USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 745 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 70 HIS : no HD1:sc= -6.44! C(o=-6.5!,f=-9.2!) USER MOD Set 1.2: A 74 CYS SG : rot 180:sc= -0.0647 USER MOD Set 2.1: A 62 GLN : amide:sc= 0.607 K(o=1.1,f=-1.1!) USER MOD Set 2.2: B 12 SER OG : rot -22:sc= 0.507 USER MOD Set 3.1: A 46 THR OG1 : rot -48:sc= -4.92! USER MOD Set 3.2: A 60 CYS SG : rot 95:sc= -6.52! USER MOD Set 4.1: A 45 HIS : no HD1:sc= -0.281 K(o=-0.39,f=-1.1) USER MOD Set 4.2: A 49 CYS SG : rot 91:sc= -0.111 USER MOD Set 4.3: A 57 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 22 HIS :FLIP no HD1:sc= 0.6 F(o=-4.4,f=-2.1) USER MOD Set 5.2: A 26 CYS SG : rot 180:sc= 0 USER MOD Set 5.3: A 31 CYS SG : rot 180:sc= -0.512 USER MOD Set 5.4: A 36 CYS SG : rot 108:sc= -2.17! USER MOD Single : A 8 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 12 SER OG : rot 96:sc= 0.371 USER MOD Single : A 14 GLN : amide:sc=-0.00244 K(o=-0.0024,f=-0.81) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -120:sc= -1.61! USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 32 SER OG : rot 49:sc= 0.393 USER MOD Single : A 35 SER OG : rot 180:sc= -2.31! USER MOD Single : A 37 GLN : amide:sc= -0.419 K(o=-0.42,f=-0.93) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= -0.688 (180deg=-0.882) USER MOD Single : A 39 MET CE :methyl 177:sc= -6.38! (180deg=-6.44!) USER MOD Single : A 40 LYS NZ :NH3+ 136:sc= -0.0749 (180deg=-2.39!) USER MOD Single : A 44 GLN : amide:sc= -0.557 K(o=-0.56,f=-3.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc=-0.00799 (180deg=-0.144) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -1.4 (180deg=-1.73) USER MOD Single : A 53 THR OG1 : rot 42:sc= 0.0801 USER MOD Single : A 54 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00796) USER MOD Single : A 73 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.19) USER MOD Single : A 75 GLN : amide:sc= -0.239 K(o=-0.24,f=-0.75) USER MOD Single : A 77 ASN : amide:sc= 0.00184 X(o=0.0018,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 46:sc= 0.0571 USER MOD Single : A 84 CYS SG : rot -99:sc= -0.28 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= -1.75! (180deg=-2.1!) USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 21 THR OG1 : rot 26:sc= 0.953 USER MOD ----------------------------------------------------------------- ATOM 76 N ASP A 7 12.282 -11.290 1.082 1.00 0.00 N ATOM 77 CA ASP A 7 11.685 -11.486 -0.195 1.00 0.00 C ATOM 78 C ASP A 7 10.251 -11.705 0.186 1.00 0.00 C ATOM 79 O ASP A 7 9.365 -11.118 -0.316 1.00 0.00 O ATOM 80 CB ASP A 7 12.169 -12.739 -0.782 1.00 0.00 C ATOM 81 CG ASP A 7 11.713 -13.087 -2.177 1.00 0.00 C ATOM 82 OD1 ASP A 7 10.582 -13.600 -2.343 1.00 0.00 O ATOM 83 OD2 ASP A 7 12.509 -12.918 -3.127 1.00 0.00 O ATOM 0 HA ASP A 7 11.879 -10.677 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.259 -12.708 -0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.874 -13.554 -0.121 1.00 0.00 H new ATOM 88 N SER A 8 10.082 -12.422 1.210 1.00 0.00 N ATOM 89 CA SER A 8 8.819 -12.636 1.621 1.00 0.00 C ATOM 90 C SER A 8 8.172 -11.361 2.272 1.00 0.00 C ATOM 91 O SER A 8 7.055 -11.081 1.965 1.00 0.00 O ATOM 92 CB SER A 8 8.638 -13.941 2.346 1.00 0.00 C ATOM 93 OG SER A 8 9.655 -14.081 3.336 1.00 0.00 O ATOM 0 H SER A 8 10.818 -12.861 1.763 1.00 0.00 H new ATOM 0 HA SER A 8 8.207 -12.791 0.732 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.654 -13.976 2.813 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.686 -14.771 1.641 1.00 0.00 H new ATOM 0 HG SER A 8 9.536 -14.931 3.810 1.00 0.00 H new ATOM 99 N ARG A 9 8.911 -10.543 3.106 1.00 0.00 N ATOM 100 CA ARG A 9 8.318 -9.283 3.533 1.00 0.00 C ATOM 101 C ARG A 9 8.155 -8.336 2.402 1.00 0.00 C ATOM 102 O ARG A 9 7.105 -7.811 2.227 1.00 0.00 O ATOM 103 CB ARG A 9 9.000 -8.516 4.671 1.00 0.00 C ATOM 104 CG ARG A 9 8.613 -8.914 6.062 1.00 0.00 C ATOM 105 CD ARG A 9 7.093 -9.037 6.237 1.00 0.00 C ATOM 106 NE ARG A 9 6.699 -9.270 7.626 1.00 0.00 N ATOM 107 CZ ARG A 9 5.516 -9.766 8.017 1.00 0.00 C ATOM 108 NH1 ARG A 9 4.638 -10.230 7.126 1.00 0.00 N ATOM 109 NH2 ARG A 9 5.231 -9.827 9.299 1.00 0.00 N ATOM 0 H ARG A 9 9.848 -10.740 3.458 1.00 0.00 H new ATOM 0 HA ARG A 9 7.367 -9.634 3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.078 -8.637 4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.785 -7.455 4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.082 -9.867 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.998 -8.178 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.616 -8.126 5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.726 -9.855 5.618 1.00 0.00 H new ATOM 0 HE ARG A 9 7.376 -9.037 8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.862 -10.211 6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.742 -10.604 7.440 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.907 -9.498 9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.333 -10.203 9.605 1.00 0.00 H new ATOM 123 N ARG A 10 9.187 -8.156 1.608 1.00 0.00 N ATOM 124 CA ARG A 10 9.187 -7.146 0.580 1.00 0.00 C ATOM 125 C ARG A 10 8.328 -7.489 -0.545 1.00 0.00 C ATOM 126 O ARG A 10 7.776 -6.628 -1.115 1.00 0.00 O ATOM 127 CB ARG A 10 10.531 -6.876 0.103 1.00 0.00 C ATOM 128 CG ARG A 10 11.391 -6.323 1.171 1.00 0.00 C ATOM 129 CD ARG A 10 12.753 -6.483 0.744 1.00 0.00 C ATOM 130 NE ARG A 10 13.702 -6.104 1.784 1.00 0.00 N ATOM 131 CZ ARG A 10 14.909 -5.586 1.601 1.00 0.00 C ATOM 132 NH1 ARG A 10 15.327 -5.269 0.382 1.00 0.00 N ATOM 133 NH2 ARG A 10 15.686 -5.366 2.658 1.00 0.00 N ATOM 0 H ARG A 10 10.045 -8.705 1.658 1.00 0.00 H new ATOM 0 HA ARG A 10 8.784 -6.246 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.973 -7.796 -0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.487 -6.173 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.163 -5.271 1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.219 -6.845 2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.924 -7.521 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.928 -5.876 -0.144 1.00 0.00 H new ATOM 0 HE ARG A 10 13.408 -6.252 2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.719 -5.423 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.257 -4.871 0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.351 -5.595 3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.617 -4.968 2.533 1.00 0.00 H new ATOM 147 N LEU A 11 8.213 -8.753 -0.874 1.00 0.00 N ATOM 148 CA LEU A 11 7.268 -9.157 -1.873 1.00 0.00 C ATOM 149 C LEU A 11 5.942 -9.079 -1.367 1.00 0.00 C ATOM 150 O LEU A 11 5.033 -8.783 -2.080 1.00 0.00 O ATOM 151 CB LEU A 11 7.558 -10.443 -2.542 1.00 0.00 C ATOM 152 CG LEU A 11 8.758 -10.343 -3.517 1.00 0.00 C ATOM 153 CD1 LEU A 11 10.118 -10.343 -2.918 1.00 0.00 C ATOM 154 CD2 LEU A 11 8.605 -11.119 -4.782 1.00 0.00 C ATOM 0 H LEU A 11 8.760 -9.511 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 11 7.373 -8.437 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.768 -11.202 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.675 -10.772 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 11 8.690 -9.306 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.864 -10.269 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.218 -9.493 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.270 -11.268 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.494 -10.987 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.479 -12.176 -4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.730 -10.761 -5.325 1.00 0.00 H new ATOM 166 N SER A 12 5.846 -9.211 -0.108 1.00 0.00 N ATOM 167 CA SER A 12 4.591 -9.012 0.517 1.00 0.00 C ATOM 168 C SER A 12 4.259 -7.507 0.604 1.00 0.00 C ATOM 169 O SER A 12 3.114 -7.121 0.631 1.00 0.00 O ATOM 