USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 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 106 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 92 TYR OH : rot 165:sc= -0.0825 USER MOD Set 2.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 13 TYR OH : rot 180:sc=-0.00417 USER MOD Set 3.2: A 84 SER OG : rot 55:sc= 1.28 USER MOD Set 4.1: A 55 SER OG : rot 50:sc= -0.387 USER MOD Set 4.2: A 64 HIS : no HD1:sc= -2.69! C(o=-3.1!,f=-7!) USER MOD Set 5.1: A 40 TYR OH : rot 141:sc= 0.442 USER MOD Set 5.2: A 93 GLN : amide:sc= -0.826 K(o=-0.38,f=-1.1!) USER MOD Set 6.1: A 35 HIS : no HE2:sc= -6.48! C(o=-7.3!,f=-5!) USER MOD Set 6.2: A 39 THR OG1 : rot -120:sc= -0.846 USER MOD Single : A 14 THR OG1 : rot -30:sc= 1.26 USER MOD Single : A 16 TYR OH : rot 169:sc= -1.23 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 166:sc= -3 (180deg=-3.55) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0215 K(o=-0.021,f=-1.3) USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.76 USER MOD Single : A 30 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -122:sc= -0.075 (180deg=-1.96!) USER MOD Single : A 59 ASN : amide:sc=-0.000641 X(o=-0.00064,f=-0.061) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0952) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.399 K(o=-0.4,f=-3.7!) USER MOD Single : A 75 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 77 THR OG1 : rot -59:sc= 0.00264 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 159:sc=-0.00605 (180deg=-0.435) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -3.4! C(o=-3.4!,f=-10!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.208 USER MOD Single : A 98 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0552) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0438 K(o=-0.044,f=-1.3!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 60:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 1.804 -11.542 -9.436 1.00 0.00 N ATOM 117 CA ILE A 11 2.090 -10.195 -9.913 1.00 0.00 C ATOM 118 C ILE A 11 3.289 -9.598 -9.186 1.00 0.00 C ATOM 119 O ILE A 11 3.511 -9.870 -8.006 1.00 0.00 O ATOM 120 CB ILE A 11 0.877 -9.263 -9.730 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.337 -9.818 -10.478 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.209 -7.860 -10.215 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.659 -9.326 -9.933 1.00 0.00 C ATOM 0 HA ILE A 11 2.317 -10.278 -10.976 1.00 0.00 H new ATOM 0 HB ILE A 11 0.634 -9.211 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.262 -9.543 -11.530 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.316 -10.907 -10.431 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.342 -7.213 -10.079 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.049 -7.466 -9.642 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.474 -7.894 -11.272 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.475 -9.760 -10.511 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.756 -9.624 -8.889 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.701 -8.239 -10.006 1.00 0.00 H new ATOM 135 N ASP A 12 4.059 -8.783 -9.898 1.00 0.00 N ATOM 136 CA ASP A 12 5.236 -8.143 -9.320 1.00 0.00 C ATOM 137 C ASP A 12 4.906 -6.735 -8.835 1.00 0.00 C ATOM 138 O ASP A 12 4.802 -5.802 -9.631 1.00 0.00 O ATOM 139 CB ASP A 12 6.369 -8.091 -10.346 1.00 0.00 C ATOM 140 CG ASP A 12 7.689 -7.671 -9.729 1.00 0.00 C ATOM 141 OD1 ASP A 12 7.672 -6.822 -8.813 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.740 -8.188 -10.163 1.00 0.00 O ATOM 0 H ASP A 12 3.890 -8.549 -10.876 1.00 0.00 H new ATOM 0 HA ASP A 12 5.559 -8.736 -8.464 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.483 -9.072 -10.808 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.104 -7.393 -11.141 1.00 0.00 H new ATOM 147 N TYR A 13 4.743 -6.590 -7.525 1.00 0.00 N ATOM 148 CA TYR A 13 4.422 -5.297 -6.934 1.00 0.00 C ATOM 149 C TYR A 13 5.676 -4.442 -6.776 1.00 0.00 C ATOM 150 O TYR A 13 5.614 -3.213 -6.802 1.00 0.00 O ATOM 151 CB TYR A 13 3.746 -5.487 -5.574 1.00 0.00 C ATOM 152 CG TYR A 13 2.666 -6.545 -5.578 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.584 -6.457 -6.446 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.725 -7.631 -4.714 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.594 -7.421 -6.453 1.00 0.00 C ATOM 156 CE2 TYR A 13 1.741 -8.599 -4.714 1.00 0.00 C ATOM 157 CZ TYR A 13 0.678 -8.490 -5.586 1.00 0.00 C ATOM 158 OH TYR A 13 -0.306 -9.453 -5.588 1.00 0.00 O ATOM 0 H TYR A 13 4.828 -7.352 -6.852 1.00 0.00 H new ATOM 0 HA TYR A 13 3.735 -4.781 -7.605 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.502 -5.754 -4.836 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.313 -4.538 -5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.516 -5.621 -7.126 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.556 -7.720 -4.030 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.241 -7.338 -7.133 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.803 -9.437 -4.035 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.096 -10.137 -4.919 1.00 0.00 H new ATOM 168 N THR A 14 6.817 -5.105 -6.609 1.00 0.00 N ATOM 169 CA THR A 14 8.087 -4.409 -6.446 1.00 0.00 C ATOM 170 C THR A 14 8.522 -3.745 -7.747 1.00 0.00 C ATOM 171 O THR A 14 9.484 -2.978 -7.773 1.00 0.00 O ATOM 172 CB THR A 14 9.197 -5.369 -5.977 1.00 0.00 C ATOM 173 OG1 THR A 14 9.480 -6.329 -7.001 1.00 0.00 O ATOM 174 CG2 THR A 14 8.787 -6.087 -4.700 1.00 0.00 C ATOM 0 H THR A 14 6.887 -6.122 -6.583 1.00 0.00 H new ATOM 0 HA THR A 14 7.932 -3.644 -5.685 1.00 0.00 H new ATOM 0 HB THR A 14 10.093 -4.782 -5.773 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.669 -6.499 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.586 -6.759 -4.388 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.601 -5.355 -3.914 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.879 -6.662 -4.881 1.00 0.00 H new ATOM 182 N ALA A 15 7.807 -4.045 -8.827 1.00 0.00 N ATOM 183 CA ALA A 15 8.117 -3.474 -10.132 1.00 0.00 C ATOM 184 C ALA A 15 7.540 -2.069 -10.268 1.00 0.00 C ATOM 185 O ALA A 15 8.044 -1.252 -11.039 1.00 0.00 O ATOM 186 CB ALA A 15 7.590 -4.374 -11.240 1.00 0.00 C ATOM 0 H ALA A 15 7.009 -4.680 -8.824 1.00 0.00 H new ATOM 0 HA ALA A 15 9.201 -3.403 -10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.828 -3.936 -12.209 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.055 -5.357 -11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.509 -4.475 -11.143 1.00 0.00 H new ATOM 192 N TYR A 16 6.479 -1.795 -9.517 1.00 0.00 N ATOM 193 CA TYR A 16 5.832 -0.490 -9.556 1.00 0.00 C ATOM 194 C TYR A 16 6.675 0.560 -8.840 1.00 0.00 C ATOM 195 O TYR A 16 7.367 0.276 -7.862 1.00 0.00 O ATOM 196 CB TYR A 16 4.444 -0.566 -8.918 1.00 0.00 C ATOM 197 CG TYR A 16 3.429 -1.306 -9.761 1.00 0.00 C ATOM 198 CD1 TYR A 16 2.930 -0.747 -10.931 1.00 0.00 C ATOM 199 CD2 TYR A 16 2.969 -2.561 -9.387 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.002 -1.417 -11.704 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.042 -3.241 -10.154 1.00 0.00 C ATOM 202 CZ TYR A 16 1.563 -2.665 -11.312 1.00 0.00 C ATOM 203 OH TYR A 16 0.639 -3.337 -12.079 1.00 0.00 O ATOM 0 H TYR A 16 6.049 -2.460 -8.874 1.00 0.00 H new ATOM 0 HA TYR A 16 5.730 -0.196 -10.601 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.526 -1.057 -7.948 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.082 0.446 -8.734 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.274 0.229 -11.241 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.342 -3.014 -8.480 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.622 -0.967 -12.609 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.695 -4.217 -9.849 1.00 0.00 H new ATOM 0 HH TYR A 16 0.565 -4.263 -11.765 1.00 0.00 H new ATOM 213 N PRO A 17 6.619 1.804 -9.338 1.00 0.00 N ATOM 214 CA PRO A 17 7.371 2.923 -8.762 1.00 0.00 C ATOM 215 C PRO A 17 6.834 3.340 -7.397 1.00 0.00 C ATOM 216 O PRO A 17 7.573 3.864 -6.563 1.00 0.00 O ATOM 217 CB PRO A 17 7.171 4.047 -9.781 1.00 0.00 C ATOM 218 CG PRO A 17 5.889 3.716 -10.464 1.00 0.00 C ATOM 219 CD PRO A 17 5.816 2.215 -10.503 1.00 0.00 C ATOM 0 HA PRO A 17 8.416 2.666 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.119 5.020 -9.292 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.998 4.090 -10.490 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.040 4.134 -9.924 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.864 4.134 -11.470 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.788 1.861 -10.428 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.223 1.817 -11.432 1.00 0.00 H new ATOM 227 N TRP A 18 5.546 3.103 -7.176 1.00 0.00 N ATOM 228 CA TRP A 18 4.912 3.454 -5.910 1.00 0.00 C ATOM 229 C TRP A 18 5.215 2.411 -4.841 1.00 0.00 C ATOM 230 O TRP A 18 4.585 2.390 -3.784 1.00 0.00 O ATOM 231 CB TRP A 18 3.399 3.588 -6.095 1.00 0.00 C ATOM 232 CG TRP A 18 2.804 2.500 -6.938 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.402 2.600 -8.239 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.545 1.151 -6.538 1.00 0.00 C ATOM 235 NE1 TRP A 18 1.908 1.393 -8.672 1.00 0.00 N ATOM 236 CE2 TRP A 18 1.985 0.487 -7.647 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.732 0.438 -5.350 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.611 -0.853 -7.601 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.360 -0.892 -5.306 1.00 0.00 C ATOM 240 CH2 TRP A 18 1.805 -1.526 -6.426 1.00 0.00 C ATOM 0 H TRP A 18 4.921 2.670 -7.856 1.00 0.00 H new ATOM 0 HA TRP A 18 5.318 4.411 -5.582 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.919 3.583 -5.116 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.180 4.553 -6.553 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.463 3.496 -8.839 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.543 1.202 -9.605 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.160 0.918 -4.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.183 -1.344 -8.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.499 -1.452 -4.393 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.525 -2.567 -6.360 1.00 0.00 H new ATOM 251 N PHE A 19 6.184 1.547 -5.122 1.00 0.00 N ATOM 252 CA PHE A 19 6.572 0.499 -4.184 1.00 0.00 C ATOM 253 C PHE A 19 7.777 0.932 -3.355 1.00 0.00 C ATOM 254 O PHE A 19 8.793 1.367 -3.895 1.00 0.00 O ATOM 255 CB PHE A 19 6.891 -0.795 -4.934 1.00 0.00 C ATOM 256 CG PHE A 19 7.724 -1.759 -4.138 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.123 -2.704 -3.323 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.107 -1.720 -4.207 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.887 -3.591 -2.589 1.00 0.00 C ATOM 260 CE2 PHE A 19 9.876 -2.606 -3.476 1.00 0.00 C ATOM 261 CZ PHE A 19 9.266 -3.544 -2.667 1.00 0.00 C ATOM 0 H PHE A 19 6.716 1.551 -5.992 1.00 0.00 H new ATOM 0 HA PHE A 19 5.734 0.321 -3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.957 -1.281 -5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.416 -0.550 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.046 -2.748 -3.261 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.590 -0.989 -4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.407 -4.321 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.953 -2.565 -3.538 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.865 -4.239 -2.097 1.00 0.00 H new ATOM 271 N ALA A 20 7.656 0.807 -2.036 1.00 0.00 N ATOM 272 CA ALA A 20 8.735 1.183 -1.132 1.00 0.00 C ATOM 273 C ALA A 20 9.668 0.005 -0.871 1.00 0.00 C ATOM 274 O ALA A 20 10.853 0.055 -1.198 1.00 0.00 O ATOM 275 CB ALA A 20 8.166 1.708 0.178 1.00 0.00 C ATOM 0 H ALA A 20 6.822 0.448 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 20 9.315 1.974 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.983 1.985 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.546 2.582 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.561 0.933 0.649 1.00 0.00 H new ATOM 281 N GLY A 21 9.125 -1.055 -0.279 1.00 0.00 N ATOM 282 CA GLY A 21 9.923 -2.230 0.017 1.00 0.00 C ATOM 283 C GLY A 21 10.494 -2.205 1.420 1.00 0.00 C ATOM 284 O GLY A 21 11.401 -1.426 1.715 1.00 0.00 O ATOM 0 H GLY A 21 8.146 -1.120 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.309 -3.122 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.739 -2.302 -0.703 1.00 0.00 H new ATOM 288 N ASN A 22 9.963 -3.058 2.290 1.00 0.00 N ATOM 289 CA ASN A 22 10.424 -3.130 3.671 1.00 0.00 C ATOM 290 C ASN A 22 10.840 -1.752 4.177 1.00 0.00 C ATOM 291 O ASN A 22 11.860 -1.609 4.850 1.00 0.00 O ATOM 292 CB ASN A 22 11.599 -4.104 3.788 1.00 0.00 C ATOM 293 CG ASN A 22 11.429 -5.323 2.902 1.00 0.00 C ATOM 294 OD1 ASN A 22 10.558 -6.160 3.139 1.00 0.00 O ATOM 295 ND2 ASN A 22 12.264 -5.428 1.875 1.00 0.00 N ATOM 0 H ASN A 22 9.212 -3.710 2.062 1.00 0.00 H new ATOM 0 HA ASN A 22 9.599 -3.490 4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.522 -3.590 3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.701 -4.423 4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.199 -6.227 1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.971 -4.710 1.717 1.00 0.00 H new ATOM 302 N MET A 23 10.042 -0.741 3.848 1.00 0.00 N ATOM 303 CA MET A 23 10.326 0.625 4.271 1.00 0.00 C ATOM 304 C MET A 23 9.889 0.849 5.715 1.00 0.00 C ATOM 305 O MET A 23 8.943 0.222 6.191 1.00 0.00 O ATOM 306 CB MET A 23 9.620 1.624 3.352 1.00 0.00 C ATOM 307 CG MET A 23 9.894 3.076 3.708 1.00 0.00 C ATOM 308 SD MET A 23 11.314 3.751 2.826 1.00 0.00 S ATOM 309 CE MET A 23 10.568 5.161 2.010 1.00 0.00 C ATOM 0 H MET A 23 9.194 -0.842 3.290 1.00 0.00 H new ATOM 0 HA MET A 23 11.403 0.782 4.207 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.935 1.445 2.324 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.545 1.445 3.392 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.012 3.675 3.481 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.066 3.157 4.781 1.00 0.00 H new ATOM 0 HE1 MET A 23 11.351 5.818 1.632 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.951 4.817 1.180 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.948 5.707 2.721 1.00 0.00 H new ATOM 319 N GLU A 24 10.585 1.747 6.408 1.00 0.00 N ATOM 320 CA GLU A 24 10.269 2.050 7.798 1.00 0.00 C ATOM 321 C GLU A 24 9.194 3.130 7.888 1.00 0.00 C ATOM 322 O GLU A 24 9.177 4.071 7.093 1.00 0.00 O ATOM 323 CB GLU A 24 11.526 2.503 8.543 1.00 0.00 C ATOM 324 CG GLU A 24 12.405 1.354 9.008 1.00 0.00 C ATOM 325 CD GLU A 24 11.713 0.463 10.021 1.00 0.00 C ATOM 326 OE1 GLU A 24 11.354 0.966 11.106 1.00 0.00 O ATOM 327 OE2 GLU A 24 11.530 -0.737 9.728 1.00 0.00 O ATOM 0 H GLU A 24 11.370 2.276 6.029 1.00 0.00 H new ATOM 0 HA GLU A 24 9.887 1.141 8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.109 3.155 7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.231 3.097 9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.701 0.756 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.319 1.755 9.447 1.00 0.00 H new ATOM 334 N ARG A 25 8.300 2.988 8.860 1.00 0.00 N ATOM 335 CA ARG A 25 7.222 3.950 9.053 1.00 0.00 C ATOM 336 C ARG A 25 7.774 5.365 9.204 1.00 0.00 C ATOM 337 O ARG A 25 7.299 6.298 8.559 1.00 0.00 O ATOM 338 CB ARG A 25 6.393 3.580 10.285 1.00 0.00 C ATOM 339 CG ARG A 25 7.215 3.470 11.559 1.00 0.00 C ATOM 340 CD ARG A 25 6.567 2.525 12.559 1.00 0.00 C ATOM 341 NE ARG A 25 5.613 3.214 13.425 1.00 0.00 N ATOM 342 CZ ARG A 25 4.636 2.597 14.079 1.00 0.00 C ATOM 343 NH1 ARG A 25 4.483 1.285 13.967 1.00 0.00 N ATOM 344 NH2 ARG A 25 3.807 3.292 14.847 1.00 0.00 N ATOM 0 H ARG A 25 8.301 2.216 9.526 1.00 0.00 H new ATOM 0 HA ARG A 25 6.582 3.921 8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.615 4.330 10.428 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.891 2.630 10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.217 3.115 11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.326 4.457 12.008 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.057 1.724 12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.340 2.058 13.170 1.00 0.00 H new ATOM 0 HE ARG A 25 5.702 4.224 13.533 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.117 0.746 13.377 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.731 0.814 14.471 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.920 4.302 14.936 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.057 2.816 15.349 1.00 0.00 H new ATOM 358 N GLN A 26 8.780 5.512 10.061 1.00 0.00 N ATOM 359 CA GLN A 26 9.396 6.812 10.297 1.00 0.00 C ATOM 360 C GLN A 26 9.857 7.442 8.986 1.00 0.00 C ATOM 361 O GLN A 26 9.403 8.524 8.614 1.00 0.00 O ATOM 362 CB GLN A 26 10.581 6.673 11.254 1.00 0.00 C ATOM 363 CG GLN A 26 10.978 7.978 11.924 1.00 0.00 C ATOM 364 CD GLN A 26 12.161 7.816 12.859 1.00 0.00 C ATOM 365 OE1 GLN A 26 12.122 7.018 13.795 1.00 0.00 O ATOM 366 NE2 GLN A 26 13.221 8.578 12.611 1.00 0.00 N ATOM 0 H GLN A 26 9.185 4.748 10.602 1.00 0.00 H new ATOM 0 HA GLN A 26 8.648 7.463 10.749 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.333 5.941 12.022 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.437 6.281 10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.222 8.715 11.159 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.128 8.368 12.484 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.210 9.226 11.824 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.046 8.515 13.208 1.00 0.00 H new ATOM 375 N GLN A 27 10.763 6.759 8.294 1.00 0.00 N ATOM 376 CA GLN A 27 11.286 7.253 7.025 1.00 0.00 C ATOM 377 C GLN A 27 10.155 7.712 6.111 1.00 0.00 C ATOM 378 O GLN A 27 10.197 8.810 5.556 1.00 0.00 O ATOM 379 CB GLN A 27 12.109 6.166 6.331 1.00 0.00 C ATOM 380 CG GLN A 27 13.026 6.700 5.242 1.00 0.00 C ATOM 381 CD GLN A 27 14.121 5.721 4.870 1.00 0.00 C ATOM 382 OE1 GLN A 27 14.197 4.619 5.414 1.00 0.00 O ATOM 383 NE2 GLN A 27 14.977 6.117 3.934 1.00 0.00 N ATOM 0 H GLN A 27 11.150 5.863 8.590 1.00 0.00 H new ATOM 0 HA GLN A 27 11.929 8.108 7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.709 5.645 7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.432 5.431 5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.435 6.932 4.356 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.477 7.634 5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.877 7.039 3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.734 5.499 3.640 1.00 0.00 H new ATOM 392 N THR A 28 9.143 6.862 5.957 1.00 0.00 N ATOM 393 CA THR A 28 8.001 7.180 5.110 1.00 0.00 C ATOM 394 C THR A 28 7.431 8.554 5.446 1.00 0.00 C ATOM 395 O THR A 28 7.283 9.406 4.569 1.00 0.00 O ATOM 396 CB THR A 28 6.887 6.126 5.251 1.00 0.00 C ATOM 397 OG1 THR A 28 7.409 4.821 4.978 1.00 0.00 O ATOM 398 CG2 THR A 28 5.736 6.425 4.302 1.00 0.00 C ATOM 0 H THR A 28 9.092 5.949 6.408 1.00 0.00 H new ATOM 0 HA THR A 28 8.362 7.182 4.081 1.00 0.00 H new ATOM 0 HB THR A 28 6.513 6.160 6.274 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.942 4.516 5.742 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.961 5.667 4.420 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.321 7.407 4.531 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.100 6.416 3.275 1.00 0.00 H new ATOM 406 N ASP A 29 7.116 8.762 6.719 1.00 0.00 N ATOM 407 CA ASP A 29 6.564 10.034 7.171 1.00 0.00 C ATOM 408 C ASP A 29 7.611 11.141 7.088 1.00 0.00 C ATOM 409 O ASP A 29 7.275 12.323 7.031 1.00 0.00 O ATOM 410 CB ASP A 29 6.047 9.909 8.606 1.00 0.00 C ATOM 411 CG ASP A 29 5.015 10.966 8.943 1.00 0.00 C ATOM 412 OD1 ASP A 29 5.186 12.123 8.507 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.036 10.637 9.645 1.00 0.00 O ATOM 0 H ASP A 29 7.233 8.067 7.456 1.00 0.00 H new ATOM 0 HA ASP A 29 5.733 10.295 6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.610 8.921 8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.884 9.989 9.299 1.00 0.00 H new ATOM 418 N ASN A 30 8.880 10.748 7.085 1.00 0.00 N ATOM 419 CA ASN A 30 9.977 11.707 7.012 1.00 0.00 C ATOM 420 C ASN A 30 10.128 12.252 5.595 1.00 0.00 C ATOM 421 O ASN A 30 10.429 13.430 5.400 1.00 0.00 O ATOM 422 CB ASN A 30 11.285 11.054 7.461 1.00 0.00 C ATOM 423 CG ASN A 30 11.515 11.189 8.954 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.654 11.680 9.684 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.681 10.752 9.415 1.00 0.00 N ATOM 0 H ASN A 30 9.175 9.773 7.132 1.00 0.00 H new ATOM 0 HA ASN A 30 9.746 12.537 7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.272 9.998 7.192 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.118 11.509 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.892 10.816 10.411 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.366 10.352 8.773 1.00 0.00 H new ATOM 432 N LEU A 31 9.918 11.387 4.608 1.00 0.00 N ATOM 433 CA LEU A 31 10.030 11.781 3.208 1.00 0.00 C ATOM 434 C LEU A 31 8.684 12.247 2.664 1.00 0.00 C ATOM 435 O LEU A 31 8.622 13.105 1.783 1.00 0.00 O ATOM 436 CB LEU A 31 10.556 10.614 2.371 1.00 0.00 C ATOM 437 CG LEU A 31 9.540 9.526 2.022 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.851 9.842 0.703 1.00 0.00 C ATOM 439 CD2 LEU A 31 10.216 8.164 1.960 1.00 0.00 C ATOM 0 H LEU A 31 9.669 10.408 4.752 1.00 0.00 H new ATOM 0 HA LEU A 31 10.733 12.612 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.963 11.014 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.383 10.151 2.909 1.00 0.00 H new ATOM 0 HG LEU A 31 8.783 9.498 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.132 9.057 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.332 10.797 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.595 9.899 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.477 7.402 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.994 8.179 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.661 7.934 2.928 1.00 0.00 H new ATOM 451 N LEU A 32 7.608 11.676 3.196 1.00 0.00 N ATOM 452 CA LEU A 32 6.261 12.035 2.764 1.00 0.00 C ATOM 453 C LEU A 32 5.875 13.418 3.278 1.00 0.00 C ATOM 454 O LEU A 32 5.386 14.260 2.522 1.00 0.00 O ATOM 455 CB LEU A 32 5.253 10.995 3.258 1.00 0.00 C ATOM 456 CG LEU A 32 5.131 9.726 2.416 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.996 8.852 2.928 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.919 10.076 0.950 1.00 0.00 C ATOM 0 H LEU A 32 7.642 10.964 3.926 1.00 0.00 H new ATOM 0 HA LEU A 32 6.248 12.056 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.525 10.708 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.272 11.467 3.312 1.00 0.00 H new ATOM 0 HG LEU A 32 6.061 9.165 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.925 7.953 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.191 8.572 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.058 9.404 2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.834 9.160 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.005 10.660 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.766 10.659 0.589 1.00 0.00 H new ATOM 470 N LYS A 33 6.099 13.649 4.566 1.00 0.00 N ATOM 471 CA LYS A 33 5.778 14.932 5.182 1.00 0.00 C ATOM 472 C LYS A 33 6.124 16.086 4.246 1.00 0.00 C ATOM 473 O LYS A 33 5.367 17.050 4.127 1.00 0.00 O ATOM 474 CB LYS A 33 6.533 15.090 6.504 1.00 0.00 C ATOM 475 CG LYS A 33 8.044 15.090 6.346 1.00 0.00 C ATOM 476 CD LYS A 33 8.746 15.182 7.690 1.00 0.00 C ATOM 477 CE LYS A 33 8.749 16.608 8.219 1.00 0.00 C ATOM 478 NZ LYS A 33 9.855 17.415 7.633 1.00 0.00 N ATOM 0 H LYS A 33 6.502 12.964 5.205 1.00 0.00 H new ATOM 0 HA LYS A 33 4.706 14.955 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.226 16.022 6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.246 14.281 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.357 14.181 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.345 15.929 5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.250 14.528 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.772 14.827 7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.794 17.082 7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.847 16.592 9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.823 18.380 8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.768 16.977 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.748 17.452 6.599 1.00 0.00 H new ATOM 492 N SER A 34 7.271 15.980 3.583 1.00 0.00 N ATOM 493 CA SER A 34 7.717 17.016 2.658 1.00 0.00 C ATOM 494 C SER A 34 6.937 16.950 1.350 1.00 0.00 C ATOM 495 O SER A 34 6.575 17.978 0.776 1.00 0.00 O ATOM 496 CB SER A 34 9.215 16.871 2.382 1.00 0.00 C ATOM 497 OG SER A 34 9.984 17.352 3.469 1.00 0.00 O ATOM 0 H SER A 34 7.908 15.188 3.669 1.00 0.00 H new ATOM 0 HA SER A 34 7.532 17.986 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.454 15.823 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.476 17.420 1.477 1.00 0.00 H new ATOM 0 HG SER A 34 10.937 17.246 3.268 1.00 0.00 H new ATOM 503 N HIS A 35 6.682 15.732 0.881 1.00 0.00 N ATOM 504 CA HIS A 35 5.944 15.529 -0.360 1.00 0.00 C ATOM 505 C HIS A 35 4.669 16.367 -0.378 1.00 0.00 C ATOM 506 O HIS A 35 4.362 17.068 0.586 1.00 0.00 O ATOM 507 CB HIS A 35 5.599 14.051 -0.539 1.00 0.00 C ATOM 508 CG HIS A 35 6.625 13.286 -1.316 1.00 0.00 C ATOM 509 ND1 HIS A 35 7.159 13.737 -2.505 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.216 12.093 -1.070 1.00 0.00 C ATOM 511 CE1 HIS A 35 8.033 12.855 -2.956 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.087 11.849 -2.103 1.00 0.00 N ATOM 0 H HIS A 35 6.976 14.871 1.342 1.00 0.00 H new ATOM 0 HA HIS A 35 6.579 15.848 -1.186 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.482 13.592 