1.00 0.00 C ATOM 121 O GLN A 9 20.638 6.812 3.138 1.00 0.00 O ATOM 122 CB GLN A 9 20.946 7.287 6.000 1.00 0.00 C ATOM 123 CG GLN A 9 21.887 6.076 6.097 1.00 0.00 C ATOM 124 CD GLN A 9 23.181 6.401 6.834 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.466 5.814 7.876 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.985 7.314 6.312 1.00 0.00 N ATOM 0 H GLN A 9 19.303 5.707 6.930 1.00 0.00 H new ATOM 0 HA GLN A 9 19.087 7.902 5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.450 8.087 5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.742 7.661 7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.375 5.262 6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 9 22.123 5.722 5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.726 7.787 5.446 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.864 7.545 6.776 1.00 0.00 H new ATOM 135 N ILE A 10 19.143 5.216 3.609 1.00 0.00 N ATOM 136 CA ILE A 10 19.246 4.521 2.332 1.00 0.00 C ATOM 137 C ILE A 10 17.809 4.234 1.904 1.00 0.00 C ATOM 138 O ILE A 10 16.948 3.929 2.736 1.00 0.00 O ATOM 139 CB ILE A 10 20.124 3.240 2.425 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.462 3.515 3.153 1.00 0.00 C ATOM 141 CG2 ILE A 10 20.383 2.648 1.024 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.465 2.354 3.157 1.00 0.00 C ATOM 0 H ILE A 10 18.494 4.770 4.257 1.00 0.00 H new ATOM 0 HA ILE A 10 19.756 5.130 1.585 1.00 0.00 H new ATOM 0 HB ILE A 10 19.570 2.509 3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.936 4.380 2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 10 21.244 3.787 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.999 1.753 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.433 2.388 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.901 3.384 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 10 23.366 2.653 3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 10 22.020 1.490 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.723 2.092 2.131 1.00 0.00 H new ATOM 154 N LEU A 11 17.558 4.327 0.604 1.00 0.00 N ATOM 155 CA LEU A 11 16.255 4.206 -0.022 1.00 0.00 C ATOM 156 C LEU A 11 16.365 3.128 -1.091 1.00 0.00 C ATOM 157 O LEU A 11 17.403 3.016 -1.748 1.00 0.00 O ATOM 158 CB LEU A 11 15.853 5.545 -0.670 1.00 0.00 C ATOM 159 CG LEU A 11 15.763 6.748 0.290 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.453 8.026 -0.497 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.707 6.520 1.378 1.00 0.00 C ATOM 0 H LEU A 11 18.300 4.498 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 11 15.497 3.945 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.574 5.781 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.886 5.417 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 11 16.728 6.858 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.391 8.870 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.245 8.207 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.502 7.911 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.670 7.388 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.731 6.375 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.967 5.635 1.958 1.00 0.00 H new ATOM 173 N PHE A 12 15.292 2.371 -1.283 1.00 0.00 N ATOM 174 CA PHE A 12 15.117 1.439 -2.384 1.00 0.00 C ATOM 175 C PHE A 12 14.021 2.032 -3.255 1.00 0.00 C ATOM 176 O PHE A 12 13.031 2.556 -2.741 1.00 0.00 O ATOM 177 CB PHE A 12 14.716 0.053 -1.864 1.00 0.00 C ATOM 178 CG PHE A 12 14.385 -0.933 -2.972 1.00 0.00 C ATOM 179 CD1 PHE A 12 15.368 -1.287 -3.915 1.00 0.00 C ATOM 180 CD2 PHE A 12 13.089 -1.475 -3.093 1.00 0.00 C ATOM 181 CE1 PHE A 12 15.080 -2.199 -4.944 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.806 -2.407 -4.110 1.00 0.00 C ATOM 183 CZ PHE A 12 13.800 -2.767 -5.039 1.00 0.00 C ATOM 0 H PHE A 12 14.491 2.392 -0.651 1.00 0.00 H new ATOM 0 HA PHE A 12 16.041 1.302 -2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.529 -0.350 -1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.852 0.155 -1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.355 -0.853 -3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 12 12.312 -1.175 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.843 -2.463 -5.661 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.822 -2.847 -4.177 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.579 -3.477 -5.822 1.00 0.00 H new ATOM 193 N LEU A 13 14.199 1.978 -4.566 1.00 0.00 N ATOM 194 CA LEU A 13 13.371 2.670 -5.534 1.00 0.00 C ATOM 195 C LEU A 13 12.864 1.663 -6.550 1.00 0.00 C ATOM 196 O LEU A 13 13.572 0.713 -6.892 1.00 0.00 O ATOM 197 CB LEU A 13 14.186 3.763 -6.244 1.00 0.00 C ATOM 198 CG LEU A 13 14.018 5.162 -5.636 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.709 5.299 -4.274 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.608 6.197 -6.592 1.00 0.00 C ATOM 0 H LEU A 13 14.947 1.434 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 13 12.530 3.141 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.241 3.491 -6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.893 3.797 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 13 12.951 5.325 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.559 6.308 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.284 4.578 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.776 5.109 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.492 7.194 -6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.667 5.989 -6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.087 6.148 -7.548 1.00 0.00 H new ATOM 212 N THR A 14 11.660 1.919 -7.049 1.00 0.00 N ATOM 213 CA THR A 14 10.871 1.033 -7.892 1.00 0.00 C ATOM 214 C THR A 14 10.060 1.850 -8.913 1.00 0.00 C ATOM 215 O THR A 14 9.995 3.083 -8.836 1.00 0.00 O ATOM 216 CB THR A 14 9.944 0.187 -6.990 1.00 0.00 C ATOM 217 OG1 THR A 14 9.348 0.975 -5.972 1.00 0.00 O ATOM 218 CG2 THR A 14 10.693 -0.946 -6.285 1.00 0.00 C ATOM 0 H THR A 14 11.183 2.801 -6.865 1.00 0.00 H new ATOM 0 HA THR A 14 11.528 0.368 -8.453 1.00 0.00 H new ATOM 0 HB THR A 14 9.189 -0.222 -7.661 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.767 0.411 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.998 -1.510 -5.664 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.135 -1.609 -7.029 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.481 -0.527 -5.659 1.00 0.00 H new ATOM 226 N ASN A 15 9.412 1.153 -9.861 1.00 0.00 N ATOM 227 CA ASN A 15 8.583 1.704 -10.943 1.00 0.00 C ATOM 228 C ASN A 15 9.301 2.773 -11.785 1.00 0.00 C ATOM 229 O ASN A 15 8.676 3.653 -12.382 1.00 0.00 O ATOM 230 CB ASN A 15 7.232 2.183 -10.385 1.00 0.00 C ATOM 231 CG ASN A 15 6.201 2.406 -11.491 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.884 1.494 -12.249 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.628 3.594 -11.588 1.00 0.00 N ATOM 0 H ASN A 15 9.456 0.134 -9.894 1.00 0.00 H new ATOM 0 HA ASN A 15 8.388 0.896 -11.648 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.851 1.447 -9.677 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.377 3.111 -9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.915 3.760 -12.298 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.899 4.344 -10.953 1.00 0.00 H new ATOM 240 N LEU A 16 10.632 2.716 -11.815 1.00 0.00 N ATOM 241 CA LEU A 16 11.475 3.628 -12.578 1.00 0.00 C ATOM 242 C LEU A 16 11.361 3.289 -14.079 1.00 0.00 C ATOM 243 O LEU A 16 10.808 2.237 -14.419 1.00 0.00 O ATOM 244 CB LEU A 16 12.933 3.528 -12.081 1.00 0.00 C ATOM 245 CG LEU A 16 13.149 3.493 -10.556 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.640 3.305 -10.274 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.639 4.758 -9.863 1.00 0.00 C ATOM 0 H LEU A 16 11.164 2.017 -11.296 1.00 0.00 H new ATOM 0 HA LEU A 16 11.145 4.657 -12.434 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.376 2.628 -12.507 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.487 4.376 -12.483 1.00 0.00 H new ATOM 0 HG LEU A 16 12.574 2.660 -10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.806 3.279 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.979 2.368 -10.716 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.200 4.134 -10.707 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.816 4.681 -8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.167 5.627 -10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.570 4.869 -10.048 1.00 0.00 H new ATOM 259 N PRO A 17 11.852 4.152 -14.987 1.00 0.00 N ATOM 260 CA PRO A 17 11.972 3.848 -16.408 1.00 0.00 C ATOM 261 C PRO A 17 12.646 2.501 -16.703 1.00 0.00 C ATOM 262 O PRO A 17 13.436 1.972 -15.922 1.00 0.00 O ATOM 263 CB PRO A 17 12.759 5.007 -17.020 1.00 0.00 C ATOM 264 CG PRO A 17 12.428 6.176 -16.104 1.00 0.00 C ATOM 265 CD PRO A 17 12.258 5.526 -14.735 1.00 0.00 C ATOM 0 HA PRO A 17 10.978 3.747 -16.844 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.829 4.801 -17.039 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.454 5.202 -18.048 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.226 6.919 -16.098 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.519 6.687 -16.420 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.189 5.559 -14.170 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.508 6.052 -14.145 1.00 0.00 H new ATOM 273 N GLU A 18 12.411 1.987 -17.909 1.00 0.00 N ATOM 274 CA GLU A 18 13.136 0.832 -18.445 1.00 0.00 C ATOM 275 C GLU A 18 14.570 1.206 -18.862 1.00 0.00 C ATOM 276 O GLU A 18 15.317 0.357 -19.349 1.00 0.00 O ATOM 277 CB GLU A 18 12.336 0.219 -19.607 1.00 0.00 C ATOM 278 CG GLU A 18 12.134 1.180 -20.790 1.00 0.00 C ATOM 279 CD GLU A 18 11.363 0.503 -21.938 1.00 0.00 C ATOM 280 OE1 GLU A 18 11.995 -0.117 -22.823 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.114 0.595 -21.979 1.00 0.00 O ATOM 0 H GLU A 18 11.708 2.361 -18.547 1.00 0.00 H new ATOM 0 HA GLU A 18 13.235 0.081 -17.661 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.851 -0.675 -19.960 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.361 -0.099 -19.238 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.589 2.063 -20.455 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.103 1.522 -21.153 1.00 0.00 H new ATOM 288 N GLU A 19 14.956 2.474 -18.678 1.00 0.00 N ATOM 289 CA GLU A 19 16.164 3.083 -19.181 1.00 0.00 C ATOM 290 C GLU A 19 16.848 4.005 -18.152 1.00 0.00 C ATOM 291 O GLU A 19 17.726 4.787 -18.524 1.00 0.00 O ATOM 292 CB GLU A 19 15.807 3.812 -20.490 1.00 0.00 C ATOM 293 CG GLU A 19 14.872 5.022 -20.308 1.00 0.00 C ATOM 294 CD GLU A 19 14.598 5.721 -21.651 1.00 0.00 C ATOM 295 OE1 GLU A 19 15.357 6.642 -22.030 1.00 0.00 O ATOM 296 OE2 GLU A 19 13.614 5.369 -22.340 1.00 0.00 O ATOM 0 H GLU A 19 14.390 3.130 -18.140 1.00 0.00 H new ATOM 0 HA GLU A 19 16.907 2.311 -19.379 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.727 4.148 -20.968 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.335 3.103 -21.170 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.931 4.694 -19.867 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.321 5.730 -19.611 1.00 0.00 H new ATOM 303 N THR A 20 16.443 3.954 -16.877 1.00 0.00 N ATOM 304 CA THR A 20 17.030 4.747 -15.800 1.00 0.00 C ATOM 305 C THR A 20 18.536 4.492 -15.745 1.00 0.00 C ATOM 306 O THR A 20 19.000 3.369 -15.963 1.00 0.00 O ATOM 307 CB THR A 20 16.373 4.414 -14.445 1.00 0.00 C ATOM 308 OG1 THR A 20 15.057 3.951 -14.619 1.00 0.00 O ATOM 309 CG2 THR A 20 16.315 5.646 -13.536 1.00 0.00 C ATOM 0 H THR A 20 15.684 3.348 -16.564 1.00 0.00 H new ATOM 0 HA THR A 20 16.850 5.803 -16.002 1.00 0.00 H new ATOM 0 HB THR A 20 16.988 3.639 -13.986 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.979 3.043 -14.258 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.846 5.378 -12.589 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.326 6.009 -13.351 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.731 6.429 -14.021 1.00 0.00 H new ATOM 317 N ASN A 21 19.296 5.532 -15.407 1.00 0.00 N ATOM 318 CA ASN A 21 20.740 5.475 -15.282 1.00 0.00 C ATOM 319 C ASN A 21 21.124 6.215 -14.004 1.00 0.00 C ATOM 320 O ASN A 21 20.371 7.077 -13.547 1.00 0.00 O ATOM 321 CB ASN A 21 21.393 6.111 -16.522 1.00 0.00 C ATOM 322 CG ASN A 21 22.913 6.109 -16.424 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.513 7.088 -15.996 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.559 5.004 -16.752 1.00 0.00 N ATOM 0 H ASN A 21 18.910 6.455 -15.209 1.00 0.00 H new ATOM 0 HA ASN A 21 21.091 4.445 -15.222 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.086 5.566 -17.415 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.037 7.135 -16.635 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.573 4.957 -16.650 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.044 4.198 -17.107 1.00 0.00 H new ATOM 331 N GLU A 22 22.296 5.905 -13.448 1.00 0.00 N ATOM 332 CA GLU A 22 22.844 6.532 -12.244 1.00 0.00 C ATOM 333 C GLU A 22 22.793 8.061 -12.334 1.00 0.00 C ATOM 334 O GLU A 22 22.471 8.730 -11.350 1.00 0.00 O ATOM 335 CB GLU A 22 24.282 6.016 -12.066 1.00 0.00 C ATOM 336 CG GLU A 22 24.893 6.360 -10.703 1.00 0.00 C ATOM 337 CD GLU A 22 26.370 5.928 -10.636 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.654 4.725 -10.433 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.267 6.788 -10.796 1.00 0.00 O ATOM 0 H GLU A 22 22.909 5.188 -13.835 1.00 0.00 H new ATOM 0 HA GLU A 22 22.244 6.266 -11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.289 4.934 -12.195 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.910 6.435 -12.852 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.816 7.433 -10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.329 5.865 -9.912 1.00 0.00 H new ATOM 346 N MET A 23 23.046 8.611 -13.525 1.00 0.00 N ATOM 347 CA MET A 23 23.032 10.048 -13.785 1.00 0.00 C ATOM 348 C MET A 23 21.661 10.663 -13.496 1.00 0.00 C ATOM 349 O MET A 23 21.586 11.760 -12.945 1.00 0.00 O ATOM 350 CB MET A 23 23.462 10.310 -15.240 1.00 0.00 C ATOM 351 CG MET A 23 23.514 11.801 -15.601 1.00 0.00 C ATOM 352 SD MET A 23 24.655 12.804 -14.605 1.00 0.00 S ATOM 353 CE MET A 23 24.209 14.452 -15.217 1.00 0.00 C ATOM 0 H MET A 23 23.271 8.056 -14.351 1.00 0.00 H new ATOM 0 HA MET A 23 23.740 10.529 -13.110 1.00 0.00 H new ATOM 0 HB2 MET A 23 24.445 9.869 -15.406 1.00 0.00 H new ATOM 0 HB3 MET A 23 22.769 9.805 -15.913 1.00 0.00 H new ATOM 0 HG2 MET A 23 23.796 11.894 -16.650 1.00 0.00 H new ATOM 0 HG3 MET A 23 22.511 12.217 -15.503 1.00 0.00 H new ATOM 0 HE1 MET A 23 24.815 15.204 -14.712 1.00 0.00 H new ATOM 0 HE2 MET A 23 24.389 14.502 -16.291 1.00 0.00 H new ATOM 0 HE3 MET A 23 23.154 14.641 -15.017 1.00 0.00 H new ATOM 363 N MET A 24 20.578 9.962 -13.848 1.00 0.00 N ATOM 364 CA MET A 24 19.219 10.485 -13.708 1.00 0.00 C ATOM 365 C MET A 24 18.915 10.688 -12.232 1.00 0.00 C ATOM 366 O MET A 24 18.540 11.775 -11.792 1.00 0.00 O ATOM 367 CB MET A 24 18.174 9.547 -14.347 1.00 0.00 C ATOM 368 CG MET A 24 18.441 9.329 -15.836 1.00 0.00 C ATOM 369 SD MET A 24 17.152 8.412 -16.722 1.00 0.00 S ATOM 370 CE MET A 24 15.903 9.713 -16.931 1.00 0.00 C ATOM 0 H MET A 24 20.621 9.020 -14.236 1.00 0.00 H new ATOM 0 HA MET A 24 19.160 11.437 -14.235 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.185 8.587 -13.832 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.178 9.969 -14.214 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.567 10.301 -16.313 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.385 8.796 -15.946 1.00 0.00 H new ATOM 0 HE1 MET A 24 15.041 9.308 -17.462 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.589 10.076 -15.953 1.00 0.00 H new ATOM 0 HE3 MET A 24 16.328 10.537 -17.505 1.00 0.00 H new ATOM 380 N LEU A 25 19.108 9.631 -11.449 1.00 0.00 N ATOM 381 CA LEU A 25 18.719 9.679 -10.052 1.00 0.00 C ATOM 382 C LEU A 25 19.672 10.566 -9.268 1.00 0.00 C ATOM 383 O LEU A 25 19.217 11.262 -8.364 1.00 0.00 O ATOM 384 CB LEU A 25 18.676 8.281 -9.435 1.00 0.00 C ATOM 385 CG LEU A 25 17.683 7.317 -10.102 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.562 6.079 -9.214 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.314 7.968 -10.338 1.00 0.00 C ATOM 0 H LEU A 25 19.523 8.750 -11.753 1.00 0.00 H new ATOM 0 HA LEU A 25 17.715 10.100 -10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.674 7.845 -9.485 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.420 8.372 -8.379 1.00 0.00 H new ATOM 0 HG LEU A 25 18.055 7.040 -11.088 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.862 5.375 -9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.539 5.605 -9.115 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.199 6.372 -8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.646 7.249 -10.811 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.891 8.283 -9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.431 8.836 -10.987 1.00 0.00 H new ATOM 399 N SER A 26 20.966 10.581 -9.602 1.00 0.00 N ATOM 400 CA SER A 26 21.901 11.439 -8.892 1.00 0.00 C ATOM 401 C SER A 26 21.537 12.900 -9.136 1.00 0.00 C ATOM 402 O SER A 26 21.391 13.647 -8.170 1.00 0.00 O ATOM 403 CB SER A 26 23.360 11.110 -9.233 1.00 0.00 C ATOM 404 OG SER A 26 23.589 11.017 -10.620 1.00 0.00 O ATOM 0 H SER A 26 21.378 10.018 -10.346 1.00 0.00 H new ATOM 0 HA SER A 26 21.816 11.251 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 26 24.009 11.879 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.635 10.167 -8.760 1.00 0.00 H new ATOM 0 HG SER A 26 23.420 10.099 -10.919 1.00 0.00 H new ATOM 410 N MET A 27 21.297 13.307 -10.389 1.00 0.00 N ATOM 411 CA MET A 27 20.916 14.690 -10.661 1.00 0.00 C ATOM 412 C MET A 27 19.564 15.035 -10.022 1.00 0.00 C ATOM 413 O MET A 27 19.379 16.184 -9.618 1.00 0.00 O ATOM 414 CB MET A 27 20.987 15.041 -12.160 1.00 0.00 C ATOM 415 CG MET A 27 19.814 14.544 -13.013 1.00 0.00 C ATOM 416 SD MET A 27 19.918 15.021 -14.761 1.00 0.00 S ATOM 417 CE MET A 27 18.327 14.373 -15.341 1.00 0.00 C ATOM 0 H MET A 27 21.359 12.709 -11.213 1.00 0.00 H new ATOM 0 HA MET A 27 21.658 15.329 -10.183 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.051 16.125 -12.258 1.00 0.00 H new ATOM 0 HB3 MET A 27 21.910 14.629 -12.568 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.764 13.457 -12.946 1.00 0.00 H new ATOM 0 HG3 MET A 27 18.885 14.932 -12.596 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.375 14.200 -16.416 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.109 13.434 -14.831 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.539 15.095 -15.125 1.00 0.00 H new ATOM 427 N LEU A 28 18.634 14.072 -9.892 1.00 0.00 N ATOM 428 CA LEU A 28 17.361 14.327 -9.221 1.00 0.00 C ATOM 429 C LEU A 28 17.553 14.513 -7.720 1.00 0.00 C ATOM 430 O LEU A 28 17.172 15.553 -7.189 1.00 0.00 O ATOM 431 CB LEU A 28 16.334 13.215 -9.504 1.00 0.00 C ATOM 432 CG LEU A 28 15.752 13.269 -10.930 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.899 12.023 -11.195 1.00 0.00 C ATOM 434 CD2 LEU A 28 14.903 14.523 -11.175 1.00 0.00 C ATOM 0 H LEU A 28 18.745 13.120 -10.242 1.00 0.00 H new ATOM 0 HA LEU A 28 16.965 15.256 -9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.807 12.245 -9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.519 13.291 -8.784 1.00 0.00 H new ATOM 0 HG LEU A 28 16.599 13.304 -11.615 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.491 12.069 -12.205 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.517 11.131 -11.093 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.081 11.982 -10.475 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.519 14.509 -12.195 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.069 14.541 -10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.517 15.412 -11.031 1.00 0.00 H new ATOM 446 N PHE A 29 18.120 13.531 -7.024 1.00 0.00 N ATOM 447 CA PHE A 29 18.166 13.557 -5.563 1.00 0.00 C ATOM 448 C PHE A 29 19.234 14.515 -5.016 1.00 0.00 C ATOM 449 O PHE A 29 19.083 15.012 -3.901 1.00 0.00 O ATOM 450 CB PHE A 29 18.400 12.145 -5.012 1.00 0.00 C ATOM 451 CG PHE A 29 17.174 11.252 -4.976 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.730 10.585 -6.132 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.487 11.062 -3.761 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.612 9.739 -6.070 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.367 10.218 -3.697 1.00 0.00 C ATOM 456 CZ PHE A 29 14.930 9.556 -4.854 1.00 0.00 C ATOM 0 H PHE A 29 18.553 12.709 -7.446 1.00 0.00 H new ATOM 0 HA PHE A 29 17.198 13.930 -5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.166 11.659 -5.617 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.798 12.229 -4.001 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.250 10.724 -7.068 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.825 11.570 -2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.274 9.227 -6.959 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.845 10.079 -2.762 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.069 8.905 -4.811 1.00 0.00 H new ATOM 466 N ASN A 30 20.302 14.819 -5.758 1.00 0.00 N ATOM 467 CA ASN A 30 21.392 15.664 -5.257 1.00 0.00 C ATOM 468 C ASN A 30 20.956 17.109 -4.973 1.00 0.00 C ATOM 469 O ASN A 30 21.691 17.858 -4.329 1.00 0.00 O ATOM 470 CB ASN A 30 22.576 15.634 -6.223 1.00 0.00 C ATOM 471 CG ASN A 30 23.773 16.448 -5.732 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.321 16.192 -4.665 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.220 17.427 -6.503 1.00 0.00 N ATOM 0 H ASN A 30 20.436 14.491 -6.714 1.00 0.00 H new ATOM 0 HA ASN A 30 21.698 15.244 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 30 22.886 14.600 -6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.256 16.018 -7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.028 17.977 -6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.756 17.631 -7.388 1.00 0.00 H new ATOM 480 N GLN A 31 19.762 17.517 -5.422 1.00 0.00 N ATOM 481 CA GLN A 31 19.184 18.806 -5.061 1.00 0.00 C ATOM 482 C GLN A 31 19.062 18.965 -3.536 1.00 0.00 C ATOM 483 O GLN A 31 19.124 20.090 -3.034 1.00 0.00 O ATOM 484 CB GLN A 31 17.828 19.006 -5.764 1.00 0.00 C ATOM 485 CG GLN A 31 16.699 18.133 -5.194 1.00 0.00 C ATOM 486 CD GLN A 31 15.393 18.317 -5.971 1.00 0.00 C ATOM 487 OE1 GLN A 31 14.638 19.259 -5.740 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.102 17.438 -6.914 1.00 0.00 N ATOM 0 H GLN A 31 19.175 16.960 -6.044 1.00 0.00 H new ATOM 0 HA GLN A 31 19.860 19.588 -5.406 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.539 20.054 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.944 18.787 -6.825 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.997 17.085 -5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.538 18.386 -4.146 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.735 16.660 -7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.245 17.538 -7.457 1.00 0.00 H new ATOM 497 N PHE A 32 18.876 17.861 -2.798 1.00 0.00 N ATOM 498 CA PHE A 32 18.731 17.893 -1.348 1.00 0.00 C ATOM 499 C PHE A 32 20.136 17.877 -0.728 1.00 0.00 C ATOM 500 O PHE A 32 20.958 17.056 -1.150 1.00 0.00 O ATOM 501 CB PHE A 32 17.894 16.693 -0.877 1.00 0.00 C ATOM 502 CG PHE A 32 16.587 16.516 -1.636 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.581 17.503 -1.590 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.405 15.388 -2.457 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.429 17.373 -2.390 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.260 15.258 -3.254 1.00 0.00 C ATOM 507 CZ PHE A 32 14.280 16.260 -3.236 1.00 0.00 C ATOM 0 H PHE A 32 18.823 16.924 -3.196 1.00 0.00 H new ATOM 0 HA PHE A 32 18.209 18.796 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.488 15.785 -0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.673 16.811 0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.694 18.359 -0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.157 14.613 -2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.659 18.129 -2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.133 14.388 -3.881 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.411 16.177 -3.872 1.00 0.00 H new ATOM 517 N PRO A 33 20.433 18.718 0.282 1.00 0.00 N ATOM 518 CA PRO A 33 21.774 18.899 0.851 1.00 0.00 C ATOM 519 C PRO A 33 22.217 17.734 1.766 1.00 0.00 C ATOM 520 O PRO A 33 22.907 17.939 2.768 1.00 0.00 O ATOM 521 CB PRO A 33 21.712 20.262 1.560 1.00 0.00 C ATOM 522 CG PRO A 33 20.262 20.347 2.027 1.00 0.00 C ATOM 523 CD PRO A 33 19.507 19.669 0.886 1.00 0.00 C ATOM 0 HA PRO A 33 22.546 18.888 0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.408 20.312 2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 33 21.966 21.079 0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.111 19.833 2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 33 19.941 21.379 2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.617 19.161 1.258 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.172 20.403 0.153 1.00 0.00 H new ATOM 531 N GLY A 34 21.825 16.503 1.431 1.00 0.00 N ATOM 532 CA GLY A 34 22.149 15.293 2.170 1.00 0.00 C ATOM 533 C GLY A 34 22.399 14.084 1.280 1.00 0.00 C ATOM 534 O GLY A 34 22.806 13.054 1.813 1.00 0.00 O ATOM 0 H GLY A 34 21.253 16.321 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.035 15.475 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.332 15.066 2.856 1.00 0.00 H new ATOM 538 N PHE A 35 22.171 14.167 -0.035 1.00 0.00 N ATOM 539 CA PHE A 35 22.475 13.100 -0.968 1.00 0.00 C ATOM 540 C PHE A 35 23.951 12.712 -0.867 