170 CB SER A 12 4.480 -9.718 1.858 1.00 0.00 C ATOM 171 OG SER A 12 4.227 -11.100 1.683 1.00 0.00 O ATOM 0 H SER A 12 6.614 -9.455 0.517 1.00 0.00 H new ATOM 0 HA SER A 12 3.834 -9.480 -0.113 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.403 -9.582 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.678 -9.269 2.444 1.00 0.00 H new ATOM 0 HG SER A 12 5.071 -11.595 1.727 1.00 0.00 H new ATOM 177 N ILE A 13 5.283 -6.660 0.571 1.00 0.00 N ATOM 178 CA ILE A 13 5.040 -5.223 0.601 1.00 0.00 C ATOM 179 C ILE A 13 4.803 -4.827 -0.767 1.00 0.00 C ATOM 180 O ILE A 13 3.999 -4.038 -1.025 1.00 0.00 O ATOM 181 CB ILE A 13 6.182 -4.331 1.032 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.939 -4.857 2.134 1.00 0.00 C ATOM 183 CG2 ILE A 13 5.570 -3.025 1.514 1.00 0.00 C ATOM 184 CD1 ILE A 13 8.254 -4.202 2.220 1.00 0.00 C ATOM 0 H ILE A 13 6.264 -6.934 0.525 1.00 0.00 H new ATOM 0 HA ILE A 13 4.236 -5.094 1.326 1.00 0.00 H new ATOM 0 HB ILE A 13 6.854 -4.227 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.390 -4.706 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.070 -5.932 2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.362 -2.349 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.008 -2.565 0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.900 -3.224 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.812 -4.614 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.808 -4.375 1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.118 -3.130 2.366 1.00 0.00 H new ATOM 196 N GLN A 14 5.596 -5.357 -1.642 1.00 0.00 N ATOM 197 CA GLN A 14 5.409 -5.160 -3.087 1.00 0.00 C ATOM 198 C GLN A 14 4.000 -5.434 -3.458 1.00 0.00 C ATOM 199 O GLN A 14 3.479 -4.784 -4.236 1.00 0.00 O ATOM 200 CB GLN A 14 6.298 -6.041 -3.958 1.00 0.00 C ATOM 201 CG GLN A 14 7.771 -5.704 -3.951 1.00 0.00 C ATOM 202 CD GLN A 14 8.577 -6.573 -4.907 1.00 0.00 C ATOM 203 OE1 GLN A 14 8.067 -7.037 -5.920 1.00 0.00 O ATOM 204 NE2 GLN A 14 9.835 -6.790 -4.599 1.00 0.00 N ATOM 0 H GLN A 14 6.396 -5.941 -1.400 1.00 0.00 H new ATOM 0 HA GLN A 14 5.687 -4.123 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.180 -7.075 -3.634 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.937 -5.985 -4.985 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.901 -4.656 -4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.162 -5.823 -2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.228 -6.389 -3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.419 -7.360 -5.211 1.00 0.00 H new ATOM 213 N ARG A 15 3.426 -6.420 -2.875 1.00 0.00 N ATOM 214 CA ARG A 15 2.022 -6.746 -3.093 1.00 0.00 C ATOM 215 C ARG A 15 1.104 -5.834 -2.414 1.00 0.00 C ATOM 216 O ARG A 15 0.057 -5.520 -2.921 1.00 0.00 O ATOM 217 CB ARG A 15 1.762 -8.068 -2.624 1.00 0.00 C ATOM 218 CG ARG A 15 2.521 -9.023 -3.461 1.00 0.00 C ATOM 219 CD ARG A 15 2.018 -10.408 -3.233 1.00 0.00 C ATOM 220 NE ARG A 15 2.013 -10.792 -1.797 1.00 0.00 N ATOM 221 CZ ARG A 15 2.472 -11.941 -1.309 1.00 0.00 C ATOM 222 NH1 ARG A 15 3.258 -12.718 -2.049 1.00 0.00 N ATOM 223 NH2 ARG A 15 2.201 -12.276 -0.050 1.00 0.00 N ATOM 0 H ARG A 15 3.901 -7.044 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 15 1.848 -6.656 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.057 -8.164 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.695 -8.285 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.419 -8.758 -4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.583 -8.968 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.006 -10.492 -3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.638 -11.111 -3.790 1.00 0.00 H new ATOM 0 HE ARG A 15 1.627 -10.121 -1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.511 -12.434 -2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.607 -13.598 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.644 -11.653 0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.550 -13.156 0.330 1.00 0.00 H new ATOM 237 N ALA A 16 1.513 -5.401 -1.298 1.00 0.00 N ATOM 238 CA ALA A 16 0.783 -4.522 -0.477 1.00 0.00 C ATOM 239 C ALA A 16 0.725 -3.214 -1.171 1.00 0.00 C ATOM 240 O ALA A 16 -0.296 -2.648 -1.315 1.00 0.00 O ATOM 241 CB ALA A 16 1.495 -4.474 0.843 1.00 0.00 C ATOM 0 H ALA A 16 2.417 -5.661 -0.904 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.245 -4.834 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.965 -3.802 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.526 -5.474 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.512 -4.111 0.695 1.00 0.00 H new ATOM 247 N ILE A 17 1.844 -2.838 -1.678 1.00 0.00 N ATOM 248 CA ILE A 17 2.041 -1.691 -2.456 1.00 0.00 C ATOM 249 C ILE A 17 1.486 -1.834 -3.833 1.00 0.00 C ATOM 250 O ILE A 17 0.863 -1.002 -4.254 1.00 0.00 O ATOM 251 CB ILE A 17 3.477 -1.376 -2.616 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.077 -0.992 -1.366 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.616 -0.289 -3.554 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.508 -0.977 -1.410 1.00 0.00 C ATOM 0 H ILE A 17 2.703 -3.371 -1.543 1.00 0.00 H new ATOM 0 HA ILE A 17 1.523 -0.897 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 17 3.984 -2.270 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.718 -0.001 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.751 -1.681 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.672 -0.049 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.194 -0.582 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.087 0.586 -3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.899 -0.680 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.875 -1.973 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.841 -0.267 -2.167 1.00 0.00 H new ATOM 266 N GLN A 18 1.798 -2.879 -4.556 1.00 0.00 N ATOM 267 CA GLN A 18 1.271 -3.036 -5.911 1.00 0.00 C ATOM 268 C GLN A 18 -0.185 -3.078 -5.835 1.00 0.00 C ATOM 269 O GLN A 18 -0.829 -2.549 -6.686 1.00 0.00 O ATOM 270 CB GLN A 18 1.752 -4.312 -6.613 1.00 0.00 C ATOM 271 CG GLN A 18 3.200 -4.273 -7.111 1.00 0.00 C ATOM 272 CD GLN A 18 3.577 -5.503 -7.922 1.00 0.00 C ATOM 273 OE1 GLN A 18 3.408 -5.519 -9.143 1.00 0.00 O ATOM 274 NE2 GLN A 18 4.097 -6.525 -7.276 1.00 0.00 N ATOM 0 H GLN A 18 2.408 -3.634 -4.244 1.00 0.00 H new ATOM 0 HA GLN A 18 1.635 -2.191 -6.495 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.643 -5.150 -5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.097 -4.510 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.346 -3.382 -7.722 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.871 -4.187 -6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.223 -6.479 -6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.374 -7.364 -7.786 1.00 0.00 H new ATOM 283 N SER A 19 -0.716 -3.682 -4.796 1.00 0.00 N ATOM 284 CA SER A 19 -2.107 -3.618 -4.643 1.00 0.00 C ATOM 285 C SER A 19 -2.525 -2.279 -4.285 1.00 0.00 C ATOM 286 O SER A 19 -3.454 -1.805 -4.835 1.00 0.00 O ATOM 287 CB SER A 19 -2.678 -4.635 -3.732 1.00 0.00 C ATOM 288 OG SER A 19 -2.502 -5.929 -4.287 1.00 0.00 O ATOM 0 H SER A 19 -0.207 -4.200 -4.080 1.00 0.00 H new ATOM 0 HA SER A 19 -2.520 -3.867 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.192 -4.578 -2.758 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.738 -4.439 -3.572 1.00 0.00 H new ATOM 0 HG SER A 19 -3.377 -6.351 -4.418 1.00 0.00 H new ATOM 294 N LEU A 20 -1.807 -1.665 -3.423 1.00 0.00 N ATOM 295 CA LEU A 20 -2.084 -0.378 -2.996 1.00 0.00 C ATOM 296 C LEU A 20 -1.986 0.666 -4.097 1.00 0.00 C ATOM 297 O LEU A 20 -2.878 1.469 -4.268 1.00 0.00 O ATOM 298 CB LEU A 20 -1.175 -0.015 -1.937 1.00 0.00 C ATOM 299 CG LEU A 20 -1.586 1.057 -1.260 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.454 0.589 -0.163 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.475 