0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.637 13.970 -1.045 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.917 14.615 -2.965 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.036 11.452 -0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.606 12.942 -3.867 1.00 0.00 H new ATOM 521 N ALA A 36 3.930 16.290 -1.480 1.00 0.00 N ATOM 522 CA ALA A 36 2.688 17.040 -1.622 1.00 0.00 C ATOM 523 C ALA A 36 1.534 16.324 -0.930 1.00 0.00 C ATOM 524 O ALA A 36 1.726 15.293 -0.287 1.00 0.00 O ATOM 525 CB ALA A 36 2.370 17.260 -3.093 1.00 0.00 C ATOM 0 H ALA A 36 4.170 15.715 -2.288 1.00 0.00 H new ATOM 0 HA ALA A 36 2.820 18.010 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.440 17.821 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.180 17.821 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.262 16.296 -3.590 1.00 0.00 H new ATOM 531 N SER A 37 0.333 16.878 -1.066 1.00 0.00 N ATOM 532 CA SER A 37 -0.853 16.295 -0.450 1.00 0.00 C ATOM 533 C SER A 37 -1.495 15.266 -1.375 1.00 0.00 C ATOM 534 O SER A 37 -2.718 15.146 -1.435 1.00 0.00 O ATOM 535 CB SER A 37 -1.865 17.389 -0.106 1.00 0.00 C ATOM 536 OG SER A 37 -1.532 18.024 1.118 1.00 0.00 O ATOM 0 H SER A 37 0.156 17.730 -1.598 1.00 0.00 H new ATOM 0 HA SER A 37 -0.546 15.792 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.893 18.128 -0.907 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.863 16.957 -0.036 1.00 0.00 H new ATOM 0 HG SER A 37 -2.193 18.721 1.315 1.00 0.00 H new ATOM 542 N GLY A 38 -0.660 14.526 -2.097 1.00 0.00 N ATOM 543 CA GLY A 38 -1.163 13.516 -3.010 1.00 0.00 C ATOM 544 C GLY A 38 -0.153 12.416 -3.273 1.00 0.00 C ATOM 545 O GLY A 38 -0.302 11.637 -4.215 1.00 0.00 O ATOM 0 H GLY A 38 0.356 14.608 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.072 13.079 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.436 13.988 -3.954 1.00 0.00 H new ATOM 549 N THR A 39 0.880 12.352 -2.439 1.00 0.00 N ATOM 550 CA THR A 39 1.921 11.342 -2.588 1.00 0.00 C ATOM 551 C THR A 39 1.527 10.042 -1.896 1.00 0.00 C ATOM 552 O THR A 39 1.384 9.997 -0.673 1.00 0.00 O ATOM 553 CB THR A 39 3.264 11.831 -2.013 1.00 0.00 C ATOM 554 OG1 THR A 39 3.792 12.883 -2.828 1.00 0.00 O ATOM 555 CG2 THR A 39 4.267 10.690 -1.937 1.00 0.00 C ATOM 0 H THR A 39 1.018 12.988 -1.653 1.00 0.00 H new ATOM 0 HA THR A 39 2.037 11.161 -3.657 1.00 0.00 H new ATOM 0 HB THR A 39 3.087 12.207 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.667 12.617 -3.179 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.208 11.059 -1.528 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.875 9.903 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.438 10.289 -2.936 1.00 0.00 H new ATOM 563 N TYR A 40 1.356 8.987 -2.683 1.00 0.00 N ATOM 564 CA TYR A 40 0.978 7.685 -2.145 1.00 0.00 C ATOM 565 C TYR A 40 2.077 6.656 -2.387 1.00 0.00 C ATOM 566 O TYR A 40 2.962 6.858 -3.219 1.00 0.00 O ATOM 567 CB TYR A 40 -0.331 7.209 -2.780 1.00 0.00 C ATOM 568 CG TYR A 40 -0.171 6.718 -4.200 1.00 0.00 C ATOM 569 CD1 TYR A 40 -0.074 7.612 -5.259 1.00 0.00 C ATOM 570 CD2 TYR A 40 -0.115 5.359 -4.484 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.071 7.167 -6.558 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.030 4.904 -5.780 1.00 0.00 C ATOM 573 CZ TYR A 40 0.123 5.813 -6.814 1.00 0.00 C ATOM 574 OH TYR A 40 0.269 5.366 -8.108 1.00 0.00 O ATOM 0 H TYR A 40 1.473 9.007 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 40 0.836 7.791 -1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.749 6.407 -2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.050 8.028 -2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.113 8.673 -5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.186 4.645 -3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.143 7.876 -7.370 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.070 3.844 -5.983 1.00 0.00 H new ATOM 0 HH TYR A 40 0.870 4.592 -8.121 1.00 0.00 H new ATOM 584 N LEU A 41 2.014 5.550 -1.653 1.00 0.00 N ATOM 585 CA LEU A 41 3.004 4.486 -1.787 1.00 0.00 C ATOM 586 C LEU A 41 2.586 3.252 -0.993 1.00 0.00 C ATOM 587 O LEU A 41 1.628 3.294 -0.221 1.00 0.00 O ATOM 588 CB LEU A 41 4.372 4.973 -1.310 1.00 0.00 C ATOM 589 CG LEU A 41 4.690 4.745 0.168 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.177 3.322 0.395 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.726 5.748 0.653 1.00 0.00 C ATOM 0 H LEU A 41 1.289 5.367 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 41 3.069 4.214 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.139 4.479 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.447 6.041 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 41 3.776 4.892 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.399 3.178 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.403 2.619 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.079 3.148 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.939 5.570 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.642 5.634 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.340 6.760 0.527 1.00 0.00 H new ATOM 603 N ILE A 42 3.312 2.157 -1.188 1.00 0.00 N ATOM 604 CA ILE A 42 3.019 0.912 -0.488 1.00 0.00 C ATOM 605 C ILE A 42 4.298 0.243 0.002 1.00 0.00 C ATOM 606 O ILE A 42 5.216 -0.012 -0.779 1.00 0.00 O ATOM 607 CB ILE A 42 2.250 -0.073 -1.389 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.807 0.399 -1.582 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.280 -1.472 -0.791 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.620 1.291 -2.789 1.00 0.00 C ATOM 0 H ILE A 42 4.107 2.106 -1.825 1.00 0.00 H new ATOM 0 HA ILE A 42 2.396 1.170 0.368 1.00 0.00 H new ATOM 0 HB ILE A 42 2.736 -0.106 -2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.158 -0.472 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.487 0.937 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.733 -2.156 -1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.313 -1.807 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.816 -1.456 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.426 1.587 -2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.242 2.180 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.909 0.750 -3.690 1.00 0.00 H new ATOM 622 N ARG A 43 4.352 -0.042 1.299 1.00 0.00 N ATOM 623 CA ARG A 43 5.519 -0.682 1.893 1.00 0.00 C ATOM 624 C ARG A 43 5.100 -1.812 2.831 1.00 0.00 C ATOM 625 O ARG A 43 3.915 -1.989 3.115 1.00 0.00 O ATOM 626 CB ARG A 43 6.357 0.344 2.657 1.00 0.00 C ATOM 627 CG ARG A 43 5.925 0.530 4.102 1.00 0.00 C ATOM 628 CD ARG A 43 6.183 1.949 4.583 1.00 0.00 C ATOM 629 NE ARG A 43 5.442 2.257 5.803 1.00 0.00 N ATOM 630 CZ ARG A 43 4.117 2.327 5.860 1.00 0.00 C ATOM 631 NH1 ARG A 43 3.391 2.112 4.772 1.00 0.00 N ATOM 632 NH2 ARG A 43 3.515 2.613 7.008 1.00 0.00 N ATOM 0 H ARG A 43 3.601 0.160 1.959 1.00 0.00 H new ATOM 0 HA ARG A 43 6.120 -1.104 1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.402 0.035 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.298 1.303 2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.864 0.300 4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.463 -0.174 4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.250 2.082 4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.902 2.654 3.800 1.00 0.00 H new ATOM 0 HE ARG A 43 5.971 2.428 6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.850 1.892 3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.374 2.166 4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.070 2.779 7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.497 2.667 7.051 1.00 0.00 H new ATOM 646 N GLU A 44 6.081 -2.573 3.307 1.00 0.00 N ATOM 647 CA GLU A 44 5.812 -3.685 4.211 1.00 0.00 C ATOM 648 C GLU A 44 6.175 -3.319 5.648 1.00 0.00 C ATOM 649 O GLU A 44 7.347 -3.322 6.023 1.00 0.00 O ATOM 650 CB GLU A 44 6.597 -4.925 3.776 1.00 0.00 C ATOM 651 CG GLU A 44 6.765 -5.957 4.878 1.00 0.00 C ATOM 652 CD GLU A 44 7.518 -7.188 4.415 1.00 0.00 C ATOM 653 OE1 GLU A 44 7.545 -7.443 3.193 1.00 0.00 O ATOM 654 OE2 GLU A 44 8.082 -7.897 5.275 1.00 0.00 O ATOM 0 H GLU A 44 7.067 -2.440 3.082 1.00 0.00 H new ATOM 0 HA GLU A 44 4.745 -3.904 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.088 -5.388 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.582 -4.617 3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.296 -5.505 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.783 -6.254 5.246 1.00 0.00 H new ATOM 749 N ARG A 51 1.427 -7.712 6.314 1.00 0.00 N ATOM 750 CA ARG A 51 2.584 -7.816 5.433 1.00 0.00 C ATOM 751 C ARG A 51 2.703 -6.583 4.544 1.00 0.00 C ATOM 752 O ARG A 51 3.803 -6.094 4.285 1.00 0.00 O ATOM 753 CB ARG A 51 2.483 -9.074 4.569 1.00 0.00 C ATOM 754 CG ARG A 51 3.766 -9.407 3.827 1.00 0.00 C ATOM 755 CD ARG A 51 3.731 -10.819 3.260 1.00 0.00 C ATOM 756 NE ARG A 51 4.875 -11.090 2.395 1.00 0.00 N ATOM 757 CZ ARG A 51 5.088 -12.259 1.801 1.00 0.00 C ATOM 758 NH1 ARG A 51 4.236 -13.260 1.978 1.00 0.00 N ATOM 759 NH2 ARG A 51 6.152 -12.428 1.028 1.00 0.00 N ATOM 0 HA ARG A 51 3.477 -7.882 6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.210 -9.918 5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.678 -8.944 3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.916 -8.692 3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.615 -9.306 4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.717 -11.538 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.809 -10.960 2.696 1.00 0.00 H new ATOM 0 HE ARG A 51 5.548 -10.340 2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.416 -13.133 2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.401 -14.157 1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.808 -11.660 0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.314 -13.326 0.573 1.00 0.00 H new ATOM 773 N PHE A 52 1.563 -6.083 4.078 1.00 0.00 N ATOM 774 CA PHE A 52 1.539 -4.907 3.216 1.00 0.00 C ATOM 775 C PHE A 52 0.928 -3.713 3.942 1.00 0.00 C ATOM 776 O PHE A 52 0.071 -3.872 4.811 1.00 0.00 O ATOM 777 CB PHE A 52 0.748 -5.201 1.939 1.00 0.00 C ATOM 778 CG PHE A 52 1.569 -5.848 0.861 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.696 -6.588 1.180 1.00 0.00 C ATOM 780 CD2 PHE A 52 1.215 -5.716 -0.473 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.454 -7.185 0.190 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.969 -6.311 -1.466 1.00 0.00 C ATOM 783 CZ PHE A 52 3.090 -7.045 -1.135 1.00 0.00 C ATOM 0 H PHE A 52 0.644 -6.474 4.283 1.00 0.00 H new ATOM 0 HA PHE A 52 2.567 -4.661 2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.093 -5.850 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.331 -4.269 1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.986 -6.700 2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.340 -5.142 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.330 -7.760 0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.681 -6.202 -2.501 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.681 -7.509 -1.911 1.00 0.00 H new ATOM 793 N ALA A 53 1.377 -2.515 3.580 1.00 0.00 N ATOM 794 CA ALA A 53 0.874 -1.293 4.195 1.00 0.00 C ATOM 795 C ALA A 53 0.926 -0.125 3.217 1.00 0.00 C ATOM 796 O ALA A 53 1.986 0.203 2.683 1.00 0.00 O ATOM 797 CB ALA A 53 1.669 -0.969 5.451 1.00 0.00 C ATOM 0 H ALA A 53 2.088 -2.365 2.864 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.168 -1.456 4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.283 -0.054 5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.576 -1.790 6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.719 -0.831 5.192 1.00 0.00 H new ATOM 803 N ILE A 54 -0.224 0.500 2.986 1.00 0.00 N ATOM 804 CA ILE A 54 -0.308 1.632 2.072 1.00 0.00 C ATOM 805 C ILE A 54 -0.218 2.955 2.826 1.00 0.00 C ATOM 806 O ILE A 54 -1.012 3.223 3.728 1.00 0.00 O ATOM 807 CB ILE A 54 -1.616 1.605 1.260 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.858 0.207 0.689 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.568 2.638 0.145 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.272 -0.009 0.196 1.00 0.00 C ATOM 0 H ILE A 54 -1.110 0.241 3.419 1.00 0.00 H new ATOM 0 HA ILE A 54 0.536 1.548 1.388 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.444 1.854 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.165 0.035 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.632 -0.534 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.500 2.607 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.437 3.631 0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.733 2.417 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.370 -1.022 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.970 0.131 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.495 