1.00 0.00 C ATOM 541 O PHE A 35 24.814 13.555 -0.599 1.00 0.00 O ATOM 542 CB PHE A 35 22.151 13.629 -2.366 1.00 0.00 C ATOM 543 CG PHE A 35 22.593 12.748 -3.515 1.00 0.00 C ATOM 544 CD1 PHE A 35 23.881 12.898 -4.068 1.00 0.00 C ATOM 545 CD2 PHE A 35 21.719 11.782 -4.039 1.00 0.00 C ATOM 546 CE1 PHE A 35 24.290 12.079 -5.132 1.00 0.00 C ATOM 547 CE2 PHE A 35 22.118 10.983 -5.119 1.00 0.00 C ATOM 548 CZ PHE A 35 23.405 11.127 -5.656 1.00 0.00 C ATOM 0 H PHE A 35 21.765 14.991 -0.477 1.00 0.00 H new ATOM 0 HA PHE A 35 21.889 12.207 -0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.074 13.777 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.616 14.608 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 35 24.554 13.644 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.737 11.654 -3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 35 25.283 12.182 -5.545 1.00 0.00 H new ATOM 0 HE2 PHE A 35 21.435 10.258 -5.537 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.716 10.500 -6.479 1.00 0.00 H new ATOM 558 N LYS A 36 24.237 11.447 -1.171 1.00 0.00 N ATOM 559 CA LYS A 36 25.600 10.944 -1.313 1.00 0.00 C ATOM 560 C LYS A 36 25.770 10.087 -2.560 1.00 0.00 C ATOM 561 O LYS A 36 26.740 10.316 -3.285 1.00 0.00 O ATOM 562 CB LYS A 36 26.032 10.107 -0.098 1.00 0.00 C ATOM 563 CG LYS A 36 26.048 10.849 1.249 1.00 0.00 C ATOM 564 CD LYS A 36 26.794 10.060 2.345 1.00 0.00 C ATOM 565 CE LYS A 36 26.345 8.590 2.415 1.00 0.00 C ATOM 566 NZ LYS A 36 27.150 7.752 3.336 1.00 0.00 N ATOM 0 H LYS A 36 23.522 10.737 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 36 26.229 11.831 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 36 25.363 9.251 -0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 36 27.031 9.713 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 36 26.522 11.822 1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 36 25.023 11.034 1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 36 27.866 10.101 2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.625 10.536 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 36 25.302 8.555 2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 36 26.392 8.159 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 27.001 6.748 3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.157 7.986 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 26.856 7.934 4.317 1.00 0.00 H new ATOM 580 N GLU A 37 24.894 9.107 -2.821 1.00 0.00 N ATOM 581 CA GLU A 37 25.171 8.127 -3.877 1.00 0.00 C ATOM 582 C GLU A 37 23.897 7.478 -4.433 1.00 0.00 C ATOM 583 O GLU A 37 22.838 7.531 -3.809 1.00 0.00 O ATOM 584 CB GLU A 37 26.141 7.077 -3.275 1.00 0.00 C ATOM 585 CG GLU A 37 26.737 6.033 -4.230 1.00 0.00 C ATOM 586 CD GLU A 37 27.471 6.667 -5.425 1.00 0.00 C ATOM 587 OE1 GLU A 37 26.796 7.175 -6.347 1.00 0.00 O ATOM 588 OE2 GLU A 37 28.723 6.658 -5.447 1.00 0.00 O ATOM 0 H GLU A 37 24.010 8.974 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 37 25.624 8.624 -4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.966 7.612 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.613 6.546 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.431 5.398 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 37 25.939 5.389 -4.600 1.00 0.00 H new ATOM 595 N VAL A 38 24.025 6.820 -5.588 1.00 0.00 N ATOM 596 CA VAL A 38 23.019 5.986 -6.247 1.00 0.00 C ATOM 597 C VAL A 38 23.663 4.635 -6.584 1.00 0.00 C ATOM 598 O VAL A 38 24.856 4.563 -6.891 1.00 0.00 O ATOM 599 CB VAL A 38 22.519 6.690 -7.530 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.576 5.831 -8.391 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.789 7.991 -7.194 1.00 0.00 C ATOM 0 H VAL A 38 24.893 6.859 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 38 22.162 5.828 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 38 23.423 6.882 -8.108 1.00 0.00 H new ATOM 0 HG11 VAL A 38 21.271 6.397 -9.271 1.00 0.00 H new ATOM 0 HG12 VAL A 38 22.094 4.924 -8.704 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.695 5.563 -7.808 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.448 8.465 -8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.931 7.773 -6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.467 8.664 -6.669 1.00 0.00 H new ATOM 611 N ARG A 39 22.859 3.568 -6.590 1.00 0.00 N ATOM 612 CA ARG A 39 23.231 2.245 -7.084 1.00 0.00 C ATOM 613 C ARG A 39 22.067 1.768 -7.951 1.00 0.00 C ATOM 614 O ARG A 39 21.045 1.313 -7.436 1.00 0.00 O ATOM 615 CB ARG A 39 23.554 1.281 -5.924 1.00 0.00 C ATOM 616 CG ARG A 39 24.719 1.766 -5.044 1.00 0.00 C ATOM 617 CD ARG A 39 25.015 0.779 -3.908 1.00 0.00 C ATOM 618 NE ARG A 39 26.063 1.295 -3.008 1.00 0.00 N ATOM 619 CZ ARG A 39 25.879 2.115 -1.963 1.00 0.00 C ATOM 620 NH1 ARG A 39 24.674 2.551 -1.613 1.00 0.00 N ATOM 621 NH2 ARG A 39 26.903 2.527 -1.229 1.00 0.00 N ATOM 0 H ARG A 39 21.902 3.605 -6.240 1.00 0.00 H new ATOM 0 HA ARG A 39 24.145 2.280 -7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.666 1.157 -5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 39 23.798 0.300 -6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 39 25.611 1.894 -5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.477 2.743 -4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 39 24.104 0.592 -3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.331 -0.177 -4.327 1.00 0.00 H new ATOM 0 HE ARG A 39 27.020 1.000 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 39 23.853 2.263 -2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 39 24.570 3.174 -0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 39 27.849 2.220 -1.456 1.00 0.00 H new ATOM 0 HH22 ARG A 39 26.745 3.151 -0.438 1.00 0.00 H new ATOM 635 N LEU A 40 22.177 1.970 -9.266 1.00 0.00 N ATOM 636 CA LEU A 40 21.240 1.447 -10.254 1.00 0.00 C ATOM 637 C LEU A 40 21.362 -0.081 -10.285 1.00 0.00 C ATOM 638 O LEU A 40 22.311 -0.657 -9.749 1.00 0.00 O ATOM 639 CB LEU A 40 21.571 2.062 -11.640 1.00 0.00 C ATOM 640 CG LEU A 40 20.404 2.728 -12.395 1.00 0.00 C ATOM 641 CD1 LEU A 40 19.255 1.759 -12.682 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.876 3.971 -11.670 1.00 0.00 C ATOM 0 H LEU A 40 22.936 2.513 -9.678 1.00 0.00 H new ATOM 0 HA LEU A 40 20.215 1.712 -9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 40 22.357 2.805 -11.504 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.982 1.275 -12.273 1.00 0.00 H new ATOM 0 HG LEU A 40 20.821 3.042 -13.352 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.462 2.283 -13.215 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.619 0.933 -13.293 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.864 1.369 -11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.055 4.404 -12.241 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.520 3.690 -10.679 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.677 4.704 -11.574 1.00 0.00 H new ATOM 654 N VAL A 41 20.443 -0.726 -10.997 1.00 0.00 N ATOM 655 CA VAL A 41 20.505 -2.142 -11.323 1.00 0.00 C ATOM 656 C VAL A 41 20.537 -2.191 -12.851 1.00 0.00 C ATOM 657 O VAL A 41 19.471 -2.257 -13.465 1.00 0.00 O ATOM 658 CB VAL A 41 19.356 -2.918 -10.639 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.476 -4.424 -10.910 1.00 0.00 C ATOM 660 CG2 VAL A 41 19.376 -2.705 -9.113 1.00 0.00 C ATOM 0 H VAL A 41 19.614 -0.264 -11.372 1.00 0.00 H new ATOM 0 HA VAL A 41 21.389 -2.650 -10.938 1.00 0.00 H new ATOM 0 HB VAL A 41 18.423 -2.537 -11.054 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.657 -4.949 -10.419 1.00 0.00 H new ATOM 0 HG12 VAL A 41 19.431 -4.605 -11.984 1.00 0.00 H new ATOM 0 HG13 VAL A 41 20.426 -4.789 -10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.557 -3.262 -8.657 1.00 0.00 H new ATOM 0 HG22 VAL A 41 20.325 -3.058 -8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 41 19.260 -1.644 -8.892 1.00 0.00 H new ATOM 722 N HIS A 45 16.891 -1.662 -14.562 1.00 0.00 N ATOM 723 CA HIS A 45 16.650 -0.215 -14.584 1.00 0.00 C ATOM 724 C HIS A 45 15.369 0.269 -13.886 1.00 0.00 C ATOM 725 O HIS A 45 15.339 1.425 -13.467 1.00 0.00 O ATOM 726 CB HIS A 45 16.673 0.356 -16.011 1.00 0.00 C ATOM 727 CG HIS A 45 17.859 -0.015 -16.864 1.00 0.00 C ATOM 728 ND1 HIS A 45 17.806 -0.418 -18.178 1.00 0.00 N ATOM 729 CD2 HIS A 45 19.180 0.061 -16.518 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.063 -0.606 -18.608 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.944 -0.332 -17.626 1.00 0.00 N ATOM 0 HA HIS A 45 17.485 0.168 -13.998 