1.899 -0.938 1.00 0.00 C ATOM 0 H LEU A 20 -0.981 -2.075 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.118 -0.388 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.067 -0.855 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.189 0.181 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.214 1.731 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.808 1.445 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.307 0.053 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.889 -0.077 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.827 2.770 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.237 1.344 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.013 2.225 -1.857 1.00 0.00 H new ATOM 313 N VAL A 21 -0.887 0.650 -4.792 1.00 0.00 N ATOM 314 CA VAL A 21 -0.598 1.479 -5.872 1.00 0.00 C ATOM 315 C VAL A 21 -1.661 1.306 -6.887 1.00 0.00 C ATOM 316 O VAL A 21 -2.205 2.237 -7.351 1.00 0.00 O ATOM 317 CB VAL A 21 0.787 1.164 -6.538 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.756 1.719 -7.904 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.008 1.688 -5.707 1.00 0.00 C ATOM 0 H VAL A 21 -0.128 0.001 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.550 2.502 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 21 0.935 0.085 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.706 1.519 -8.400 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.053 1.254 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.592 2.796 -7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.934 1.437 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.936 2.770 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.004 1.222 -4.722 1.00 0.00 H new ATOM 329 N HIS A 22 -1.942 0.091 -7.182 1.00 0.00 N ATOM 330 CA HIS A 22 -2.966 -0.261 -8.137 1.00 0.00 C ATOM 331 C HIS A 22 -4.233 0.194 -7.656 1.00 0.00 C ATOM 332 O HIS A 22 -4.930 0.691 -8.338 1.00 0.00 O ATOM 333 CB HIS A 22 -2.997 -1.723 -8.305 1.00 0.00 C ATOM 334 CG HIS A 22 -4.031 -2.284 -9.249 1.00 0.00 C ATOM 335 ND1 HIS A 22 -5.143 -3.000 -8.991 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 -3.973 -2.157 -10.613 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 -5.730 -3.301 -10.191 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 -5.004 -2.775 -11.148 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.468 -0.712 -6.768 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.751 0.208 -9.097 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.014 -2.045 -8.650 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.154 -2.173 -7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.204 -1.633 -11.161 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.636 -3.874 -10.326 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.206 -2.835 -12.146 1.00 0.00 H new ATOM 347 N ALA A 23 -4.472 0.039 -6.458 1.00 0.00 N ATOM 348 CA ALA A 23 -5.702 0.435 -5.871 1.00 0.00 C ATOM 349 C ALA A 23 -5.876 1.952 -5.986 1.00 0.00 C ATOM 350 O ALA A 23 -6.950 2.462 -6.251 1.00 0.00 O ATOM 351 CB ALA A 23 -5.677 -0.063 -4.443 1.00 0.00 C ATOM 0 H ALA A 23 -3.814 -0.381 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.564 0.006 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.605 0.217 -3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.575 -1.148 -4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.833 0.383 -3.917 1.00 0.00 H new ATOM 357 N ALA A 24 -4.812 2.602 -5.870 1.00 0.00 N ATOM 358 CA ALA A 24 -4.743 4.006 -5.975 1.00 0.00 C ATOM 359 C ALA A 24 -4.891 4.441 -7.422 1.00 0.00 C ATOM 360 O ALA A 24 -5.673 5.329 -7.776 1.00 0.00 O ATOM 361 CB ALA A 24 -3.379 4.348 -5.516 1.00 0.00 C ATOM 0 H ALA A 24 -3.909 2.162 -5.690 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.530 4.491 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.239 5.428 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.246 4.011 -4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.646 3.857 -6.156 1.00 0.00 H new ATOM 367 N GLN A 25 -4.126 3.780 -8.222 1.00 0.00 N ATOM 368 CA GLN A 25 -3.920 4.063 -9.581 1.00 0.00 C ATOM 369 C GLN A 25 -5.004 3.471 -10.471 1.00 0.00 C ATOM 370 O GLN A 25 -5.255 3.945 -11.588 1.00 0.00 O ATOM 371 CB GLN A 25 -2.532 3.568 -9.943 1.00 0.00 C ATOM 372 CG GLN A 25 -2.077 3.876 -11.286 1.00 0.00 C ATOM 373 CD GLN A 25 -0.688 3.346 -11.515 1.00 0.00 C ATOM 374 OE1 GLN A 25 0.298 4.060 -11.335 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.587 2.076 -11.770 1.00 0.00 N ATOM 0 H GLN A 25 -3.593 2.969 -7.908 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.985 5.138 -9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.821 3.991 -9.234 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.508 2.486 -9.812 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.761 3.442 -12.015 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.089 4.955 -11.440 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.428 1.516 -11.913 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.333 1.639 -11.827 1.00 0.00 H new ATOM 384 N CYS A 26 -5.621 2.453 -9.997 1.00 0.00 N ATOM 385 CA CYS A 26 -6.689 1.859 -10.667 1.00 0.00 C ATOM 386 C CYS A 26 -7.871 2.669 -10.228 1.00 0.00 C ATOM 387 O CYS A 26 -8.082 2.812 -9.026 1.00 0.00 O ATOM 388 CB CYS A 26 -6.890 0.379 -10.201 1.00 0.00 C ATOM 389 SG CYS A 26 -8.178 -0.556 -11.054 1.00 0.00 S ATOM 0 H CYS A 26 -5.383 2.008 -9.111 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.537 1.838 -11.746 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.945 -0.150 -10.323 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.118 0.383 -9.135 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.232 -1.761 -10.570 1.00 0.00 H new ATOM 395 N ARG A 27 -8.654 3.192 -11.102 1.00 0.00 N ATOM 396 CA ARG A 27 -9.761 3.920 -10.586 1.00 0.00 C ATOM 397 C ARG A 27 -10.948 3.507 -11.276 1.00 0.00 C ATOM 398 O ARG A 27 -11.364 4.011 -12.313 1.00 0.00 O ATOM 399 CB ARG A 27 -9.609 5.472 -10.463 1.00 0.00 C ATOM 400 CG ARG A 27 -9.188 6.239 -11.708 1.00 0.00 C ATOM 401 CD ARG A 27 -7.681 6.236 -11.903 1.00 0.00 C ATOM 402 NE ARG A 27 -6.971 6.938 -10.821 1.00 0.00 N ATOM 403 CZ ARG A 27 -5.670 7.254 -10.846 1.00 0.00 C ATOM 404 NH1 ARG A 27 -4.921 6.921 -11.895 1.00 0.00 N ATOM 405 NH2 ARG A 27 -5.118 7.903 -9.817 1.00 0.00 N ATOM 0 H ARG A 27 -8.563 3.139 -12.117 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.827 3.655 -9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.563 5.877 -10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.880 5.677 -9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.667 5.799 -12.583 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.541 7.268 -11.635 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.327 5.207 -11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.440 6.707 -12.856 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.508 7.202 -9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.338 6.424 -12.682 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.930 7.163 -11.912 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.688 8.159 -9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.127 8.143 -9.838 1.00 0.00 H new ATOM 419 N ASN A 28 -11.391 2.484 -10.739 1.00 0.00 N ATOM 420 CA ASN A 28 -12.549 1.846 -11.040 1.00 0.00 C ATOM 421 C ASN A 28 -12.988 1.337 -9.694 1.00 0.00 C ATOM 422 O ASN A 28 -12.307 0.459 -9.156 1.00 0.00 O ATOM 423 CB ASN A 28 -12.131 0.712 -11.898 1.00 0.00 C ATOM 424 CG ASN A 28 -13.213 0.062 -12.663 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.399 0.155 -12.323 1.00 0.00 O ATOM 426 ND2 ASN A 28 -12.822 -0.688 -13.635 1.00 0.00 N ATOM 0 H ASN A 28 -10.885 2.020 -9.985 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.326 2.429 -11.535 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.377 1.069 -12.600 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.652 -0.039 -11.270 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -13.502 -1.237 -14.161 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.833 -0.732 -13.879 1.00 0.00 H new ATOM 433 N ALA A 29 -13.978 1.887 -9.070 1.00 0.00 N ATOM 434 CA ALA A 29 -14.346 1.374 -7.757 1.00 0.00 C ATOM 435 C ALA A 29 -14.957 -0.006 -7.888 1.00 0.00 C ATOM 436 O ALA A 29 -14.842 -0.841 -7.001 1.00 0.00 O ATOM 437 CB ALA A 29 -15.262 2.319 -7.025 1.00 0.00 C ATOM 0 H ALA A 29 -14.539 2.664 -9.418 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.439 1.292 -7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.513 1.900 -6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.763 3.278 -6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.174 2.463 -7.604 1.00 0.00 H new ATOM 443 N ASN A 30 -15.545 -0.248 -9.029 1.00 0.00 N ATOM 444 CA ASN A 30 -16.142 -1.511 -9.347 1.00 0.00 C ATOM 445 C ASN A 30 -15.260 -2.273 -10.278 1.00 0.00 C ATOM 446 O ASN A 30 -15.745 -2.995 -11.163 1.00 0.00 O ATOM 447 CB ASN A 30 -17.509 -1.332 -9.957 1.00 0.00 C ATOM 448 CG ASN A 30 -18.513 -0.689 -9.005 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.399 -0.796 -7.777 1.00 0.00 O ATOM 450 ND2 ASN A 30 -19.516 -0.070 -9.544 1.00 0.00 N ATOM 0 H ASN A 30 -15.622 0.443 -9.776 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.258 -2.073 -8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.422 -0.717 -10.853 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -17.889 -2.304 -10.273 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -20.237 0.344 -8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -19.584 0.003 -10.559 1.00 0.00 H new ATOM 457 N CYS A 31 -13.950 -2.099 -10.117 1.00 0.00 N ATOM 458 CA CYS A 31 -13.027 -3.044 -10.687 1.00 0.00 C ATOM 459 C CYS A 31 -13.410 -4.230 -10.005 1.00 0.00 C ATOM 460 O CYS A 31 -13.500 -4.157 -8.742 1.00 0.00 O ATOM 461 CB CYS A 31 -11.582 -2.796 -10.204 1.00 0.00 C ATOM 462 SG CYS A 31 -10.356 -3.969 -10.817 1.00 0.00 S ATOM 0 H CYS A 31 -13.523 -1.326 -9.606 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.050 -3.028 -11.777 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.283 -1.792 -10.504 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.571 -2.819 -9.114 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.185 -3.658 -10.347 1.00 0.00 H new ATOM 468 N SER A 32 -13.649 -5.335 -10.637 1.00 0.00 N ATOM 469 CA SER A 32 -13.895 -6.258 -9.721 1.00 0.00 C ATOM 470 C SER A 32 -12.674 -7.068 -9.681 1.00 0.00 C ATOM 471 O SER A 32 -12.507 -8.076 -10.358 1.00 0.00 O ATOM 472 CB SER A 32 -15.094 -7.103 -10.213 1.00 0.00 C ATOM 473 OG SER A 32 -14.917 -7.493 -11.576 1.00 0.00 O ATOM 0 H SER A 32 -13.669 -5.555 -11.633 1.00 0.00 H new ATOM 0 HA SER A 32 -14.139 -5.856 -8.738 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.200 -7.989 -9.588 1.00 0.00 H new ATOM 0 HB3 SER A 32 -16.015 -6.529 -10.111 1.00 0.00 H new ATOM 0 HG SER A 32 -14.018 -7.864 -11.696 1.00 0.00 H new ATOM 479 N LEU A 33 -11.770 -6.522 -8.964 1.00 0.00 N ATOM 480 CA LEU A 33 -10.905 -7.014 -8.181 1.00 0.00 C ATOM 481 C LEU A 33 -11.279 -6.447 -6.813 1.00 0.00 C ATOM 482 O LEU A 33 -10.882 -5.355 -6.522 1.00 0.00 O ATOM 483 CB LEU A 33 -9.537 -6.694 -8.689 1.00 0.00 C ATOM 484 CG LEU A 33 -8.457 -7.139 -7.834 1.00 0.00 C ATOM 485 CD1 LEU A 33 -8.799 -8.376 -7.152 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.244 -7.311 -8.574 1.00 0.00 C ATOM 0 H LEU A 33 -11.677 -5.506 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.891 -8.102 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.414 -7.147 -9.673 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.456 -5.615 -8.822 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.300 -6.361 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.968 -8.684 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.686 -8.220 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.001 -9.154 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.453 -7.646 -7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.397 -8.056 -9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.957 -6.363 -9.028 1.00 0.00 H new ATOM 498 N PRO A 34 -12.163 -7.023 -6.087 1.00 0.00 N ATOM 499 CA PRO A 34 -12.461 -6.610 -4.706 1.00 0.00 C ATOM 500 C PRO A 34 -11.301 -6.636 -3.793 1.00 0.00 C ATOM 501 O PRO A 34 -11.323 -5.981 -2.770 1.00 0.00 O ATOM 502 CB PRO A 34 -13.569 -7.520 -4.309 1.00 0.00 C ATOM 503 CG PRO A 34 -14.255 -7.639 -5.619 1.00 0.00 C ATOM 504 CD PRO A 34 -13.126 -7.925 -6.565 1.00 0.00 C ATOM 0 HA PRO A 34 -12.742 -5.559 -4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.212 -8.479 -3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.208 -7.092 -3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.993 -8.441 -5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.781 -6.722 -5.884 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.789 -8.960 -6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.396 -7.733 -7.604 1.00 0.00 H new ATOM 512 N SER A 35 -10.277 -7.356 -4.126 1.00 0.00 N ATOM 513 CA SER A 35 -9.115 -7.163 -3.391 1.00 0.00 C ATOM 514 C SER A 35 -8.397 -5.848 -3.845 1.00 0.00 C ATOM 515 O SER A 35 -7.717 -5.200 -3.021 1.00 0.00 O ATOM 516 CB SER A 35 -8.258 -8.430 -3.266 1.00 0.00 C ATOM 517 OG SER A 35 -7.793 -8.924 -4.492 1.00 0.00 O ATOM 0 H SER A 35 -10.239 -8.049 -4.873 1.00 0.00 H new ATOM 0 HA SER A 35 -9.370 -6.987 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.404 -8.217 -2.624 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.843 -9.205 -2.771 1.00 0.00 H new ATOM 0 HG SER A 35 -7.255 -9.728 -4.338 1.00 0.00 H new ATOM 523 N CYS A 36 -8.650 -5.364 -5.147 1.00 0.00 N ATOM 524 CA CYS A 36 -8.181 -4.070 -5.501 1.00 0.00 C ATOM 525 C CYS A 36 -8.976 -3.125 -4.675 1.00 0.00 C ATOM 526 O CYS A 36 -8.426 -2.288 -4.001 1.00 0.00 O ATOM 527 CB CYS A 36 -8.369 -3.641 -6.990 1.00 0.00 C ATOM 528 SG CYS A 36 -7.802 -1.970 -7.312 1.00 0.00 S ATOM 0 H CYS A 36 -9.151 -5.869 -5.878 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.103 -4.070 -5.338 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.827 -4.334 -7.634 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.423 -3.719 -7.255 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.699 -2.011 -7.999 1.00 0.00 H new ATOM 534 N GLN A 37 -10.324 -3.347 -4.732 1.00 0.00 N ATOM 535 CA GLN A 37 -11.363 -2.595 -4.017 1.00 0.00 C ATOM 536 C GLN A 37 -11.009 -2.373 -2.684 1.00 0.00 C ATOM 537 O GLN A 37 -11.048 -1.283 -2.237 1.00 0.00 O ATOM 538 CB GLN A 37 -12.743 -3.239 -4.040 1.00 0.00 C ATOM 539 CG GLN A 37 -13.403 -3.411 -5.439 1.00 0.00 C ATOM 540 CD GLN A 37 -14.824 -3.927 -5.324 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.162 -4.645 -4.390 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.649 -3.558 -6.254 1.00 0.00 N ATOM 0 H GLN A 37 -10.717 -4.092 -5.308 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.429 -1.655 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.669 -4.222 -3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.410 -2.641 -3.419 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.403 -2.455 -5.962 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.811 -4.102 -6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.326 -2.959 -7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.621 -3.866 -6.225 1.00 0.00 H new ATOM 551 N LYS A 38 -10.668 -3.367 -2.066 1.00 0.00 N ATOM 552 CA LYS A 38 -10.344 -3.308 -0.776 1.00 0.00 C ATOM 553 C LYS A 38 -9.142 -2.409 -0.460 1.00 0.00 C ATOM 554 O LYS A 38 -9.205 -1.595 0.405 1.00 0.00 O ATOM 555 CB LYS A 38 -10.073 -4.608 -0.348 1.00 0.00 