0.708 -0.594 1.00 0.00 H new ATOM 822 N SER A 55 0.753 3.780 2.449 1.00 0.00 N ATOM 823 CA SER A 55 0.948 5.074 3.091 1.00 0.00 C ATOM 824 C SER A 55 0.755 6.211 2.091 1.00 0.00 C ATOM 825 O SER A 55 1.394 6.243 1.040 1.00 0.00 O ATOM 826 CB SER A 55 2.346 5.157 3.707 1.00 0.00 C ATOM 827 OG SER A 55 2.452 6.263 4.587 1.00 0.00 O ATOM 0 H SER A 55 1.417 3.575 1.702 1.00 0.00 H new ATOM 0 HA SER A 55 0.203 5.175 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.563 4.236 4.248 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.091 5.245 2.916 1.00 0.00 H new ATOM 0 HG SER A 55 1.698 6.256 5.213 1.00 0.00 H new ATOM 833 N ILE A 56 -0.133 7.141 2.428 1.00 0.00 N ATOM 834 CA ILE A 56 -0.411 8.280 1.561 1.00 0.00 C ATOM 835 C ILE A 56 -0.360 9.590 2.341 1.00 0.00 C ATOM 836 O ILE A 56 -0.773 9.652 3.499 1.00 0.00 O ATOM 837 CB ILE A 56 -1.790 8.150 0.887 1.00 0.00 C ATOM 838 CG1 ILE A 56 -1.937 6.773 0.239 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.979 9.250 -0.146 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.513 5.726 1.167 1.00 0.00 C ATOM 0 H ILE A 56 -0.672 7.128 3.294 1.00 0.00 H new ATOM 0 HA ILE A 56 0.361 8.288 0.792 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.562 8.256 1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.577 6.860 -0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.960 6.439 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.958 9.145 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.912 10.223 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.203 9.172 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.589 4.775 0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.862 5.610 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.504 6.038 1.497 1.00 0.00 H new ATOM 852 N LYS A 57 0.147 10.635 1.697 1.00 0.00 N ATOM 853 CA LYS A 57 0.251 11.946 2.328 1.00 0.00 C ATOM 854 C LYS A 57 -0.910 12.843 1.908 1.00 0.00 C ATOM 855 O LYS A 57 -0.910 13.403 0.812 1.00 0.00 O ATOM 856 CB LYS A 57 1.580 12.608 1.960 1.00 0.00 C ATOM 857 CG LYS A 57 1.745 14.004 2.537 1.00 0.00 C ATOM 858 CD LYS A 57 1.965 13.964 4.040 1.00 0.00 C ATOM 859 CE LYS A 57 1.542 15.268 4.700 1.00 0.00 C ATOM 860 NZ LYS A 57 2.567 16.334 4.527 1.00 0.00 N ATOM 0 H LYS A 57 0.493 10.600 0.738 1.00 0.00 H new ATOM 0 HA LYS A 57 0.209 11.807 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.399 11.980 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.662 12.661 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.590 14.499 2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.859 14.598 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.399 13.137 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.017 13.773 4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.596 15.601 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.370 15.098 5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.875 16.675 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.385 15.949 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.159 17.124 3.988 1.00 0.00 H new ATOM 874 N PHE A 58 -1.896 12.978 2.789 1.00 0.00 N ATOM 875 CA PHE A 58 -3.061 13.809 2.510 1.00 0.00 C ATOM 876 C PHE A 58 -3.486 14.585 3.753 1.00 0.00 C ATOM 877 O PHE A 58 -3.579 14.025 4.846 1.00 0.00 O ATOM 878 CB PHE A 58 -4.222 12.945 2.012 1.00 0.00 C ATOM 879 CG PHE A 58 -5.561 13.616 2.127 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.296 13.531 3.298 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.085 14.334 1.063 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.528 14.148 3.406 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.316 14.953 1.165 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.038 14.860 2.339 1.00 0.00 C ATOM 0 H PHE A 58 -1.911 12.523 3.702 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.789 14.523 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.046 12.680 0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.241 12.014 2.579 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.902 12.976 4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.524 14.410 0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.091 14.073 4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.713 15.509 0.328 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.000 15.344 2.422 1.00 0.00 H new ATOM 894 N ASN A 59 -3.743 15.877 3.579 1.00 0.00 N ATOM 895 CA ASN A 59 -4.157 16.731 4.686 1.00 0.00 C ATOM 896 C ASN A 59 -2.978 17.044 5.601 1.00 0.00 C ATOM 897 O ASN A 59 -3.147 17.231 6.806 1.00 0.00 O ATOM 898 CB ASN A 59 -5.275 16.058 5.486 1.00 0.00 C ATOM 899 CG ASN A 59 -6.201 17.063 6.142 1.00 0.00 C ATOM 900 OD1 ASN A 59 -6.809 17.896 5.470 1.00 0.00 O ATOM 901 ND2 ASN A 59 -6.314 16.988 7.463 1.00 0.00 N ATOM 0 H ASN A 59 -3.672 16.356 2.681 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.530 17.667 4.271 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.853 15.413 4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.836 15.419 6.252 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.924 17.637 7.960 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.791 16.281 7.980 1.00 0.00 H new ATOM 908 N ASP A 60 -1.785 17.102 5.020 1.00 0.00 N ATOM 909 CA ASP A 60 -0.576 17.395 5.783 1.00 0.00 C ATOM 910 C ASP A 60 -0.351 16.346 6.867 1.00 0.00 C ATOM 911 O ASP A 60 0.198 16.643 7.928 1.00 0.00 O ATOM 912 CB ASP A 60 -0.670 18.785 6.414 1.00 0.00 C ATOM 913 CG ASP A 60 0.692 19.370 6.731 1.00 0.00 C ATOM 914 OD1 ASP A 60 1.608 19.229 5.894 1.00 0.00 O ATOM 915 OD2 ASP A 60 0.841 19.969 7.816 1.00 0.00 O ATOM 0 H ASP A 60 -1.628 16.950 4.024 1.00 0.00 H new ATOM 0 HA ASP A 60 0.271 17.372 5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.200 19.454 5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.259 18.726 7.329 1.00 0.00 H new ATOM 920 N GLU A 61 -0.777 15.117 6.592 1.00 0.00 N ATOM 921 CA GLU A 61 -0.623 14.024 7.546 1.00 0.00 C ATOM 922 C GLU A 61 -0.479 12.688 6.822 1.00 0.00 C ATOM 923 O GLU A 61 -1.294 12.342 5.967 1.00 0.00 O ATOM 924 CB GLU A 61 -1.820 13.975 8.497 1.00 0.00 C ATOM 925 CG GLU A 61 -1.660 14.861 9.721 1.00 0.00 C ATOM 926 CD GLU A 61 -2.979 15.141 10.415 1.00 0.00 C ATOM 927 OE1 GLU A 61 -3.364 14.347 11.299 1.00 0.00 O ATOM 928 OE2 GLU A 61 -3.627 16.153 10.073 1.00 0.00 O ATOM 0 H GLU A 61 -1.231 14.853 5.718 1.00 0.00 H new ATOM 0 HA GLU A 61 0.283 14.205 8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.717 14.276 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.974 12.946 8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.978 14.383 10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.202 15.805 9.424 1.00 0.00 H new ATOM 935 N VAL A 62 0.564 11.941 7.173 1.00 0.00 N ATOM 936 CA VAL A 62 0.815 10.643 6.558 1.00 0.00 C ATOM 937 C VAL A 62 -0.063 9.562 7.179 1.00 0.00 C ATOM 938 O VAL A 62 0.105 9.202 8.345 1.00 0.00 O ATOM 939 CB VAL A 62 2.293 10.233 6.700 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.514 8.835 6.144 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.195 11.241 6.006 1.00 0.00 C ATOM 0 H VAL A 62 1.248 12.213 7.879 1.00 0.00 H new ATOM 0 HA VAL A 62 0.572 10.741 5.500 1.00 0.00 H new ATOM 0 HB VAL A 62 2.549 10.222 7.759 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.564 8.562 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.895 8.124 6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.241 8.816 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.235 10.935 6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.941 11.288 4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.056 12.224 6.456 1.00 0.00 H new ATOM 951 N LYS A 63 -1.002 9.048 6.392 1.00 0.00 N ATOM 952 CA LYS A 63 -1.908 8.006 6.862 1.00 0.00 C ATOM 953 C LYS A 63 -1.397 6.623 6.468 1.00 0.00 C ATOM 954 O LYS A 63 -1.069 6.379 5.307 1.00 0.00 O ATOM 955 CB LYS A 63 -3.310 8.224 6.291 1.00 0.00 C ATOM 956 CG LYS A 63 -4.155 9.189 7.105 1.00 0.00 C ATOM 957 CD LYS A 63 -3.697 10.626 6.919 1.00 0.00 C ATOM 958 CE LYS A 63 -4.802 11.612 7.267 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.838 11.911 8.726 1.00 0.00 N ATOM 0 H LYS A 63 -1.156 9.336 5.426 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.953 8.062 7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.224 8.601 5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.823 7.264 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.200 9.098 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.099 8.922 8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.827 10.816 7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.384 10.778 5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.652 12.537 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.764 11.205 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.771 12.295 8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.666 11.038 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.103 12.610 8.955 1.00 0.00 H new ATOM 973 N HIS A 64 -1.335 5.721 7.443 1.00 0.00 N ATOM 974 CA HIS A 64 -0.866 4.362 7.197 1.00 0.00 C ATOM 975 C HIS A 64 -2.025 3.371 7.248 1.00 0.00 C ATOM 976 O HIS A 64 -2.584 3.108 8.313 1.00 0.00 O ATOM 977 CB HIS A 64 0.198 3.973 8.224 1.00 0.00 C ATOM 978 CG HIS A 64 1.416 4.844 8.184 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.273 4.891 7.105 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.917 5.707 9.099 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.250 5.743 7.358 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.056 6.253 8.562 1.00 0.00 N ATOM 0 H HIS A 64 -1.603 5.907 8.409 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.426 4.330 6.200 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.238 4.018 9.222 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.495 2.938 8.053 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.498 5.925 10.070 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.068 5.982 6.694 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.656 6.941 9.018 1.00 0.00 H new ATOM 991 N ILE A 65 -2.380 2.824 6.089 1.00 0.00 N ATOM 992 CA ILE A 65 -3.472 1.862 6.002 1.00 0.00 C ATOM 993 C ILE A 65 -2.941 0.440 5.862 1.00 0.00 C ATOM 994 O ILE A 65 -2.489 0.037 4.790 1.00 0.00 O ATOM 995 CB ILE A 65 -4.401 2.171 4.813 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.850 3.633 4.855 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.604 1.241 4.827 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.169 4.206 3.491 1.00 0.00 C ATOM 0 H ILE A 65 -1.927 3.031 5.199 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.041 1.945 6.928 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.850 2.007 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.732 3.716 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.066 4.232 5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.252 1.471 3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.266 0.207 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.158 1.377 5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.480 5.245 3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.283 4.155 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.974 3.631 3.034 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.000 -0.319 6.952 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.528 -1.698 6.951 1.00 0.00 C ATOM 1012 C LYS A 66 -3.285 -2.532 5.922 1.00 0.00 C ATOM 1013 O LYS A 66 -4.467 -2.297 5.666 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.692 -2.315 8.342 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.113 -2.750 8.651 1.00 0.00 C ATOM 1016 CD LYS A 66 -4.967 -1.580 9.111 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.797 -1.013 7.968 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.986 -0.267 8.464 1.00 0.00 N ATOM 0 H LYS A 66 -3.371 -0.001 7.848 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.471 -1.694 6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.030 -3.177 8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.372 -1.591 9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.558 -3.200 7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.099 -3.518 9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.627 -1.904 9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.326 -0.799 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.178 -0.350 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.123 -1.825 7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.525 0.104 7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.590 -0.906 9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.675 0.523 9.064 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.597 -3.506 5.335 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.205 -4.376 4.336 1.00 0.00 C ATOM 1034 C VAL A 67 -3.313 -5.808 4.846 1.00 0.00 C ATOM 1035 O VAL A 67 -2.326 -6.397 5.288 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.402 -4.369 3.021 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.092 -5.222 1.968 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.209 -2.945 2.522 1.00 0.00 C ATOM 0 H VAL A 67 -1.618 -3.712 5.534 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.205 -3.986 4.144 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.419 -4.799 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.510 -5.204 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.173 -6.248 2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.089 -4.826 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.640 -2.959 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.182 -2.487 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.667 -2.367 3.271 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.518 -6.366 4.780 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.754 -7.731 5.234 1.00 0.00 C ATOM 1050 C VAL A 68 -4.704 -8.714 4.070 1.00 0.00 C ATOM 1051 O VAL A 68 -5.320 -8.488 3.029 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.117 -7.859 5.942 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.401 -9.311 6.293 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.155 -6.984 7.185 1.00 0.00 C ATOM 0 H VAL A 68 -5.346 -5.893 4.416 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.961 -7.971 5.942 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.895 -7.516 5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.367 -9.382 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.418 -9.909 5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.621 -9.684 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.124 -7.086 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.368 -7.294 7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.999 -5.943 6.902 1.00 0.00 H new ATOM 1064 N GLU A 69 -3.967 -9.804 4.254 1.00 0.00 N ATOM 1065 CA GLU A 69 -3.836 -10.821 3.217 1.00 0.00 C ATOM 1066 C GLU A 69 -4.293 -12.184 3.732 1.00 0.00 C ATOM 1067 O GLU A 69 -3.569 -12.859 4.464 1.00 0.00 O ATOM 1068 CB GLU A 69 -2.387 -10.906 2.735 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.058 -9.926 1.622 1.00 0.00 C ATOM 1070 CD GLU A 69 -0.565 -9.729 1.440 1.00 0.00 C ATOM 1071 OE1 GLU A 69 0.183 -9.937 2.418 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -0.146 -9.366 0.322 1.00 0.00 O ATOM 0 H GLU A 69 -3.452 -10.006 5.111 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.473 -10.535 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.721 -10.722 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.188 -11.919 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.490 -10.285 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.524 -8.965 1.840 1.00 0.00 H new ATOM 1079 N LYS A 70 -5.500 -12.581 3.344 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.056 -13.863 3.763 1.00 0.00 C ATOM 1081 C LYS A 70 -6.833 -14.517 2.626 1.00 0.00 C ATOM 1082 O LYS A 70 -7.523 -13.841 1.862 1.00 0.00 O ATOM 1083 CB LYS A 70 -6.969 -13.673 4.977 1.00 0.00 C ATOM 1084 CG LYS A 70 -7.739 -14.925 5.360 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.108 -14.961 4.702 1.00 0.00 C ATOM 1086 CE LYS A 70 -10.083 -14.018 5.391 1.00 0.00 C ATOM 1087 NZ LYS A 70 -11.208 -13.631 4.496 1.00 0.00 N ATOM 0 H LYS A 70 -6.113 -12.033 2.740 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.229 -14.518 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.367 -13.352 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.677 -12.871 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.170 -15.807 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.854 -14.966 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.015 -14.686 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.501 -15.977 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.480 -14.497 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.553 -13.123 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.850 -12.988 5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.832 -13.151 3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.729 -14.483 4.206 1.00 0.00 H new ATOM 1101 N ASP A 71 -6.719 -15.836 2.520 1.00 0.00 N ATOM 1102 CA ASP A 71 -7.414 -16.582 1.477 1.00 0.00 C ATOM 1103 C ASP A 71 -7.028 -16.070 0.093 1.00 0.00 C ATOM 1104 O ASP A 71 -7.870 -15.960 -0.796 1.00 0.00 O ATOM 1105 CB ASP A 71 -8.928 -16.478 1.668 1.00 0.00 C ATOM 1106 CG ASP A 71 -9.423 -17.311 2.835 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -8.596 -17.673 3.698 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -10.637 -17.597 2.886 1.00 0.00 O ATOM 0 H ASP A 71 -6.152 -16.411 3.143 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.117 -17.628 1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.200 -15.435 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.429 -16.801 0.756 1.00 0.00 H new ATOM 1113 N ASN A 72 -5.747 -15.759 -0.081 1.00 0.00 N ATOM 1114 CA ASN A 72 -5.249 -15.257 -1.356 1.00 0.00 C ATOM 1115 C ASN A 72 -5.999 -13.996 -1.775 1.00 0.00 C ATOM 1116 O ASN A 72 -6.203 -13.749 -2.963 1.00 0.00 O ATOM 1117 CB ASN A 72 -5.387 -16.329 -2.439 1.00 0.00 C ATOM 1118 CG ASN A 72 -4.657 -17.609 -2.081 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -4.236 -17.799 -0.940 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -4.502 -18.495 -3.059 1.00 0.00 N ATOM 0 H ASN A 72 -5.036 -15.846 0.645 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.195 -15.008 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.443 -16.548 -2.597 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.997 -15.943 -3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.018 -19.374 -2.878 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.867 -18.296 -3.990 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.405 -13.202 -0.791 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.132 -11.966 -1.057 1.00 0.00 C ATOM 1129 C TRP A 73 -6.485 -10.789 -0.336 1.00 0.00 C ATOM 1130 O TRP A 73 -5.880 -10.954 0.723 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.592 -12.105 -0.624 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.247 -13.353 -1.136 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -9.968 -14.257 -0.409 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -9.237 -13.835 -2.484 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -10.407 -15.272 -1.225 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -9.973 -15.036 -2.502 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -8.680 -13.369 -3.677 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -10.164 -15.773 -3.667 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -8.870 -14.102 -4.832 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -9.608 -15.293 -4.822 1.00 0.00 C ATOM 0 H TRP A 73 -6.243 -13.392 0.198 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.096 -11.776 -2.130 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.643 -12.097 0.465 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.152 -11.239 -0.976 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.164 -14.185 0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.966 -16.072 -0.927 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.111 -12.451 -3.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -10.731 -16.692 -3.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.442 -13.751 -5.759 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -9.741 -15.842 -5.742 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.619 -9.600 -0.915 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.048 -8.396 -0.325 1.00 0.00 C ATOM 1153 C ILE A 74 -7.102 -7.302 -0.180 1.00 0.00 C ATOM 1154 O ILE A 74 -7.817 -6.984 -1.130 1.00 0.00 O ATOM 1155 CB ILE A 74 -4.877 -7.856 -1.168 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.585 -8.597 -0.821 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -4.712 -6.359 -0.948 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -2.553 -8.561 -1.925 1.00 0.00 C ATOM 0 H ILE A 74 -7.118 -9.445 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.677 -8.674 0.662 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.099 -8.026 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.156 -8.160 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.822 -9.636 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.881 -5.992 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.627 -5.845 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.509 -6.166 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.663 -9.106 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.963 -9.025 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.287 -7.526 -2.141 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.190 -6.729 1.017 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.155 -5.669 1.286 1.00 0.00 C ATOM 1172 C HIS A 75 -7.840 -4.970 2.605 1.00 0.00 C ATOM 1173 O HIS A 75 -6.827 -5.258 3.244 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.574 -6.239 1.323 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.668 -7.567 2.011 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -9.820 -7.700 3.374 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -9.632 -8.825 1.512 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -9.872 -8.982 3.686 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -9.761 -9.686 2.574 1.00 0.00 N ATOM 0 H HIS A 75 -6.606 -6.981 1.814 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.087 -4.937 0.482 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.229 -5.530 1.829 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.943 -6.341 0.302 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.522 -9.100 0.473 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.986 -9.386 4.681 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.770 -10.704 2.514 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.712 -4.052 3.006 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.527 -3.314 4.249 1.00 0.00 C ATOM 1190 C ILE A 76 -9.851 -3.131 4.983 1.00 0.00 C ATOM 1191 O ILE A 76 -10.922 -3.182 4.378 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.900 -1.930 3.993 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.820 -1.084 3.110 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.530 -2.080 3.349 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.312 0.322 2.881 1.00 0.00 C ATOM 0 H ILE A 76 -9.554 -3.801 2.488 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.850 -3.903 4.868 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.777 -1.421 4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.942 -1.579 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.807 -1.035 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.100 -1.094 3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.877 -2.648 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.630 -2.605 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.014 0.864 2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.217 0.835 3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.338 0.282 2.393 1.00 0.00 H new ATOM 1207 N THR A 77 -9.770 -2.916 6.292 1.00 0.00 N ATOM 1208 CA THR A 77 -10.961 -2.726 7.111 1.00 0.00 C ATOM 1209 C THR A 77 -12.144 -3.507 6.550 1.00 0.00 C ATOM 1210 O THR A 77 -13.282 -3.041 6.594 1.00 0.00 O ATOM 1211 CB THR A 77 -11.343 -1.237 7.208 1.00 0.00 C ATOM 1212 OG1 THR A 77 -12.087 -0.999 8.408 1.00 0.00 O ATOM 1213 CG2 THR A 77 -12.165 -0.809 6.002 1.00 0.00 C ATOM 0 H THR A 77 -8.892 -2.869 6.808 1.00 0.00 H new ATOM 0 HA THR A 77 -10.723 -3.099 8.107 1.00 0.00 H new ATOM 0 HB THR A 77 -10.425 -0.650 7.228 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.892 -1.557 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.423 0.246 6.093 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.584 -0.963 5.093 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.078 -1.403 5.955 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.867 -4.696 6.023 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.910 -5.541 5.454 1.00 0.00 C ATOM 1223 C GLU A 78 -13.958 -4.699 4.732 1.00 0.00 C ATOM 1224 O GLU A 78 -15.155 -4.825 4.987 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.577 -6.373 6.551 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.684 -7.468 7.112 1.00 0.00 C ATOM 1227 CD GLU A 78 -13.325 -8.209 8.269 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -14.323 -8.923 8.036 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -12.830 -8.073 9.408 1.00 0.00 O ATOM 0 H GLU A 78 -10.929 -5.095 5.978 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.445 -6.211 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.881 -5.712 7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.485 -6.825 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.444 -8.177 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.743 -7.030 7.443 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.497 -3.838 3.829 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.393 -2.977 3.068 1.00 0.00 C ATOM 1238 C ALA A 79 -14.729 -3.593 1.714 1.00 0.00 C ATOM 1239 O ALA A 79 -15.842 -3.442 1.210 1.00 0.00 O ATOM 1240 CB ALA A 79 -13.772 -1.600 2.885 1.00 0.00 C ATOM 0 H ALA A 79 -12.508 -3.719 3.607 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.321 -2.873 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.452 -0.967 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.590 -1.150 3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.828 -1.695 2.348 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.759 -4.286 1.129 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.950 -4.927 -0.168 1.00 0.00 C ATOM 1248 C LYS A 80 -12.735 -5.768 -0.544 1.00 0.00 C ATOM 1249 O LYS A 80 -11.608 -5.273 -0.574 1.00 0.00 O ATOM 1250 CB LYS A 80 -14.207 -3.872 -1.247 1.00 0.00 C ATOM 1251 CG LYS A 80 -14.191 -4.431 -2.659 1.00 0.00 C ATOM 1252 CD LYS A 80 -15.576 -4.878 -3.097 1.00 0.00 C ATOM 1253 CE LYS A 80 -16.420 -3.702 -3.566 1.00 0.00 C ATOM 1254 NZ LYS A 80 -17.875 -4.009 -3.518 1.00 0.00 N ATOM 0 H LYS A 80 -12.831 -4.419 1.532 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.816 -5.585 -0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.173 -3.403 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.452 -3.090 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.818 -3.673 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.502 -5.274 -2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.486 -5.607 -3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.077 -5.379 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.211 -2.834 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.138 -3.437 -4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.415 -3.183 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.079 -4.822 -4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.150 -4.237 -2.541 1.00 0.00 H new ATOM 1268 N LYS A 81 -12.972 -7.043 -0.832 1.00 0.00 N ATOM 1269 CA LYS A 81 -11.898 -7.955 -1.209 1.00 0.00 C ATOM 1270 C LYS A 81 -11.485 -7.739 -2.661 1.00 0.00 C ATOM 1271 O LYS A 81 -12.332 -7.640 -3.549 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.337 -9.407 -1.003 1.00 0.00 C ATOM 1273 CG LYS A 81 -12.915 -10.050 -2.252 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.209 -9.378 -2.678 1.00 0.00 C ATOM 1275 CE LYS A 81 -15.418 -10.041 -2.037 1.00 0.00 C ATOM 1276 NZ LYS A 81 -15.803 -9.379 -0.760 1.00 0.00 N ATOM 0 H LYS A 81 -13.899 -7.469 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.039 -7.748 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.481 -9.992 -0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.082 -9.443 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.189 -9.990 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.098 -11.108 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.181 -8.324 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.302 -9.420 -3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.259 -10.010 -2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.199 -11.092 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.795 -9.602 -0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.191 -9.723 0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.692 -8.349 -0.856 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.179 -7.666 -2.896 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.655 -7.460 -4.241 1.00 0.00 C ATOM 1292 C PHE A 82 -8.701 -8.587 -4.630 1.00 0.00 C ATOM 1293 O PHE A 82 -7.981 -9.124 -3.788 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.935 -6.114 -4.331 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.868 -4.937 -4.373 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.655 -4.698 -5.488 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.959 -4.070 -3.295 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.513 -3.616 -5.528 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.817 -2.987 -3.329 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.595 -2.760 -4.447 1.00 0.00 C ATOM 0 H PHE A 82 -9.464 -7.746 -2.173 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.495 -7.461 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.269 -6.009 -3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.310 -6.104 -5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.597 -5.365 -6.335 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.352 -4.243 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.119 -3.439 -6.404 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.879 -2.319 -2.482 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.266 -1.915 -4.476 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.702 -8.940 -5.911 1.00 0.00 N ATOM 1311 CA ASP A 83 -7.838 -10.001 -6.413 1.00 0.00 C ATOM 1312 C ASP A 83 -6.449 -9.911 -5.788 1.00 0.00 C ATOM 1313 O ASP A 83 -5.826 -10.929 -5.488 1.00 0.00 O ATOM 1314 CB ASP A 83 -7.731 -9.923 -7.937 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.283 -11.234 -8.553 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -7.898 -12.276 -8.244 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -6.318 -11.217 -9.345 1.00 0.00 O ATOM 0 H ASP A 83 -9.292 -8.506 -6.621 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.281 -10.958 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.699 -9.641 -8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.026 -9.137 -8.209 1.00 0.00 H new ATOM 1322 N SER A 84 -5.970 -8.687 -5.596 1.00 0.00 N ATOM 1323 CA SER A 84 -4.652 -8.464 -5.012 1.00 0.00 C ATOM 1324 C SER A 84 -4.396 -6.975 -4.802 1.00 0.00 C ATOM 1325 O SER A 84 -5.277 -6.143 -5.027 1.00 0.00 O ATOM 1326 CB SER A 84 -3.566 -9.059 -5.909 1.00 0.00 C ATOM 1327 OG SER A 84 -3.299 -10.407 -5.562 1.00 0.00 O ATOM 0 H SER A 84 -6.475 -7.834 -5.836 1.00 0.00 H new ATOM 0 HA SER A 84 -4.623 -8.960 -4.042 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.880 -9.004 -6.951 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.653 -8.470 -5.820 1.00 0.00 H new ATOM 0 HG SER A 84 -4.133 -10.921 -5.582 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.184 -6.645 -4.370 1.00 0.00 N ATOM 1334 CA LEU A 85 -2.808 -5.256 -4.129 1.00 0.00 C ATOM 1335 C LEU A 85 -3.059 -4.402 -5.368 1.00 0.00 C ATOM 1336 O LEU A 85 -3.591 -3.295 -5.276 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.337 -5.167 -3.724 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.753 -3.758 -3.620 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.349 -3.018 -2.432 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.764 -3.816 -3.507 1.00 0.00 C ATOM 0 H LEU A 85 -2.444 -7.321 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.425 -4.875 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.216 -5.661 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.747 -5.731 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.010 -3.212 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.921 -2.017 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.430 -2.944 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.124 -3.562 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.162 -2.804 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.041 -4.380 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.176 -4.305 -4.390 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.672 -4.924 -6.527 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.857 -4.210 -7.786 1.00 0.00 C ATOM 1354 C LEU A 86 -4.298 -3.734 -7.937 1.00 0.00 C ATOM 1355 O LEU A 86 -4.550 -2.546 -8.136 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.481 -5.110 -8.965 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.501 -4.453 -10.345 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.590 -3.236 -10.371 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -2.092 -5.452 -11.418 1.00 0.00 C ATOM 0 H LEU A 86 -2.229 -5.838 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.204 -3.337 -7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.481 -5.507 -8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.164 -5.960 -8.979 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.519 -4.123 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.618 -2.782 -11.362 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.929 -2.512 -9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.569 -3.541 -10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.112 -4.967 -12.394 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.084 -5.814 -11.213 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.786 -6.292 -11.416 1.00 0.00 H new ATOM 1371 N GLU A 87 -5.239 -4.667 -7.837 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.654 -4.341 -7.960 1.00 0.00 C ATOM 1373 C GLU A 87 -7.057 -3.272 -6.946 1.00 0.00 C ATOM 1374 O GLU A 87 -7.670 -2.264 -7.300 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.509 -5.594 -7.763 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.791 -6.348 -9.052 1.00 0.00 C ATOM 1377 CD GLU A 87 -9.088 -7.131 -8.998 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.957 -6.785 -8.169 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -9.235 -8.090 -9.784 1.00 0.00 O ATOM 0 H GLU A 87 -5.047 -5.655 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.823 -3.949 -8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.004 -6.262 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.456 -5.309 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.832 -5.641 -9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.967 -7.031 -9.257 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.708 -3.501 -5.685 1.00 0.00 N ATOM 1387 CA LEU A 88 -7.033 -2.560 -4.619 1.00 0.00 C ATOM 1388 C LEU A 88 -6.460 -1.179 -4.920 1.00 0.00 C ATOM 1389 O LEU A 88 -7.106 -0.160 -4.672 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.492 -3.068 -3.281 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.626 -2.111 -2.096 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.563 -2.876 -0.783 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.542 -1.044 -2.146 1.00 0.00 C ATOM 0 H LEU A 88 -6.200 -4.330 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.118 -2.478 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.007 -3.996 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.437 -3.312 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.596 -1.618 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.660 -2.179 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.376 -3.601 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.608 -3.397 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.653 -0.372 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.562 -1.519 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.633 -0.475 -3.071 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.245 -1.151 -5.458 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.587 0.106 -5.797 1.00 0.00 C ATOM 1407 C VAL A 89 -5.329 0.831 -6.913 1.00 0.00 C ATOM 1408 O VAL A 89 -5.649 2.013 -6.792 1.00 0.00 O ATOM 1409 CB VAL A 89 -3.128 -0.125 -6.230 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.482 1.188 -6.648 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.337 -0.784 -5.109 1.00 0.00 C ATOM 0 H VAL A 89 -4.696 -1.984 -5.669 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.598 0.723 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.124 -0.796 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.451 1.006 -6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.036 1.616 -7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.496 1.884 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.308 -0.940 -5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.347 -0.140 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.789 -1.745 -4.861 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.600 0.115 -7.999 1.00 0.00 N ATOM 1422 CA GLU A 90 -6.303 0.692 -9.139 1.00 0.00 C ATOM 1423 C GLU A 90 -7.652 1.265 -8.711 1.00 0.00 C ATOM 1424 O GLU A 90 -8.054 2.337 -9.164 1.00 0.00 O ATOM 1425 CB GLU A 90 -6.508 -0.363 -10.228 1.00 0.00 C ATOM 1426 CG GLU A 90 -5.219 -0.794 -10.907 1.00 0.00 C ATOM 1427 CD GLU A 90 -5.436 -1.246 -12.337 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -6.320 -2.098 -12.565 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -4.722 -0.746 -13.232 1.00 0.00 O ATOM 0 H GLU A 90 -5.344 -0.866 -8.114 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.692 1.502 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.988 -1.238 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.191 0.031 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.512 0.035 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.767 -1.606 -10.338 1.00 0.00 H new ATOM 1436 N TYR A 91 -8.344 0.543 -7.836 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.649 0.977 -7.350 1.00 0.00 C ATOM 1438 C TYR A 91 -9.570 2.382 -6.761 1.00 0.00 C ATOM 1439 O TYR A 91 -10.344 3.266 -7.128 1.00 0.00 O ATOM 1440 CB TYR A 91 -10.174 -0.001 -6.298 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.652 0.148 -6.018 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.601 -0.339 -6.908 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -12.101 0.779 -4.863 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.953 -0.204 -6.658 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.452 0.916 -4.604 1.00 0.00 C ATOM 1446 CZ TYR A 91 -14.373 0.423 -5.504 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.718 0.560 -5.249 1.00 0.00 O ATOM 0 H TYR A 91 -8.023 -0.345 -7.449 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.337 0.995 -8.195 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.977 -1.020 -6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.620 0.144 -5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -12.276 -0.832 -7.812 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.383 1.168 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.677 -0.587 -7.362 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.784 1.407 -3.701 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.843 1.023 -4.395 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.628 2.580 -5.844 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.449 3.876 -5.201 1.00 0.00 C ATOM 1459 C TYR A 92 -7.789 4.869 -6.154 1.00 0.00 C ATOM 1460 O TYR A 92 -8.037 6.072 -6.081 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.603 3.728 -3.935 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.240 2.851 -2.881 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.601 2.927 -2.615 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.480 1.944 -2.152 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.187 2.127 -1.653 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -8.057 1.141 -1.189 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.410 1.236 -0.942 1.00 0.00 C ATOM 1468 OH TYR A 92 -9.990 0.436 0.017 1.00 0.00 O ATOM 0 H TYR A 92 -7.978 1.860 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.433 4.258 -4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.632 3.312 -4.203 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.421 4.716 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.212 3.624 -3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.420 1.866 -2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.247 2.199 -1.459 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.451 0.442 -0.632 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.375 -0.290 0.253 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.948 4.356 -7.045 1.00 0.00 N ATOM 1479 CA GLN A 93 -6.252 5.196 -8.012 1.00 0.00 C ATOM 1480 C GLN A 93 -7.224 6.142 -8.710 1.00 0.00 C ATOM 1481 O GLN A 93 -6.818 7.157 -9.277 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.531 4.331 -9.047 1.00 0.00 C ATOM 1483 CG GLN A 93 -4.224 3.740 -8.543 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.031 4.627 -8.839 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.132 5.853 -8.811 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.891 4.008 -9.126 1.00 0.00 N ATOM 0 H GLN A 93 -6.732 3.362 -7.118 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.516 5.793 -7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.192 3.520 -9.354 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.330 4.932 -9.934 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.294 3.578 -7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.070 2.764 -9.003 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.853 2.989 -9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.054 4.552 -9.335 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.507 5.802 -8.665 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.538 6.621 -9.294 1.00 0.00 C ATOM 1497 C CYS A 94 -10.630 6.983 -8.294 1.00 0.00 C ATOM 1498 O CYS A 94 -11.220 8.062 -8.367 1.00 0.00 O ATOM 1499 CB CYS A 94 -10.146 5.882 -10.487 1.00 0.00 C ATOM 1500 SG CYS A 94 -9.206 6.055 -12.021 1.00 0.00 S ATOM 0 H CYS A 94 -8.859 4.965 -8.200 1.00 0.00 H new ATOM 0 HA CYS A 94 -9.073 7.542 -9.645 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -10.228 4.823 -10.241 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -11.159 6.250 -10.651 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.799 5.393 -12.970 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.895 6.076 -7.360 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.918 6.301 -6.344 1.00 0.00 C ATOM 1508 C HIS A 95 -11.293 6.794 -5.043 1.00 0.00 C ATOM 1509 O HIS A 95 -10.333 6.208 -4.544 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.705 5.014 -6.090 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.893 4.175 -7.316 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.793 2.800 -7.309 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -13.179 4.524 -8.592 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -13.006 2.339 -8.528 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -13.244 3.365 -9.326 1.00 0.00 N ATOM 0 H HIS A 95 -10.416 5.178 -7.285 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.599 7.068 -6.712 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.188 4.425 -5.333 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.683 5.270 -5.682 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.587 2.228 -6.490 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -13.328 5.527 -8.964 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.989 1.300 -8.823 1.00 0.00 H new ATOM 1524 N SER A 96 -11.844 7.875 -4.500 1.00 0.00 N ATOM 1525 CA SER A 96 -11.336 8.450 -3.260 1.00 0.00 C ATOM 1526 C SER A 96 -11.334 7.412 -2.141 1.00 0.00 C ATOM 1527 O SER A 96 -12.076 6.430 -2.189 1.00 0.00 O ATOM 1528 CB SER A 96 -12.183 9.657 -2.849 1.00 0.00 C ATOM 1529 OG SER A 96 -11.916 10.035 -1.510 1.00 0.00 O ATOM 0 H SER A 96 -12.642 8.370 -4.899 1.00 0.00 H new ATOM 0 HA SER A 96 -10.310 8.776 -3.432 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.975 10.495 -3.515 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.241 9.417 -2.959 1.00 0.00 H new ATOM 0 HG SER A 96 -12.468 10.809 -1.272 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.495 7.637 -1.136 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.394 6.723 -0.004 1.00 0.00 C ATOM 1537 C LEU A 97 -11.400 7.088 1.082 1.00 0.00 C ATOM 1538 O LEU A 97 -11.279 6.653 2.228 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.976 6.744 0.569 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.995 5.737 -0.032 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.590 5.979 0.498 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -8.441 4.313 0.267 1.00 0.00 C ATOM 0 H LEU A 97 -9.875 8.445 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.620 5.718 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.566 7.745 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.037 6.566 1.643 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.982 5.873 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.906 5.253 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.269 6.986 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.587 5.871 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.731 3.610 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.484 4.164 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.429 4.143 -0.162 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.395 7.889 0.716 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.425 8.312 1.658 1.00 0.00 C ATOM 1556 C LYS A 98 -14.307 7.136 2.062 1.00 0.00 C ATOM 1557 O LYS A 98 -14.654 6.984 3.233 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.283 9.419 1.043 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.362 8.904 0.107 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.290 10.020 -0.345 1.00 0.00 C ATOM 1561 CE LYS A 98 -17.159 9.585 -1.514 1.00 0.00 C ATOM 1562 NZ LYS A 98 -16.388 9.521 -2.786 1.00 0.00 N ATOM 0 H LYS A 98 -12.510 8.259 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.931 8.697 2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.751 9.991 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.637 10.106 0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.898 8.441 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.941 8.130 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.924 10.326 0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.700 10.890 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.590 8.607 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.990 10.282 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -17.040 9.354 -3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -15.886 10.420 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.698 8.744 -2.735 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.665 6.307 1.086 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.507 5.144 1.344 1.00 0.00 C ATOM 1578 C GLU A 99 -15.061 4.419 2.610 1.00 0.00 C ATOM 1579 O GLU A 99 -15.867 4.149 3.500 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.467 4.184 0.152 1.00 0.00 C ATOM 1581 CG GLU A 99 -16.162 4.724 -1.087 1.00 0.00 C ATOM 1582 CD GLU A 99 -17.652 4.443 -1.089 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -18.410 5.264 -0.533 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -18.059 3.403 -1.648 1.00 0.00 O ATOM 0 H GLU A 99 -14.386 6.419 0.111 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.530 5.492 1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.428 3.963 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.934 3.242 0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.999 5.800 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.711 4.280 -1.975 1.00 0.00 H new ATOM 1591 N SER A 100 -13.772 4.106 2.682 1.00 0.00 N ATOM 1592 CA SER A 100 -13.218 3.408 3.837 1.00 0.00 C ATOM 1593 C SER A 100 -13.089 4.349 5.030 1.00 0.00 C ATOM 1594 O SER A 100 -13.518 4.028 6.139 1.00 0.00 O ATOM 1595 CB SER A 100 -11.852 2.813 3.493 1.00 0.00 C ATOM 1596 OG SER A 100 -11.985 1.514 2.942 1.00 0.00 O ATOM 0 H SER A 100 -13.091 4.324 1.955 1.00 0.00 H new ATOM 0 HA SER A 100 -13.901 2.602 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.338 3.461 2.784 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.235 2.769 4.390 1.00 0.00 H new ATOM 0 HG SER A 100 -11.098 1.157 2.729 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.496 5.515 4.795 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.310 6.505 5.850 1.00 0.00 C ATOM 1604 C PHE A 101 -12.855 7.864 5.424 1.00 0.00 C ATOM 1605 O PHE A 101 -12.203 8.605 4.687 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.826 6.627 6.207 1.00 0.00 C ATOM 1607 CG PHE A 101 -10.203 5.328 6.636 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -10.319 4.888 7.945 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.504 4.549 5.730 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -9.747 3.695 8.343 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.929 3.353 6.122 1.00 0.00 C ATOM 1612 CZ PHE A 101 -9.052 2.926 7.429 1.00 0.00 C ATOM 0 H PHE A 101 -12.136 5.798 3.883 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.863 6.172 6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.284 7.013 5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.712 7.357 7.008 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.863 5.485 8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.406 4.878 4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.843 3.364 9.367 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.385 2.754 5.406 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.606 1.992 7.737 1.00 0.00 H new ATOM 1622 N LYS A 102 -14.056 8.186 5.892 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.691 9.456 5.561 1.00 0.00 C ATOM 1624 C LYS A 102 -13.751 10.624 5.843 1.00 0.00 C ATOM 1625 O LYS A 102 -13.845 11.674 5.207 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.986 9.625 6.359 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.797 