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.768 0.030 -16.524 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.627 1.443 -15.944 1.00 0.00 H new ATOM 0 HD1 HIS A 45 16.958 -0.551 -18.730 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.567 0.370 -15.558 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.331 -0.931 -19.602 1.00 0.00 H new ATOM 739 N ASP A 46 14.332 -0.562 -13.734 1.00 0.00 N ATOM 740 CA ASP A 46 13.040 -0.168 -13.165 1.00 0.00 C ATOM 741 C ASP A 46 13.090 -0.106 -11.637 1.00 0.00 C ATOM 742 O ASP A 46 12.116 0.302 -11.001 1.00 0.00 O ATOM 743 CB ASP A 46 11.909 -1.089 -13.644 1.00 0.00 C ATOM 744 CG ASP A 46 11.852 -2.413 -12.878 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.836 -3.178 -12.926 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.820 -2.731 -12.249 1.00 0.00 O ATOM 0 H ASP A 46 14.368 -1.544 -14.008 1.00 0.00 H new ATOM 0 HA ASP A 46 12.825 0.837 -13.527 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.956 -0.571 -13.536 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.041 -1.295 -14.706 1.00 0.00 H new ATOM 751 N ILE A 47 14.230 -0.475 -11.053 1.00 0.00 N ATOM 752 CA ILE A 47 14.546 -0.432 -9.639 1.00 0.00 C ATOM 753 C ILE A 47 15.933 0.194 -9.447 1.00 0.00 C ATOM 754 O ILE A 47 16.755 0.186 -10.372 1.00 0.00 O ATOM 755 CB ILE A 47 14.517 -1.866 -9.077 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.673 -2.673 -9.721 1.00 0.00 C ATOM 757 CG2 ILE A 47 13.130 -2.499 -9.289 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.598 -4.171 -9.532 1.00 0.00 C ATOM 0 H ILE A 47 15.009 -0.837 -11.603 1.00 0.00 H new ATOM 0 HA ILE A 47 13.813 0.174 -9.106 1.00 0.00 H new ATOM 0 HB ILE A 47 14.677 -1.865 -7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.693 -2.459 -10.790 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.617 -2.318 -9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 47 13.127 -3.512 -8.886 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.376 -1.902 -8.776 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.904 -2.532 -10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.451 -4.642 -10.019 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.613 -4.405 -8.467 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.675 -4.548 -9.973 1.00 0.00 H new ATOM 770 N ALA A 48 16.214 0.682 -8.240 1.00 0.00 N ATOM 771 CA ALA A 48 17.505 1.254 -7.858 1.00 0.00 C ATOM 772 C ALA A 48 17.597 1.384 -6.337 1.00 0.00 C ATOM 773 O ALA A 48 16.636 1.092 -5.627 1.00 0.00 O ATOM 774 CB ALA A 48 17.669 2.645 -8.496 1.00 0.00 C ATOM 0 H ALA A 48 15.533 0.691 -7.481 1.00 0.00 H new ATOM 0 HA ALA A 48 18.297 0.593 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.632 3.066 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.622 2.555 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.869 3.300 -8.151 1.00 0.00 H new ATOM 780 N PHE A 49 18.729 1.885 -5.848 1.00 0.00 N ATOM 781 CA PHE A 49 18.930 2.293 -4.469 1.00 0.00 C ATOM 782 C PHE A 49 19.586 3.675 -4.487 1.00 0.00 C ATOM 783 O PHE A 49 20.291 4.018 -5.441 1.00 0.00 O ATOM 784 CB PHE A 49 19.821 1.298 -3.707 1.00 0.00 C ATOM 785 CG PHE A 49 19.239 -0.084 -3.469 1.00 0.00 C ATOM 786 CD1 PHE A 49 19.299 -1.064 -4.480 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.690 -0.408 -2.213 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.806 -2.360 -4.239 1.00 0.00 C ATOM 789 CE2 PHE A 49 18.213 -1.709 -1.967 1.00 0.00 C ATOM 790 CZ PHE A 49 18.272 -2.685 -2.980 1.00 0.00 C ATOM 0 H PHE A 49 19.558 2.021 -6.426 1.00 0.00 H new ATOM 0 HA PHE A 49 17.969 2.320 -3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.755 1.185 -4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 49 20.071 1.735 -2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.724 -0.820 -5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.635 0.342 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.838 -3.104 -5.021 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.801 -1.959 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.907 -3.683 -2.790 1.00 0.00 H new ATOM 800 N VAL A 50 19.384 4.457 -3.430 1.00 0.00 N ATOM 801 CA VAL A 50 19.939 5.798 -3.257 1.00 0.00 C ATOM 802 C VAL A 50 20.373 5.905 -1.789 1.00 0.00 C ATOM 803 O VAL A 50 19.740 5.304 -0.920 1.00 0.00 O ATOM 804 CB VAL A 50 18.884 6.860 -3.664 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.466 8.280 -3.645 1.00 0.00 C ATOM 806 CG2 VAL A 50 18.290 6.613 -5.062 1.00 0.00 C ATOM 0 H VAL A 50 18.808 4.164 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 50 20.802 5.979 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 50 18.093 6.766 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.695 8.993 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.818 8.516 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.299 8.341 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.559 7.389 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.087 6.637 -5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.803 5.638 -5.083 1.00 0.00 H new ATOM 816 N GLU A 51 21.443 6.644 -1.495 1.00 0.00 N ATOM 817 CA GLU A 51 22.056 6.729 -0.173 1.00 0.00 C ATOM 818 C GLU A 51 22.346 8.194 0.161 1.00 0.00 C ATOM 819 O GLU A 51 22.734 8.984 -0.711 1.00 0.00 O ATOM 820 CB GLU A 51 23.320 5.851 -0.140 1.00 0.00 C ATOM 821 CG GLU A 51 24.131 6.034 1.154 1.00 0.00 C ATOM 822 CD GLU A 51 25.345 5.099 1.297 1.00 0.00 C ATOM 823 OE1 GLU A 51 25.455 4.098 0.552 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.201 5.384 2.168 1.00 0.00 O ATOM 0 H GLU A 51 21.920 7.216 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 51 21.378 6.351 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.034 4.804 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.949 6.093 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.478 7.066 1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.469 5.878 2.006 1.00 0.00 H new ATOM 831 N PHE A 52 22.154 8.524 1.440 1.00 0.00 N ATOM 832 CA PHE A 52 22.148 9.857 2.019 1.00 0.00 C ATOM 833 C PHE A 52 22.998 9.894 3.293 1.00 0.00 C ATOM 834 O PHE A 52 23.356 8.865 3.876 1.00 0.00 O ATOM 835 CB PHE A 52 20.696 10.247 2.357 1.00 0.00 C ATOM 836 CG PHE A 52 19.963 10.980 1.252 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.637 10.332 0.046 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.619 12.332 1.431 1.00 0.00 C ATOM 839 CE1 PHE A 52 19.018 11.050 -0.991 1.00 0.00 C ATOM 840 CE2 PHE A 52 18.984 13.045 0.401 1.00 0.00 C ATOM 841 CZ PHE A 52 18.705 12.408 -0.818 1.00 0.00 C ATOM 0 H PHE A 52 21.987 7.807 2.146 1.00 0.00 H new ATOM 0 HA PHE A 52 22.570 10.561 1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.140 9.343 2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.701 10.874 3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.862 9.284 -0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.844 12.824 2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.783 10.557 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.711 14.080 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.249 12.963 -1.624 1.00 0.00 H new ATOM 851 N THR A 53 23.294 11.111 3.732 1.00 0.00 N ATOM 852 CA THR A 53 24.019 11.427 4.950 1.00 0.00 C ATOM 853 C THR A 53 23.189 11.064 6.181 1.00 0.00 C ATOM 854 O THR A 53 23.708 10.433 7.105 1.00 0.00 O ATOM 855 CB THR A 53 24.324 12.937 4.932 1.00 0.00 C ATOM 856 OG1 THR A 53 25.156 13.250 3.829 1.00 0.00 O ATOM 857 CG2 THR A 53 24.985 13.417 6.227 1.00 0.00 C ATOM 0 H THR A 53 23.018 11.948 3.218 1.00 0.00 H new ATOM 0 HA THR A 53 24.944 10.852 4.999 1.00 0.00 H new ATOM 0 HB THR A 53 23.369 13.455 4.840 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.626 13.237 3.005 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.178 14.488 6.162 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.322 13.219 7.069 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.926 12.887 6.374 1.00 0.00 H new ATOM 865 N THR A 54 21.910 11.439 6.190 1.00 0.00 N ATOM 866 CA THR A 54 21.073 11.366 7.373 1.00 0.00 C ATOM 867 C THR A 54 19.673 10.899 7.004 1.00 0.00 C ATOM 868 O THR A 54 19.141 11.226 5.942 1.00 0.00 O ATOM 869 CB THR A 54 21.048 12.739 8.085 1.00 0.00 C ATOM 870 OG1 THR A 54 21.365 13.823 7.219 1.00 0.00 O ATOM 871 CG2 THR A 54 22.049 12.765 9.238 1.00 0.00 C ATOM 0 H THR A 54 21.429 11.803 5.368 1.00 0.00 H new ATOM 0 HA THR A 54 21.490 10.635 8.066 1.00 0.00 H new ATOM 0 HB THR A 54 20.026 12.863 8.443 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.332 