C ATOM 556 CG LYS A 38 -9.306 -4.580 0.885 1.00 0.00 C ATOM 557 CD LYS A 38 -9.670 -5.591 1.760 1.00 0.00 C ATOM 558 CE LYS A 38 -9.442 -6.941 1.151 1.00 0.00 C ATOM 559 NZ LYS A 38 -9.956 -8.032 2.000 1.00 0.00 N ATOM 0 H LYS A 38 -10.605 -4.299 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.188 -2.860 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.006 -5.149 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.518 -5.144 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.245 -4.671 0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.443 -3.615 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.095 -5.503 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.721 -5.483 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.927 -6.984 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.375 -7.086 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.701 -8.948 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.539 -7.959 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.991 -7.959 2.070 1.00 0.00 H new ATOM 573 N MET A 39 -8.055 -2.633 -1.146 1.00 0.00 N ATOM 574 CA MET A 39 -6.807 -1.893 -0.904 1.00 0.00 C ATOM 575 C MET A 39 -7.028 -0.443 -1.148 1.00 0.00 C ATOM 576 O MET A 39 -6.519 0.429 -0.488 1.00 0.00 O ATOM 577 CB MET A 39 -5.758 -2.316 -1.891 1.00 0.00 C ATOM 578 CG MET A 39 -4.963 -3.482 -1.529 1.00 0.00 C ATOM 579 SD MET A 39 -3.417 -3.135 -0.665 1.00 0.00 S ATOM 580 CE MET A 39 -3.964 -2.109 0.640 1.00 0.00 C ATOM 0 H MET A 39 -7.990 -3.327 -1.890 1.00 0.00 H new ATOM 0 HA MET A 39 -6.497 -2.091 0.122 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.247 -2.518 -2.844 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.081 -1.477 -2.051 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.571 -4.133 -0.901 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.733 -4.039 -2.437 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.122 -1.862 1.286 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.388 -1.193 0.229 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.724 -2.632 1.220 1.00 0.00 H new ATOM 590 N LYS A 40 -7.732 -0.271 -2.158 1.00 0.00 N ATOM 591 CA LYS A 40 -8.216 0.942 -2.703 1.00 0.00 C ATOM 592 C LYS A 40 -9.013 1.625 -1.644 1.00 0.00 C ATOM 593 O LYS A 40 -8.778 2.705 -1.326 1.00 0.00 O ATOM 594 CB LYS A 40 -9.140 0.481 -3.713 1.00 0.00 C ATOM 595 CG LYS A 40 -9.191 1.179 -4.923 1.00 0.00 C ATOM 596 CD LYS A 40 -10.089 0.412 -5.838 1.00 0.00 C ATOM 597 CE LYS A 40 -9.782 0.685 -7.230 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.230 2.007 -7.623 1.00 0.00 N ATOM 0 H LYS A 40 -8.037 -1.070 -2.715 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.440 1.612 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.899 -0.558 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.140 0.490 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.571 2.189 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.194 1.275 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.984 -0.655 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.128 0.673 -5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.707 0.601 -7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.258 -0.065 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.489 2.472 -8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.096 1.925 -8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.427 2.574 -6.773 1.00 0.00 H new ATOM 612 N ARG A 41 -9.860 0.834 -1.023 1.00 0.00 N ATOM 613 CA ARG A 41 -10.781 1.182 0.088 1.00 0.00 C ATOM 614 C ARG A 41 -10.062 1.319 1.290 1.00 0.00 C ATOM 615 O ARG A 41 -10.597 1.673 2.264 1.00 0.00 O ATOM 616 CB ARG A 41 -11.754 0.135 0.301 1.00 0.00 C ATOM 617 CG ARG A 41 -12.977 0.256 -0.563 1.00 0.00 C ATOM 618 CD ARG A 41 -13.996 -0.716 -0.116 1.00 0.00 C ATOM 619 NE ARG A 41 -15.185 -0.729 -0.978 1.00 0.00 N ATOM 620 CZ ARG A 41 -16.128 -1.689 -0.977 1.00 0.00 C ATOM 621 NH1 ARG A 41 -16.031 -2.723 -0.150 1.00 0.00 N ATOM 622 NH2 ARG A 41 -17.157 -1.617 -1.814 1.00 0.00 N ATOM 0 H ARG A 41 -9.946 -0.148 -1.286 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.276 2.114 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.282 -0.830 0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.058 0.143 1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.376 1.269 -0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.718 0.073 -1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.556 -1.713 -0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.295 -0.479 0.905 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.305 0.049 -1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.239 -2.793 0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.749 -3.448 -0.153 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.234 -0.832 -2.461 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.870 -2.347 -1.810 1.00 0.00 H new ATOM 636 N VAL A 42 -8.876 0.891 1.251 1.00 0.00 N ATOM 637 CA VAL A 42 -8.024 1.034 2.258 1.00 0.00 C ATOM 638 C VAL A 42 -7.322 2.345 2.147 1.00 0.00 C ATOM 639 O VAL A 42 -7.250 3.061 3.105 1.00 0.00 O ATOM 640 CB VAL A 42 -7.170 -0.189 2.538 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.743 0.202 2.784 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.772 -0.763 3.730 1.00 0.00 C ATOM 0 H VAL A 42 -8.483 0.404 0.445 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.586 1.084 3.190 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.143 -0.890 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.150 -0.691 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.349 0.712 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.692 0.870 3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.224 -1.660 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.734 -0.037 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.810 -1.023 3.524 1.00 0.00 H new ATOM 652 N VAL A 43 -6.852 2.673 0.959 1.00 0.00 N ATOM 653 CA VAL A 43 -6.435 3.972 0.631 1.00 0.00 C ATOM 654 C VAL A 43 -7.540 4.909 0.954 1.00 0.00 C ATOM 655 O VAL A 43 -7.374 5.853 1.683 1.00 0.00 O ATOM 656 CB VAL A 43 -6.105 4.054 -0.866 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.908 5.462 -1.236 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.884 3.142 -1.301 1.00 0.00 C ATOM 0 H VAL A 43 -6.758 2.006 0.193 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.541 4.233 1.197 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.953 3.649 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.673 5.530 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.819 6.023 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.085 5.879 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.711 3.253 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.991 3.446 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.110 2.100 -1.076 1.00 0.00 H new ATOM 668 N GLN A 44 -8.663 4.558 0.505 1.00 0.00 N ATOM 669 CA GLN A 44 -9.801 5.328 0.639 1.00 0.00 C ATOM 670 C GLN A 44 -10.364 5.268 2.081 1.00 0.00 C ATOM 671 O GLN A 44 -11.025 6.208 2.535 1.00 0.00 O ATOM 672 CB GLN A 44 -10.774 4.910 -0.444 1.00 0.00 C ATOM 673 CG GLN A 44 -10.169 5.140 -1.833 1.00 0.00 C ATOM 674 CD GLN A 44 -10.137 6.587 -2.283 1.00 0.00 C ATOM 675 OE1 GLN A 44 -10.026 7.516 -1.478 1.00 0.00 O ATOM 676 NE2 GLN A 44 -10.224 6.796 -3.570 1.00 0.00 N ATOM 0 H GLN A 44 -8.817 3.680 0.009 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.581 6.386 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.030 3.857 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.700 5.477 -0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.151 4.750 -1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.737 4.561 -2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.315 