9.493 7.861 1.00 0.00 C ATOM 1628 CD LYS A 102 -16.974 10.075 8.625 1.00 0.00 C ATOM 1629 CE LYS A 102 -18.086 9.052 8.799 1.00 0.00 C ATOM 1630 NZ LYS A 102 -18.914 9.332 10.004 1.00 0.00 N ATOM 0 H LYS A 102 -14.609 7.584 6.502 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.925 9.450 4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.413 10.604 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.708 8.880 6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -15.677 8.442 8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.881 10.003 8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -16.639 10.420 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.359 10.946 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -18.722 9.053 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.653 8.055 8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -19.660 8.613 10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.313 9.306 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -19.348 10.273 9.916 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.847 10.433 6.797 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.891 11.472 7.161 1.00 0.00 C ATOM 1646 C GLN A 103 -10.841 11.651 6.071 1.00 0.00 C ATOM 1647 O GLN A 103 -10.270 12.731 5.915 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.211 11.127 8.488 1.00 0.00 C ATOM 1649 CG GLN A 103 -11.995 11.583 9.709 1.00 0.00 C ATOM 1650 CD GLN A 103 -11.154 11.593 10.971 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -9.944 11.811 10.922 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -11.794 11.358 12.111 1.00 0.00 N ATOM 0 H GLN A 103 -12.756 9.569 7.332 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.436 12.409 7.273 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.065 10.048 8.542 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.222 11.584 8.510 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.388 12.584 9.531 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.852 10.925 9.853 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.799 11.182 12.105 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.281 11.354 12.992 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.589 10.585 5.317 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.606 10.625 4.240 1.00 0.00 C ATOM 1663 C LEU A 104 -10.292 10.681 2.879 1.00 0.00 C ATOM 1664 O LEU A 104 -10.970 9.736 2.475 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.692 9.401 4.313 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.265 9.597 3.800 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.352 10.060 4.925 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.739 8.311 3.179 1.00 0.00 C ATOM 0 H LEU A 104 -11.052 9.683 5.432 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.006 11.527 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.642 9.072 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.153 8.594 3.744 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.280 10.369 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.341 10.194 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.717 11.006 5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.343 9.312 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.722 8.470 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.740 7.519 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.378 8.022 2.344 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.111 11.793 2.177 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.710 11.972 0.859 1.00 0.00 C ATOM 1682 C ASP A 105 -9.650 12.338 -0.175 1.00 0.00 C ATOM 1683 O ASP A 105 -9.319 13.511 -0.353 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.788 13.055 0.907 1.00 0.00 C ATOM 1685 CG ASP A 105 -11.254 14.382 1.412 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -11.223 14.578 2.645 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -10.868 15.224 0.574 1.00 0.00 O ATOM 0 H ASP A 105 -9.554 12.585 2.498 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.168 11.028 0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.207 13.191 -0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.602 12.725 1.552 1.00 0.00 H new ATOM 1692 N THR A 106 -9.117 11.326 -0.854 1.00 0.00 N ATOM 1693 CA THR A 106 -8.093 11.541 -1.868 1.00 0.00 C ATOM 1694 C THR A 106 -7.840 10.271 -2.672 1.00 0.00 C ATOM 1695 O THR A 106 -8.173 9.169 -2.233 1.00 0.00 O ATOM 1696 CB THR A 106 -6.768 12.009 -1.238 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.923 12.580 -2.242 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.051 10.849 -0.564 1.00 0.00 C ATOM 0 H THR A 106 -9.378 10.349 -0.719 1.00 0.00 H new ATOM 0 HA THR A 106 -8.466 12.320 -2.533 1.00 0.00 H new ATOM 0 HB THR A 106 -6.995 12.763 -0.484 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.083 12.877 -1.833 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.118 11.203 -0.126 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.685 10.435 0.220 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.835 10.076 -1.302 1.00 0.00 H new ATOM 1706 N THR A 107 -7.248 10.430 -3.852 1.00 0.00 N ATOM 1707 CA THR A 107 -6.951 9.296 -4.717 1.00 0.00 C ATOM 1708 C THR A 107 -5.485 9.292 -5.134 1.00 0.00 C ATOM 1709 O THR A 107 -4.944 10.319 -5.547 1.00 0.00 O ATOM 1710 CB THR A 107 -7.833 9.307 -5.980 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.780 10.595 -6.603 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.274 8.962 -5.637 1.00 0.00 C ATOM 0 H THR A 107 -6.965 11.334 -4.230 1.00 0.00 H new ATOM 0 HA THR A 107 -7.164 8.395 -4.142 1.00 0.00 H new ATOM 0 HB THR A 107 -7.451 8.555 -6.670 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.342 10.593 -7.406 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.877 8.976 -6.545 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.314 7.969 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.665 9.694 -4.930 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.847 8.132 -5.026 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.441 7.995 -5.393 1.00 0.00 C ATOM 1722 C LEU A 108 -3.101 8.883 -6.584 1.00 0.00 C ATOM 1723 O LEU A 108 -3.462 8.581 -7.722 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.121 6.536 -5.722 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.667 5.492 -4.747 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.271 4.092 -5.188 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.170 5.769 -3.336 1.00 0.00 C ATOM 0 H LEU A 108 -5.280 7.273 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.836 8.311 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.511 6.315 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.038 6.425 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.755 5.557 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.668 3.362 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.676 3.895 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.184 4.014 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.568 5.016 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.081 5.732 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.504 6.757 -3.020 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.401 9.981 -6.316 1.00 0.00 N ATOM 1740 CA LYS A 109 -2.007 10.913 -7.366 1.00 0.00 C ATOM 1741 C LYS A 109 -0.586 10.629 -7.841 1.00 0.00 C ATOM 1742 O LYS A 109 -0.381 10.088 -8.928 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.108 12.354 -6.860 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.465 12.991 -7.105 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.706 14.165 -6.172 1.00 0.00 C ATOM 1746 CE LYS A 109 -5.176 14.550 -6.128 1.00 0.00 C ATOM 1747 NZ LYS A 109 -5.556 15.143 -4.816 1.00 0.00 N ATOM 0 H LYS A 109 -2.095 10.247 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.686 10.781 -8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.896 12.370 -5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.340 12.956 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.528 13.328 -8.140 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.248 12.246 -6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.366 13.909 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.115 15.020 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.388 15.264 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.788 13.668 -6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.566 15.392 -4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.378 14.453 -4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.990 15.999 -4.645 1.00 0.00 H new ATOM 1761 N TYR A 110 0.393 10.994 -7.020 1.00 0.00 N ATOM 1762 CA TYR A 110 1.794 10.778 -7.357 1.00 0.00 C ATOM 1763 C TYR A 110 2.429 9.753 -6.422 1.00 0.00 C ATOM 1764 O TYR A 110 2.092 9.660 -5.241 1.00 0.00 O ATOM 1765 CB TYR A 110 2.566 12.097 -7.286 1.00 0.00 C ATOM 1766 CG TYR A 110 1.789 13.283 -7.810 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.818 13.616 -9.159 1.00 0.00 C ATOM 1768 CD2 TYR A 110 1.026 14.070 -6.957 1.00 0.00 C ATOM 1769 CE1 TYR A 110 1.110 14.699 -9.642 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.313 15.154 -7.431 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.360 15.465 -8.775 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.348 16.544 -9.253 1.00 0.00 O ATOM 0 H TYR A 110 0.241 11.441 -6.116 1.00 0.00 H new ATOM 0 HA TYR A 110 1.841 10.391 -8.375 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.849 12.287 -6.251 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.490 11.998 -7.856 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.404 13.018 -9.841 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.990 13.830 -5.905 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.144 14.945 -10.693 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.277 15.754 -6.754 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.824 16.976 -8.514 1.00 0.00 H new ATOM 1782 N PRO A 111 3.369 8.963 -6.962 1.00 0.00 N ATOM 1783 CA PRO A 111 4.072 7.931 -6.195 1.00 0.00 C ATOM 1784 C PRO A 111 5.023 8.524 -5.160 1.00 0.00 C ATOM 1785 O PRO A 111 5.087 9.741 -4.987 1.00 0.00 O ATOM 1786 CB PRO A 111 4.854 7.166 -7.264 1.00 0.00 C ATOM 1787 CG PRO A 111 5.044 8.146 -8.370 1.00 0.00 C ATOM 1788 CD PRO A 111 3.820 9.020 -8.363 1.00 0.00 C ATOM 0 HA PRO A 111 3.384 7.308 -5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.811 6.814 -6.878 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.305 6.288 -7.603 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.947 8.737 -8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.155 7.637 -9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.053 10.040 -8.669 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.057 8.648 -9.046 1.00 0.00 H new ATOM 1796 N TYR A 112 5.761 7.657 -4.476 1.00 0.00 N ATOM 1797 CA TYR A 112 6.707 8.095 -3.457 1.00 0.00 C ATOM 1798 C TYR A 112 8.001 8.591 -4.094 1.00 0.00 C ATOM 1799 O TYR A 112 8.110 8.684 -5.317 1.00 0.00 O ATOM 1800 CB TYR A 112 7.009 6.953 -2.486 1.00 0.00 C ATOM 1801 CG TYR A 112 8.226 6.140 -2.866 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.206 5.300 -3.973 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.395 6.211 -2.118 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.316 4.555 -4.324 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.509 5.471 -2.462 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.465 4.644 -3.565 1.00 0.00 C ATOM 1807 OH TYR A 112 11.573 3.905 -3.910 1.00 0.00 O ATOM 0 H TYR A 112 5.722 6.646 -4.609 1.00 0.00 H new ATOM 0 HA TYR A 112 6.254 8.920 -2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.155 7.365 -1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.143 6.293 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.308 5.228 -4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.433 6.856 -1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.284 3.907 -5.187 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.410 5.539 -1.870 1.00 0.00 H new ATOM 0 HH TYR A 112 12.297 4.084 -3.274 1.00 0.00 H new ATOM 1817 N SER A 113 8.982 8.908 -3.255 1.00 0.00 N ATOM 1818 CA SER A 113 10.270 9.398 -3.734 1.00 0.00 C ATOM 1819 C SER A 113 11.070 8.275 -4.387 1.00 0.00 C ATOM 1820 O SER A 113 11.939 7.671 -3.760 1.00 0.00 O ATOM 1821 CB SER A 113 11.070 10.004 -2.579 1.00 0.00 C ATOM 1822 OG SER A 113 11.489 9.004 -1.667 1.00 0.00 O ATOM 0 H SER A 113 8.910 8.834 -2.240 1.00 0.00 H new ATOM 0 HA SER A 113 10.082 10.169 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.940 10.529 -2.972 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.460 10.742 -2.058 1.00 0.00 H new ATOM 0 HG SER A 113 12.050 8.350 -2.134 1.00 0.00 H new