14.664 7.722 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.016 13.739 9.726 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.793 11.989 9.959 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.053 12.586 8.853 1.00 0.00 H new ATOM 879 N GLU A 55 19.088 10.148 7.935 1.00 0.00 N ATOM 880 CA GLU A 55 17.782 9.499 7.809 1.00 0.00 C ATOM 881 C GLU A 55 16.669 10.528 7.579 1.00 0.00 C ATOM 882 O GLU A 55 15.701 10.268 6.866 1.00 0.00 O ATOM 883 CB GLU A 55 17.476 8.682 9.081 1.00 0.00 C ATOM 884 CG GLU A 55 18.611 7.736 9.514 1.00 0.00 C ATOM 885 CD GLU A 55 18.245 6.882 10.743 1.00 0.00 C ATOM 886 OE1 GLU A 55 17.881 7.440 11.803 1.00 0.00 O ATOM 887 OE2 GLU A 55 18.377 5.639 10.673 1.00 0.00 O ATOM 0 H GLU A 55 19.529 9.967 8.837 1.00 0.00 H new ATOM 0 HA GLU A 55 17.819 8.835 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.261 9.371 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.573 8.095 8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.865 7.078 8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.501 8.324 9.739 1.00 0.00 H new ATOM 894 N LEU A 56 16.806 11.715 8.178 1.00 0.00 N ATOM 895 CA LEU A 56 15.844 12.799 8.011 1.00 0.00 C ATOM 896 C LEU A 56 15.905 13.356 6.589 1.00 0.00 C ATOM 897 O LEU A 56 14.873 13.760 6.052 1.00 0.00 O ATOM 898 CB LEU A 56 16.117 13.930 9.021 1.00 0.00 C ATOM 899 CG LEU A 56 15.494 13.764 10.424 1.00 0.00 C ATOM 900 CD1 LEU A 56 13.959 13.749 10.381 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.996 12.518 11.163 1.00 0.00 C ATOM 0 H LEU A 56 17.588 11.947 8.791 1.00 0.00 H new ATOM 0 HA LEU A 56 14.848 12.395 8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.196 14.032 9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.753 14.864 8.594 1.00 0.00 H new ATOM 0 HG LEU A 56 15.823 14.641 10.982 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.568 13.630 11.391 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.598 14.687 9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.620 12.919 9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.520 12.459 12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.748 11.628 10.585 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.077 12.580 11.288 1.00 0.00 H new ATOM 913 N GLN A 57 17.090 13.388 5.970 1.00 0.00 N ATOM 914 CA GLN A 57 17.243 13.977 4.647 1.00 0.00 C ATOM 915 C GLN A 57 16.800 12.994 3.564 1.00 0.00 C ATOM 916 O GLN A 57 16.127 13.421 2.625 1.00 0.00 O ATOM 917 CB GLN A 57 18.675 14.485 4.435 1.00 0.00 C ATOM 918 CG GLN A 57 19.007 15.600 5.440 1.00 0.00 C ATOM 919 CD GLN A 57 20.192 16.442 4.976 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.017 17.485 4.353 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.414 16.010 5.239 1.00 0.00 N ATOM 0 H GLN A 57 17.951 13.013 6.367 1.00 0.00 H new ATOM 0 HA GLN A 57 16.590 14.846 4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.380 13.662 4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.787 14.860 3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.135 16.241 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.231 15.160 6.411 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.547 15.142 5.758 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.223 16.545 4.923 1.00 0.00 H new ATOM 930 N SER A 58 17.084 11.693 3.701 1.00 0.00 N ATOM 931 CA SER A 58 16.497 10.695 2.813 1.00 0.00 C ATOM 932 C SER A 58 14.976 10.691 2.966 1.00 0.00 C ATOM 933 O SER A 58 14.270 10.607 1.964 1.00 0.00 O ATOM 934 CB SER A 58 17.052 9.304 3.109 1.00 0.00 C ATOM 935 OG SER A 58 17.108 9.096 4.501 1.00 0.00 O ATOM 0 H SER A 58 17.710 11.314 4.412 1.00 0.00 H new ATOM 0 HA SER A 58 16.757 10.956 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.422 8.545 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.047 9.201 2.677 1.00 0.00 H new ATOM 0 HG SER A 58 16.993 8.142 4.694 1.00 0.00 H new ATOM 941 N ASN A 59 14.460 10.825 4.194 1.00 0.00 N ATOM 942 CA ASN A 59 13.027 10.951 4.435 1.00 0.00 C ATOM 943 C ASN A 59 12.445 12.138 3.677 1.00 0.00 C ATOM 944 O ASN A 59 11.484 11.972 2.933 1.00 0.00 O ATOM 945 CB ASN A 59 12.728 11.047 5.937 1.00 0.00 C ATOM 946 CG ASN A 59 11.293 11.487 6.203 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.345 10.752 5.951 1.00 0.00 O ATOM 948 ND2 ASN A 59 11.106 12.691 6.719 1.00 0.00 N ATOM 0 H ASN A 59 15.026 10.848 5.042 1.00 0.00 H new ATOM 0 HA ASN A 59 12.543 10.050 4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.904 10.078 6.405 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.416 11.754 6.400 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.161 13.021 6.914 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.907 13.289 6.922 1.00 0.00 H new ATOM 955 N ALA A 60 13.038 13.322 3.810 1.00 0.00 N ATOM 956 CA ALA A 60 12.544 14.498 3.104 1.00 0.00 C ATOM 957 C ALA A 60 12.589 14.297 1.585 1.00 0.00 C ATOM 958 O ALA A 60 11.623 14.620 0.894 1.00 0.00 O ATOM 959 CB ALA A 60 13.329 15.736 3.534 1.00 0.00 C ATOM 0 H ALA A 60 13.855 13.491 4.396 1.00 0.00 H new ATOM 0 HA ALA A 60 11.498 14.649 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.952 16.609 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.211 15.887 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.385 15.596 3.301 1.00 0.00 H new ATOM 965 N ALA A 61 13.674 13.714 1.072 1.00 0.00 N ATOM 966 CA ALA A 61 13.816 13.409 -0.346 1.00 0.00 C ATOM 967 C ALA A 61 12.752 12.411 -0.818 1.00 0.00 C ATOM 968 O ALA A 61 12.194 12.575 -1.902 1.00 0.00 O ATOM 969 CB ALA A 61 15.216 12.863 -0.621 1.00 0.00 C ATOM 0 H ALA A 61 14.480 13.440 1.634 1.00 0.00 H new ATOM 0 HA ALA A 61 13.671 14.332 -0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.316 12.637 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.959 13.608 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.373 11.954 -0.040 1.00 0.00 H new ATOM 975 N LYS A 62 12.444 11.392 -0.007 1.00 0.00 N ATOM 976 CA LYS A 62 11.379 10.435 -0.281 1.00 0.00 C ATOM 977 C LYS A 62 10.060 11.182 -0.407 1.00 0.00 C ATOM 978 O LYS A 62 9.396 11.052 -1.431 1.00 0.00 O ATOM 979 CB LYS A 62 11.342 9.355 0.817 1.00 0.00 C ATOM 980 CG LYS A 62 10.096 8.456 0.747 1.00 0.00 C ATOM 981 CD LYS A 62 10.047 7.511 1.950 1.00 0.00 C ATOM 982 CE LYS A 62 8.771 6.661 1.963 1.00 0.00 C ATOM 983 NZ LYS A 62 7.541 7.448 2.228 1.00 0.00 N ATOM 0 H LYS A 62 12.937 11.211 0.868 1.00 0.00 H new ATOM 0 HA LYS A 62 11.564 9.920 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.234 8.734 0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.378 9.838 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.197 9.072 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.109 7.878 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.918 6.856 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.104 8.093 2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.670 6.156 1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.868 5.885 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.807 6.824 2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.753 8.204 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.199 7.868 1.340 1.00 0.00 H new ATOM 997 N GLU A 63 9.678 11.972 0.597 1.00 0.00 N ATOM 998 CA GLU A 63 8.388 12.651 0.574 1.00 0.00 C ATOM 999 C GLU A 63 8.303 13.623 -0.615 1.00 0.00 C ATOM 1000 O GLU A 63 7.225 13.815 -1.179 1.00 0.00 O ATOM 1001 CB GLU A 63 8.125 13.375 1.906 1.00 0.00 C ATOM 1002 CG GLU A 63 8.102 12.465 3.148 1.00 0.00 C ATOM 1003 CD GLU A 63 7.136 11.268 3.030 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.904 11.489 2.966 1.00 0.00 O ATOM 1005 OE2 GLU A 63 7.596 10.102 3.028 1.00 0.00 O ATOM 0 H GLU A 63 10.240 12.155 1.428 1.00 0.00 H new ATOM 0 HA GLU A 63 7.610 11.899 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.892 14.136 2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.169 13.895 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.109 12.090 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.822 13.060 4.017 1.00 0.00 H new ATOM 1012 N ALA A 64 9.437 14.203 -1.021 1.00 0.00 N ATOM 1013 CA ALA A 64 9.522 15.121 -2.147 1.00 0.00 C ATOM 1014 C ALA A 64 9.382 14.424 -3.507 1.00 0.00 C ATOM 1015 O ALA A 64 8.736 14.985 -4.395 1.00 0.00 O ATOM 1016 CB ALA A 64 10.867 15.851 -2.093 1.00 0.00 C ATOM 0 H ALA A 64 10.334 14.041 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 64 8.688 15.817 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.940 16.542 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.942 