6.007 -4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.201 7.748 -3.935 1.00 0.00 H new ATOM 685 N HIS A 45 -10.036 4.180 2.826 1.00 0.00 N ATOM 686 CA HIS A 45 -10.461 4.064 4.262 1.00 0.00 C ATOM 687 C HIS A 45 -9.696 5.037 4.983 1.00 0.00 C ATOM 688 O HIS A 45 -10.213 5.796 5.748 1.00 0.00 O ATOM 689 CB HIS A 45 -10.193 2.677 4.890 1.00 0.00 C ATOM 690 CG HIS A 45 -10.727 2.466 6.282 1.00 0.00 C ATOM 691 ND1 HIS A 45 -9.964 2.627 7.425 1.00 0.00 N ATOM 692 CD2 HIS A 45 -11.938 2.048 6.704 1.00 0.00 C ATOM 693 CE1 HIS A 45 -10.690 2.312 8.479 1.00 0.00 C ATOM 694 NE2 HIS A 45 -11.882 1.962 8.066 1.00 0.00 N ATOM 0 H HIS A 45 -9.495 3.388 2.477 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.539 4.217 4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.623 1.916 4.238 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -9.116 2.510 4.907 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -12.792 1.823 6.082 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.359 2.338 9.507 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -12.651 1.670 8.669 1.00 0.00 H new ATOM 703 N THR A 46 -8.450 4.954 4.721 1.00 0.00 N ATOM 704 CA THR A 46 -7.474 5.838 5.134 1.00 0.00 C ATOM 705 C THR A 46 -7.919 7.262 4.981 1.00 0.00 C ATOM 706 O THR A 46 -8.119 7.866 5.933 1.00 0.00 O ATOM 707 CB THR A 46 -6.159 5.501 4.369 1.00 0.00 C ATOM 708 OG1 THR A 46 -5.697 4.286 4.790 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.055 6.462 4.471 1.00 0.00 C ATOM 0 H THR A 46 -8.070 4.191 4.161 1.00 0.00 H new ATOM 0 HA THR A 46 -7.283 5.727 6.201 1.00 0.00 H new ATOM 0 HB THR A 46 -6.457 5.523 3.321 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.701 4.256 5.770 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.205 6.102 3.892 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.377 7.428 4.082 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.762 6.571 5.515 1.00 0.00 H new ATOM 717 N LYS A 47 -8.253 7.716 3.829 1.00 0.00 N ATOM 718 CA LYS A 47 -8.410 9.148 3.618 1.00 0.00 C ATOM 719 C LYS A 47 -9.697 9.663 4.219 1.00 0.00 C ATOM 720 O LYS A 47 -9.746 10.798 4.686 1.00 0.00 O ATOM 721 CB LYS A 47 -8.475 9.397 2.194 1.00 0.00 C ATOM 722 CG LYS A 47 -7.387 8.705 1.378 1.00 0.00 C ATOM 723 CD LYS A 47 -7.415 9.103 -0.050 1.00 0.00 C ATOM 724 CE LYS A 47 -6.468 10.215 -0.247 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.544 10.771 -1.614 1.00 0.00 N ATOM 0 H LYS A 47 -8.427 7.138 3.007 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.566 9.651 4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.448 9.073 1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.411 10.472 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.411 8.945 1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.511 7.625 1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.144 8.258 -0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.421 9.407 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.678 11.002 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.454 9.866 -0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.862 11.550 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.319 10.027 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.505 11.128 -1.791 1.00 0.00 H new ATOM 739 N GLY A 48 -10.734 8.835 4.204 1.00 0.00 N ATOM 740 CA GLY A 48 -11.961 9.239 4.824 1.00 0.00 C ATOM 741 C GLY A 48 -11.860 9.058 6.313 1.00 0.00 C ATOM 742 O GLY A 48 -12.731 9.495 7.076 1.00 0.00 O ATOM 0 H GLY A 48 -10.740 7.908 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.173 10.282 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.789 8.649 4.432 1.00 0.00 H new ATOM 746 N CYS A 49 -10.809 8.403 6.729 1.00 0.00 N ATOM 747 CA CYS A 49 -10.497 8.297 8.108 1.00 0.00 C ATOM 748 C CYS A 49 -9.474 9.407 8.421 1.00 0.00 C ATOM 749 O CYS A 49 -8.766 9.808 7.538 1.00 0.00 O ATOM 750 CB CYS A 49 -10.022 6.804 8.519 1.00 0.00 C ATOM 751 SG CYS A 49 -11.396 5.658 8.655 1.00 0.00 S ATOM 0 H CYS A 49 -10.150 7.930 6.110 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.381 8.449 8.727 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.316 6.433 7.776 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.491 6.844 9.470 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.596 5.082 7.507 1.00 0.00 H new ATOM 757 N LYS A 50 -9.490 10.042 9.564 1.00 0.00 N ATOM 758 CA LYS A 50 -8.274 10.800 9.907 1.00 0.00 C ATOM 759 C LYS A 50 -7.632 10.263 11.149 1.00 0.00 C ATOM 760 O LYS A 50 -6.464 10.583 11.527 1.00 0.00 O ATOM 761 CB LYS A 50 -8.443 12.266 9.903 1.00 0.00 C ATOM 762 CG LYS A 50 -7.116 12.966 9.684 1.00 0.00 C ATOM 763 CD LYS A 50 -6.698 12.929 8.210 1.00 0.00 C ATOM 764 CE LYS A 50 -7.394 14.001 7.386 1.00 0.00 C ATOM 765 NZ LYS A 50 -6.896 15.352 7.705 1.00 0.00 N ATOM 0 H LYS A 50 -10.255 10.065 10.238 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.571 10.634 9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.143 12.553 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.876 12.588 10.850 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.190 14.001 10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.348 12.490 10.293 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.619 13.062 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.927 11.948 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.242 13.799 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.468 13.958 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.183 16.014 6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.295 15.663 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.858 15.333 7.771 1.00 0.00 H new ATOM 779 N ARG A 51 -8.291 9.257 11.672 1.00 0.00 N ATOM 780 CA ARG A 51 -7.809 8.523 12.766 1.00 0.00 C ATOM 781 C ARG A 51 -6.644 7.667 12.292 1.00 0.00 C ATOM 782 O ARG A 51 -6.018 6.958 13.087 1.00 0.00 O ATOM 783 CB ARG A 51 -8.890 7.690 13.475 1.00 0.00 C ATOM 784 CG ARG A 51 -10.123 8.471 13.935 1.00 0.00 C ATOM 785 CD ARG A 51 -9.819 9.496 15.030 1.00 0.00 C ATOM 786 NE ARG A 51 -10.960 10.389 15.256 1.00 0.00 N ATOM 787 CZ ARG A 51 -11.033 11.323 16.216 1.00 0.00 C ATOM 788 NH1 ARG A 51 -10.128 11.363 17.198 1.00 0.00 N ATOM 789 NH2 ARG A 51 -12.039 12.192 16.210 1.00 0.00 N ATOM 0 H ARG A 51 -9.195 8.937 11.325 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.470 9.225 13.528 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.214 6.897 12.801 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.442 7.207 14.343 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.559 8.984 13.078 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.872 7.770 14.302 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.570 8.978 15.957 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.945 10.083 14.749 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.762 10.292 14.633 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.372 10.679 17.223 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.193 12.078 17.923 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.749 12.146 15.479 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.101 12.905 16.937 1.00 0.00 H new ATOM 803 N LYS A 52 -6.400 7.768 10.962 1.00 0.00 N ATOM 804 CA LYS A 52 -5.483 7.018 10.202 1.00 0.00 C ATOM 805 C LYS A 52 -4.197 6.833 10.934 1.00 0.00 C ATOM 806 O LYS A 52 -3.913 5.743 11.445 1.00 0.00 O ATOM 807 CB LYS A 52 -5.155 7.951 8.989 1.00 0.00 C ATOM 808 CG LYS A 52 -6.239 8.253 8.041 1.00 0.00 C ATOM 809 CD LYS A 52 -5.889 9.490 7.222 1.00 0.00 C ATOM 810 CE LYS A 52 -5.594 9.309 5.775 1.00 0.00 C ATOM 811 NZ LYS A 52 -5.543 10.617 5.104 1.00 0.00 N ATOM 0 H LYS A 52 -6.903 8.443 10.386 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.893 6.039 9.953 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.784 