16.407 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.678 15.125 -2.149 1.00 0.00 H new ATOM 1022 N LEU A 65 9.976 13.235 -3.695 1.00 0.00 N ATOM 1023 CA LEU A 65 10.088 12.602 -5.016 1.00 0.00 C ATOM 1024 C LEU A 65 9.241 11.338 -5.179 1.00 0.00 C ATOM 1025 O LEU A 65 9.179 10.805 -6.288 1.00 0.00 O ATOM 1026 CB LEU A 65 11.563 12.325 -5.374 1.00 0.00 C ATOM 1027 CG LEU A 65 12.454 13.564 -5.580 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.858 13.115 -6.006 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.918 14.532 -6.644 1.00 0.00 C ATOM 0 H LEU A 65 10.390 12.689 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 65 9.678 13.325 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.000 11.716 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.589 11.728 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 65 12.468 14.095 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.491 13.990 -6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.288 12.482 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.793 12.554 -6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.595 15.381 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.848 14.017 -7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.930 14.886 -6.349 1.00 0.00 H new ATOM 1041 N GLN A 66 8.551 10.851 -4.142 1.00 0.00 N ATOM 1042 CA GLN A 66 7.545 9.809 -4.344 1.00 0.00 C ATOM 1043 C GLN A 66 6.503 10.337 -5.343 1.00 0.00 C ATOM 1044 O GLN A 66 5.952 11.427 -5.165 1.00 0.00 O ATOM 1045 CB GLN A 66 6.877 9.380 -3.024 1.00 0.00 C ATOM 1046 CG GLN A 66 7.676 8.301 -2.277 1.00 0.00 C ATOM 1047 CD GLN A 66 6.925 7.760 -1.058 1.00 0.00 C ATOM 1048 OE1 GLN A 66 6.422 8.504 -0.223 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.862 6.450 -0.883 1.00 0.00 N ATOM 0 H GLN A 66 8.668 11.155 -3.175 1.00 0.00 H new ATOM 0 HA GLN A 66 8.031 8.917 -4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.762 10.252 -2.380 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.876 9.004 -3.234 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.897 7.479 -2.958 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.632 8.716 -1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.277 5.823 -1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.398 6.067 -0.059 1.00 0.00 H new ATOM 1058 N GLY A 67 6.249 9.560 -6.397 1.00 0.00 N ATOM 1059 CA GLY A 67 5.313 9.886 -7.466 1.00 0.00 C ATOM 1060 C GLY A 67 5.920 10.743 -8.585 1.00 0.00 C ATOM 1061 O GLY A 67 5.202 11.099 -9.520 1.00 0.00 O ATOM 0 H GLY A 67 6.706 8.658 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.932 8.960 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.460 10.414 -7.040 1.00 0.00 H new ATOM 1065 N PHE A 68 7.209 11.100 -8.517 1.00 0.00 N ATOM 1066 CA PHE A 68 7.846 11.992 -9.484 1.00 0.00 C ATOM 1067 C PHE A 68 8.005 11.269 -10.820 1.00 0.00 C ATOM 1068 O PHE A 68 8.655 10.227 -10.879 1.00 0.00 O ATOM 1069 CB PHE A 68 9.208 12.445 -8.941 1.00 0.00 C ATOM 1070 CG PHE A 68 9.963 13.386 -9.859 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.740 14.774 -9.786 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.884 12.873 -10.791 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.435 15.646 -10.642 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.571 13.745 -11.653 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.349 15.132 -11.579 1.00 0.00 C ATOM 0 H PHE A 68 7.839 10.774 -7.784 1.00 0.00 H new ATOM 0 HA PHE A 68 7.225 12.874 -9.641 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.058 12.936 -7.980 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.824 11.565 -8.756 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.034 15.170 -9.071 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.063 11.809 -10.844 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.267 16.711 -10.580 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.271 13.349 -12.374 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.879 15.801 -12.241 1.00 0.00 H new ATOM 1085 N LYS A 69 7.441 11.807 -11.904 1.00 0.00 N ATOM 1086 CA LYS A 69 7.677 11.275 -13.249 1.00 0.00 C ATOM 1087 C LYS A 69 9.147 11.457 -13.604 1.00 0.00 C ATOM 1088 O LYS A 69 9.582 12.575 -13.883 1.00 0.00 O ATOM 1089 CB LYS A 69 6.792 11.952 -14.316 1.00 0.00 C ATOM 1090 CG LYS A 69 5.593 11.093 -14.736 1.00 0.00 C ATOM 1091 CD LYS A 69 4.564 10.867 -13.618 1.00 0.00 C ATOM 1092 CE LYS A 69 3.505 9.823 -14.008 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.595 10.274 -15.092 1.00 0.00 N ATOM 0 H LYS A 69 6.816 12.613 -11.877 1.00 0.00 H new ATOM 0 HA LYS A 69 7.413 10.218 -13.241 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.431 12.905 -13.929 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.398 12.174 -15.194 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.097 11.569 -15.582 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.956 10.125 -15.083 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.078 10.541 -12.714 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.072 11.811 -13.382 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.008 8.909 -14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.912 9.573 -13.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.651 9.863 -14.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.527 11.312 -15.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.969 9.963 -16.011 1.00 0.00 H new ATOM 1107 N ILE A 70 9.899 10.359 -13.620 1.00 0.00 N ATOM 1108 CA ILE A 70 11.255 10.368 -14.163 1.00 0.00 C ATOM 1109 C ILE A 70 11.093 10.467 -15.690 1.00 0.00 C ATOM 1110 O ILE A 70 11.773 11.260 -16.343 1.00 0.00 O ATOM 1111 CB ILE A 70 12.013 9.101 -13.731 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.140 9.020 -12.198 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.413 9.095 -14.360 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.575 7.634 -11.717 1.00 0.00 C ATOM 0 H ILE A 70 9.593 9.453 -13.264 1.00 0.00 H new ATOM 0 HA ILE A 70 11.846 11.205 -13.791 1.00 0.00 H new ATOM 0 HB ILE A 70 11.447 8.235 -14.075 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.862 9.762 -11.857 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.182 9.274 -11.744 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.947 8.196 -14.052 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.324 9.109 -15.446 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.964 9.975 -14.030 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.649 7.633 -10.629 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.841 6.893 -12.032 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.546 7.388 -12.147 1.00 0.00 H new ATOM 1126 N THR A 71 10.128 9.716 -16.236 1.00 0.00 N ATOM 1127 CA THR A 71 9.677 9.766 -17.620 1.00 0.00 C ATOM 1128 C THR A 71 8.141 9.713 -17.553 1.00 0.00 C ATOM 1129 O THR A 71 7.634 9.149 -16.581 1.00 0.00 O ATOM 1130 CB THR A 71 10.356 8.596 -18.378 1.00 0.00 C ATOM 1131 OG1 THR A 71 11.760 8.633 -18.189 1.00 0.00 O ATOM 1132 CG2 THR A 71 10.106 8.532 -19.884 1.00 0.00 C ATOM 0 H THR A 71 9.618 9.022 -15.689 1.00 0.00 H new ATOM 0 HA THR A 71 9.951 10.665 -18.172 1.00 0.00 H new ATOM 0 HB THR A 71 9.890 7.712 -17.943 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.175 7.888 -18.672 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.631 7.674 -20.304 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.037 8.431 -20.071 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.472 9.446 -20.353 1.00 0.00 H new ATOM 1140 N PRO A 72 7.383 10.295 -18.509 1.00 0.00 N ATOM 1141 CA PRO A 72 5.931 10.493 -18.422 1.00 0.00 C ATOM 1142 C PRO A 72 5.035 9.340 -17.946 1.00 0.00 C ATOM 1143 O PRO A 72 3.930 9.625 -17.478 1.00 0.00 O ATOM 1144 CB PRO A 72 5.499 10.988 -19.803 1.00 0.00 C ATOM 1145 CG PRO A 72 6.701 11.821 -20.231 1.00 0.00 C ATOM 1146 CD PRO A 72 7.877 11.018 -19.681 1.00 0.00 C ATOM 0 HA PRO A 72 5.777 11.197 -17.604 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.308 10.164 -20.490 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.586 11.582 -19.756 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.755 11.928 -21.314 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.666 12.827 -19.813 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.256 10.325 -20.432 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.702 11.677 -19.410 1.00 0.00 H new ATOM 1154 N THR A 73 5.475 8.079 -18.000 1.00 0.00 N ATOM 1155 CA THR A 73 4.680 6.922 -17.570 1.00 0.00 C ATOM 1156 C THR A 73 5.443 6.088 -16.520 1.00 0.00 C ATOM 1157 O THR A 73 5.148 4.911 -16.309 1.00 0.00 O ATOM 1158 CB THR A 73 4.211 6.116 -18.810 1.00 0.00 C ATOM 1159 OG1 THR A 73 3.978 6.953 -19.935 1.00 0.00 O ATOM 1160 CG2 THR A 73 2.897 5.364 -18.562 1.00 0.00 C ATOM 0 H THR A 73 6.401 7.829 -18.346 1.00 0.00 H new ATOM 0 HA THR A 73 3.775 7.257 -17.063 1.00 0.00 H new ATOM 0 HB THR A 73 5.024 5.416 -19.002 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.686 6.407 -20.694 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.615 4.817 -19.462 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.029 4.663 -17.738 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.112 6.077 -18.310 1.00 0.00 H new ATOM 1168 N HIS A 74 6.421 6.699 -15.843 1.00 0.00 N ATOM 1169 CA HIS A 74 7.273 6.073 -14.842 1.00 0.00 C ATOM 1170 C HIS A 74 7.388 7.025 -13.655 1.00 0.00 C ATOM 1171 O HIS A 74 8.376 7.749 -13.492 1.00 0.00 O ATOM 1172 CB HIS A 74 8.628 5.692 -15.446 1.00 0.00 C ATOM 1173 CG HIS A 74 8.524 4.568 -16.447 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.567 3.220 -16.164 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.391 4.691 -17.805 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.467 2.550 -17.324 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.358 3.404 -18.359 1.00 0.00 N ATOM 0 H HIS A 74 6.645 7.684 -15.988 1.00 0.00 H new ATOM 0 HA HIS A 74 6.838 5.138 -14.489 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.064 6.566 -15.931 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.308 5.399 -14.646 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.659 2.804 -15.237 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.323 5.619 -18.354 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.473 1.474 -17.414 1.00 0.00 H new ATOM 1185 N ALA A 75 6.313 7.064 -12.865 1.00 0.00 N ATOM 1186 CA ALA A 75 6.294 7.730 -11.574 1.00 0.00 C ATOM 1187 C ALA A 75 7.193 6.935 -10.627 1.00 0.00 C ATOM 1188 O ALA A 75 6.885 5.786 -10.300 1.00 0.00 O ATOM 1189 CB ALA A 75 4.858 7.789 -11.036 1.00 0.00 C ATOM 0 H ALA A 75 5.425 6.627 -13.112 1.00 0.00 H new ATOM 0 HA ALA A 75 6.658 8.753 -11.663 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.852 8.290 -10.068 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.230 8.342 -11.734 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.470 6.777 -10.923 1.00 0.00 H new ATOM 1195 N MET A 76 8.296 7.546 -10.204 1.00 0.00 N ATOM 1196 CA MET A 76 9.213 7.030 -9.204 1.00 0.00 C ATOM 1197 C MET A 76 8.446 6.577 -7.966 1.00 0.00 C ATOM 1198 O MET A 76 7.641 7.336 -7.421 1.00 0.00 O ATOM 1199 CB MET A 76 10.179 8.164 -8.826 1.00 0.00 C ATOM 1200 CG MET A 76 11.317 7.727 -7.901 1.00 0.00 C ATOM 1201 SD MET A 76 12.330 9.094 -7.272 1.00 0.00 S ATOM 1202 CE MET A 76 13.017 9.820 -8.783 1.00 0.00 C ATOM 0 H MET A 76 8.584 8.454 -10.568 1.00 0.00 H new ATOM 0 HA MET A 76 9.758 6.173 -9.601 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.605 8.584 -9.737 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.616 8.961 -8.341 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.895 7.184 -7.056 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.960 7.030 -8.439 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.582 10.718 -8.531 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.677 9.099 -9.265 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.206 10.080 -9.463 1.00 0.00 H new ATOM 1212 N LYS A 77 8.734 5.372 -7.485 1.00 0.00 N ATOM 1213 CA LYS A 77 8.265 4.896 -6.194 1.00 0.00 C ATOM 1214 C LYS A 77 9.518 4.705 -5.352 1.00 0.00 C ATOM 1215 O LYS A 77 10.585 4.380 -5.876 1.00 0.00 O ATOM 1216 CB LYS A 77 7.450 3.605 -6.342 1.00 0.00 C ATOM 1217 CG LYS A 77 6.070 3.858 -6.969 1.00 0.00 C ATOM 1218 CD LYS A 77 5.199 2.594 -7.033 1.00 0.00 C ATOM 1219 CE LYS A 77 4.756 2.112 -5.640 1.00 0.00 C ATOM 1220 NZ LYS A 77 3.830 0.953 -5.721 1.00 0.00 N ATOM 0 H LYS A 77 9.306 4.693 -7.988 1.00 0.00 H new ATOM 0 HA LYS A 77 7.586 5.603 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.003 2.897 -6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.323 3.143 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.550 4.622 -6.392 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.202 4.253 -7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.317 2.795 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.755 1.798 -7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.634 1.835 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.267 2.930 -5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.556 0.660 -4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.980 1.224 -6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.304 0.163 -6.202 1.00 0.00 H new ATOM 1234 N ILE A 78 9.399 4.975 -4.058 1.00 0.00 N ATOM 1235 CA ILE A 78 10.506 5.042 -3.115 1.00 0.00 C ATOM 1236 C ILE A 78 10.019 4.310 -1.875 1.00 0.00 C ATOM 1237 O ILE A 78 8.857 4.472 -1.488 1.00 0.00 O ATOM 1238 CB ILE A 78 10.864 6.516 -2.784 1.00 0.00 C ATOM 1239 CG1 ILE A 78 11.073 7.397 -4.040 1.00 0.00 C ATOM 1240 CG2 ILE A 78 12.081 6.603 -1.846 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.331 8.874 -3.739 1.00 0.00 C ATOM 0 H ILE A 78 8.496 5.160 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 78 11.412 4.592 -3.521 1.00 0.00 H new ATOM 0 HB ILE A 78 9.995 6.921 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.914 7.002 -4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.191 7.317 -4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.304 7.649 -1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.859 6.084 -0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.943 6.138 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.466 9.418 -4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.481 9.289 -3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.230 8.970 -3.130 1.00 0.00 H new ATOM 1253 N THR A 79 10.917 3.576 -1.235 1.00 0.00 N ATOM 1254 CA THR A 79 10.742 2.878 0.026 1.00 0.00 C ATOM 1255 C THR A 79 12.032 3.119 0.820 1.00 0.00 C ATOM 1256 O THR A 79 13.091 3.326 0.222 1.00 0.00 O ATOM 1257 CB THR A 79 10.561 1.368 -0.251 1.00 0.00 C ATOM 1258 OG1 THR A 79 9.779 1.112 -1.402 1.00 0.00 O ATOM 1259 CG2 THR A 79 9.867 0.656 0.908 1.00 0.00 C ATOM 0 H THR A 79 11.855 3.444 -1.613 1.00 0.00 H new ATOM 0 HA THR A 79 9.868 3.229 0.575 1.00 0.00 H new ATOM 0 HB THR A 79 11.574 0.993 -0.393 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.697 0.144 -1.533 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.760 -0.403 0.673 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.464 0.768 1.813 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.882 1.094 1.067 1.00 0.00 H new ATOM 1267 N PHE A 80 11.989 3.100 2.153 1.00 0.00 N ATOM 1268 CA PHE A 80 13.229 3.089 2.921 1.00 0.00 C ATOM 1269 C PHE A 80 13.866 1.712 2.730 1.00 0.00 C ATOM 1270 O PHE A 80 13.183 0.694 2.856 1.00 0.00 O ATOM 1271 CB PHE A 80 12.965 3.383 4.400 1.00 0.00 C ATOM 1272 CG PHE A 80 12.549 4.818 4.655 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.497 5.853 4.550 1.00 0.00 C ATOM 1274 CD2 PHE A 80 11.213 5.125 4.969 1.00 0.00 C ATOM 1275 CE1 PHE A 80 13.112 7.190 4.754 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.830 6.456 5.196 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.776 7.487 5.083 1.00 0.00 C ATOM 0 H PHE A 80 11.133 3.092 2.708 1.00 0.00 H new ATOM 0 HA PHE A 80 13.904 3.870 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 80 12.185 2.715 4.764 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.865 3.164 4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.524 5.619 4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.480 4.335 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.837 7.985 4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.808 6.687 5.458 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.478 8.512 5.249 1.00 0.00 H new ATOM 1287 N ALA A 81 15.159 1.679 2.398 1.00 0.00 N ATOM 1288 CA ALA A 81 15.920 0.436 2.412 1.00 0.00 C ATOM 1289 C ALA A 81 16.196 0.077 3.878 1.00 0.00 C ATOM 1290 O ALA A 81 15.956 0.891 4.775 1.00 0.00 O ATOM 1291 CB ALA A 81 17.218 0.597 1.611 1.00 0.00 C ATOM 0 H ALA A 81 15.696 2.499 2.117 1.00 0.00 H new ATOM 0 HA ALA A 81 15.358 -0.370 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.776 -0.339 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.979 0.856 0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.823 1.389 2.053 1.00 0.00 H new