8.896 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.338 7.497 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.401 7.403 7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.171 8.417 8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.717 10.193 7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.021 9.961 7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.643 8.790 5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.360 8.685 5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.020 10.528 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.510 10.945 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.063 11.304 5.719 1.00 0.00 H new ATOM 825 N THR A 53 -3.433 7.849 11.014 1.00 0.00 N ATOM 826 CA THR A 53 -2.424 7.914 11.861 1.00 0.00 C ATOM 827 C THR A 53 -2.790 8.596 13.192 1.00 0.00 C ATOM 828 O THR A 53 -2.225 8.270 14.230 1.00 0.00 O ATOM 829 CB THR A 53 -1.206 8.438 11.166 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.610 9.566 10.356 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.666 7.326 10.267 1.00 0.00 C ATOM 0 H THR A 53 -3.542 8.682 10.435 1.00 0.00 H new ATOM 0 HA THR A 53 -2.168 6.907 12.189 1.00 0.00 H new ATOM 0 HB THR A 53 -0.438 8.747 11.876 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.243 10.120 10.859 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.224 7.679 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.410 6.458 10.875 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.426 7.046 9.538 1.00 0.00 H new ATOM 839 N ASN A 54 -3.808 9.548 13.150 1.00 0.00 N ATOM 840 CA ASN A 54 -4.025 10.476 14.292 1.00 0.00 C ATOM 841 C ASN A 54 -4.481 9.777 15.519 1.00 0.00 C ATOM 842 O ASN A 54 -4.218 10.201 16.642 1.00 0.00 O ATOM 843 CB ASN A 54 -5.024 11.557 13.951 1.00 0.00 C ATOM 844 CG ASN A 54 -4.954 12.754 14.892 1.00 0.00 C ATOM 845 OD1 ASN A 54 -3.881 13.085 15.407 1.00 0.00 O ATOM 846 ND2 ASN A 54 -6.060 13.423 15.095 1.00 0.00 N ATOM 0 H ASN A 54 -4.450 9.672 12.367 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.052 10.925 14.489 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.850 11.895 12.929 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.029 11.137 13.981 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.054 14.248 15.695 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.928 13.120 14.653 1.00 0.00 H new ATOM 853 N GLY A 55 -5.120 8.721 15.310 1.00 0.00 N ATOM 854 CA GLY A 55 -5.648 7.986 16.411 1.00 0.00 C ATOM 855 C GLY A 55 -4.836 6.798 16.595 1.00 0.00 C ATOM 856 O GLY A 55 -4.145 6.602 17.598 1.00 0.00 O ATOM 0 H GLY A 55 -5.305 8.322 14.390 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.639 8.596 17.314 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.686 7.711 16.222 1.00 0.00 H new ATOM 860 N GLY A 56 -4.895 6.052 15.597 1.00 0.00 N ATOM 861 CA GLY A 56 -4.190 4.861 15.489 1.00 0.00 C ATOM 862 C GLY A 56 -5.033 3.852 14.910 1.00 0.00 C ATOM 863 O GLY A 56 -5.457 2.916 15.596 1.00 0.00 O ATOM 0 H GLY A 56 -5.469 6.261 14.780 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.303 5.006 14.872 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.845 4.541 16.472 1.00 0.00 H new ATOM 867 N CYS A 57 -5.378 4.042 13.679 1.00 0.00 N ATOM 868 CA CYS A 57 -6.110 2.990 13.038 1.00 0.00 C ATOM 869 C CYS A 57 -5.193 2.491 12.003 1.00 0.00 C ATOM 870 O CYS A 57 -5.245 3.015 10.874 1.00 0.00 O ATOM 871 CB CYS A 57 -7.462 3.460 12.388 1.00 0.00 C ATOM 872 SG CYS A 57 -8.617 2.122 11.955 1.00 0.00 S ATOM 0 H CYS A 57 -5.180 4.870 13.117 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.408 2.236 13.766 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.961 4.141 13.077 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.235 4.029 11.486 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.693 2.630 11.431 1.00 0.00 H new ATOM 878 N PRO A 58 -4.239 1.530 12.286 1.00 0.00 N ATOM 879 CA PRO A 58 -3.260 1.510 11.252 1.00 0.00 C ATOM 880 C PRO A 58 -3.568 0.598 10.054 1.00 0.00 C ATOM 881 O PRO A 58 -2.740 -0.245 9.679 1.00 0.00 O ATOM 882 CB PRO A 58 -2.345 0.533 12.038 1.00 0.00 C ATOM 883 CG PRO A 58 -3.380 -0.462 12.471 1.00 0.00 C ATOM 884 CD PRO A 58 -4.368 0.359 13.103 1.00 0.00 C ATOM 0 HA PRO A 58 -3.014 2.504 10.879 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.569 0.089 11.414 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.843 1.011 12.879 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.792 -1.011 11.624 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.968 -1.200 13.159 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.367 -0.076 13.062 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.147 0.551 14.153 1.00 0.00 H new ATOM 892 N ILE A 59 -4.301 1.114 9.240 1.00 0.00 N ATOM 893 CA ILE A 59 -4.420 0.767 7.973 1.00 0.00 C ATOM 894 C ILE A 59 -3.678 1.626 7.185 1.00 0.00 C ATOM 895 O ILE A 59 -2.778 1.262 6.638 1.00 0.00 O ATOM 896 CB ILE A 59 -5.823 0.403 7.634 1.00 0.00 C ATOM 897 CG1 ILE A 59 -6.189 0.469 6.232 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.880 0.910 8.586 1.00 0.00 C ATOM 899 CD1 ILE A 59 -6.804 1.783 5.799 1.00 0.00 C ATOM 0 H ILE A 59 -4.911 1.894 9.487 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.950 -0.186 7.731 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.806 -0.671 7.820 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.300 0.284 5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.893 -0.335 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.863 0.587 8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.694 0.510 9.583 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.847 1.999 8.620 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.045 1.739 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.714 1.965 6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.096 2.592 5.978 1.00 0.00 H new ATOM 911 N CYS A 60 -4.046 2.866 7.392 1.00 0.00 N ATOM 912 CA CYS A 60 -3.483 4.118 6.926 1.00 0.00 C ATOM 913 C CYS A 60 -2.114 4.273 7.392 1.00 0.00 C ATOM 914 O CYS A 60 -1.362 4.915 6.804 1.00 0.00 O ATOM 915 CB CYS A 60 -4.229 5.165 7.688 1.00 0.00 C ATOM 916 SG CYS A 60 -6.014 4.821 7.832 1.00 0.00 S ATOM 0 H CYS A 60 -4.864 3.049 7.974 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.534 4.171 5.838 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.801 5.251 8.687 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.090 6.129 7.198 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.251 4.225 8.963 1.00 0.00 H new ATOM 922 N LYS A 61 -1.870 3.770 8.520 1.00 0.00 N ATOM 923 CA LYS A 61 -0.617 3.864 9.112 1.00 0.00 C ATOM 924 C LYS A 61 0.235 2.874 8.557 1.00 0.00 C ATOM 925 O LYS A 61 1.340 3.194 8.162 1.00 0.00 O ATOM 926 CB LYS A 61 -0.701 3.688 10.528 1.00 0.00 C ATOM 927 CG LYS A 61 0.587 3.919 11.193 1.00 0.00 C ATOM 928 CD LYS A 61 0.521 3.322 12.536 1.00 0.00 C ATOM 929 CE LYS A 61 -0.657 3.814 13.404 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.421 3.511 14.827 1.00 0.00 N ATOM 0 H LYS A 61 -2.559 3.264 9.076 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.214 4.858 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.445 4.373 10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.045 2.677 10.747 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.398 3.473 10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.794 4.987 11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.452 2.239 12.434 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.453 3.534 13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.787 4.888 13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.581 3.338 13.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.225 3.850 15.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.320 2.483 14.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.449 3.985 15.143 1.00 0.00 H new ATOM 944 N GLN A 62 -0.235 1.640 8.480 1.00 0.00 N ATOM 945 CA GLN A 62 0.623 0.728 7.868 1.00 0.00 C ATOM 946 C GLN A 62 0.615 0.871 6.359 1.00 0.00 C ATOM 947 O GLN A 62 1.502 0.456 5.723 1.00 0.00 O ATOM 948 CB GLN A 62 0.497 -0.643 8.429 1.00 0.00 C ATOM 949 CG GLN A 62 0.712 -0.590 9.965 1.00 0.00 C ATOM 950 CD GLN A 62 0.474 -1.886 10.778 1.00 0.00 C ATOM 951 OE1 GLN A 62 -0.012 -1.790 11.906 1.00 0.00 O ATOM 952 NE2 GLN A 62 0.942 -3.040 10.369 1.00 0.00 N ATOM 0 H GLN A 62 -1.136 1.295 8.813 1.00 0.00 H new ATOM 0 HA GLN A 62 1.651 0.981 8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.487 -1.052 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.231 -1.305 7.970 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.736 -0.265 10.148 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.056 0.182 10.367 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.345 -3.125 9.436 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.903 -3.853 10.984 1.00 0.00 H new ATOM 961 N LEU A 63 -0.400 1.508 5.861 1.00 0.00 N ATOM 962 CA LEU A 63 -0.540 1.997 4.504 1.00 0.00 C ATOM 963 C LEU A 63 0.373 3.166 4.244 1.00 0.00 C ATOM 964 O LEU A 63 1.011 3.154 3.306 1.00 0.00 O ATOM 965 CB LEU A 63 -1.967 2.354 4.240 1.00 0.00 C ATOM 966 CG LEU A 63 -2.284 3.272 3.150 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.674 2.828 1.928 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.671 3.206 2.949 1.00 0.00 C ATOM 0 H LEU A 63 -1.220 1.721 6.428 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.245 1.204 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.508 1.426 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.373 2.782 5.157 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.932 4.272 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.920 3.523 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.592 2.788 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.046 1.835 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.954 3.879 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.953 2.186 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.186 3.502 3.863 1.00 0.00 H new ATOM 980 N ILE A 64 0.359 4.205 5.057 1.00 0.00 N ATOM 981 CA ILE A 64 1.371 5.279 4.977 1.00 0.00 C ATOM 982 C ILE A 64 2.694 4.661 5.009 1.00 0.00 C ATOM 983 O ILE A 64 3.526 5.018 4.271 1.00 0.00 O ATOM 984 CB ILE A 64 1.268 6.284 6.173 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.152 7.305 5.988 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.614 6.871 6.618 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.041 8.371 7.055 1.00 0.00 C ATOM 0 H ILE A 64 -0.339 4.342 5.788 1.00 0.00 H new ATOM 0 HA ILE A 64 1.201 5.836 4.056 1.00 0.00 H new ATOM 0 HB ILE A 64 0.963 5.690 7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.293 7.797 5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.797 6.771 5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.455 7.557 7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.276 6.065 6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.069 7.409 5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.787 9.039 6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.138 7.901 8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.968 8.943 7.096 1.00 0.00 H new ATOM 999 N ALA A 65 2.857 3.748 5.902 1.00 0.00 N ATOM 1000 CA ALA A 65 4.029 2.996 5.980 1.00 0.00 C ATOM 1001 C ALA A 65 4.286 2.374 4.625 1.00 0.00 C ATOM 1002 O ALA A 65 5.219 2.700 3.950 1.00 0.00 O ATOM 1003 CB ALA A 65 3.842 1.926 6.991 1.00 0.00 C ATOM 0 H ALA A 65 2.158 3.510 6.605 1.00 0.00 H new ATOM 0 HA ALA A 65 4.873 3.624 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.752 1.330 7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.626 2.375 7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.011 1.286 6.694 1.00 0.00 H new ATOM 1009 N LEU A 66 3.376 1.584 4.236 1.00 0.00 N ATOM 1010 CA LEU A 66 3.370 0.912 3.013 1.00 0.00 C ATOM 1011 C LEU A 66 3.664 1.840 1.782 1.00 0.00 C ATOM 1012 O LEU A 66 4.611 1.615 1.030 1.00 0.00 O ATOM 1013 CB LEU A 66 2.034 0.214 2.906 1.00 0.00 C ATOM 1014 CG LEU A 66 1.656 -0.195 1.546 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.470 -1.288 1.188 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.225 -0.561 1.335 1.00 0.00 C ATOM 0 H LEU A 66 2.556 1.375 4.806 1.00 0.00 H new ATOM 0 HA LEU A 66 4.187 0.191 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.050 -0.670 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.262 0.876 3.298 1.00 0.00 H new ATOM 0 HG LEU A 66 1.803 0.684 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.215 -1.617 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.517 -0.987 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.309 -2.107 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.072 -0.844 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.035 -1.399 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.408 0.293 1.576 1.00 0.00 H new ATOM 1028 N ALA A 67 2.863 2.852 1.640 1.00 0.00 N ATOM 1029 CA ALA A 67 2.910 3.818 0.632 1.00 0.00 C ATOM 1030 C ALA A 67 4.182 4.677 0.687 1.00 0.00 C ATOM 1031 O ALA A 67 4.836 4.860 -0.321 1.00 0.00 O ATOM 1032 CB ALA A 67 1.649 4.657 0.716 1.00 0.00 C ATOM 0 H ALA A 67 2.099 3.020 2.295 1.00 0.00 H new ATOM 0 HA ALA A 67 2.954 3.317 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.666 5.418 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.777 4.018 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.597 5.139 1.692 1.00 0.00 H new ATOM 1038 N ALA A 68 4.504 5.215 1.846 1.00 0.00 N ATOM 1039 CA ALA A 68 5.698 6.058 2.054 1.00 0.00 C ATOM 1040 C ALA A 68 6.981 5.334 1.914 1.00 0.00 C ATOM 1041 O ALA A 68 7.931 5.854 1.373 1.00 0.00 O ATOM 1042 CB ALA A 68 5.709 6.703 3.398 1.00 0.00 C ATOM 0 H ALA A 68 3.946 5.086 2.690 1.00 0.00 H new ATOM 0 HA ALA A 68 5.620 6.804 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.607 7.312 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.827 7.335 3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.701 5.934 4.171 1.00 0.00 H new ATOM 1048 N TYR A 69 7.043 4.171 2.442 1.00 0.00 N ATOM 1049 CA TYR A 69 8.201 3.396 2.382 1.00 0.00 C ATOM 1050 C TYR A 69 8.335 2.826 0.993 1.00 0.00 C ATOM 1051 O TYR A 69 9.427 2.473 0.544 1.00 0.00 O ATOM 1052 CB TYR A 69 8.095 2.401 3.464 1.00 0.00 C ATOM 1053 CG TYR A 69 8.012 3.079 4.857 1.00 0.00 C ATOM 1054 CD1 TYR A 69 8.575 4.327 5.091 1.00 0.00 C ATOM 1055 CD2 TYR A 69 7.322 2.507 5.890 1.00 0.00 C ATOM 1056 CE1 TYR A 69 8.464 4.962 6.301 1.00 0.00 C ATOM 1057 CE2 TYR A 69 7.202 3.154 7.111 1.00 0.00 C ATOM 1058 CZ TYR A 69 7.773 4.371 7.303 1.00 0.00 C ATOM 1059 OH TYR A 69 7.646 4.999 8.518 1.00 0.00 O ATOM 0 H TYR A 69 6.268 3.730 2.937 1.00 0.00 H new ATOM 0 HA TYR A 69 9.120 3.958 2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.211 1.784 3.306 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.958 1.736 3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.118 4.813 4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.864 1.538 5.753 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.925 5.927 6.453 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.651 2.687 7.914 1.00 0.00 H new ATOM 0 HH TYR A 69 7.119 4.437 9.123 1.00 0.00 H new ATOM 1069 N HIS A 70 7.200 2.784 0.300 1.00 0.00 N ATOM 1070 CA HIS A 70 7.199 2.536 -1.152 1.00 0.00 C ATOM 1071 C HIS A 70 7.807 3.712 -1.815 1.00 0.00 C ATOM 1072 O HIS A 70 8.718 3.575 -2.541 1.00 0.00 O ATOM 1073 CB HIS A 70 5.801 2.396 -1.789 1.00 0.00 C ATOM 1074 CG HIS A 70 5.848 2.101 -3.275 1.00 0.00 C ATOM 1075 ND1 HIS A 70 6.658 1.133 -3.839 1.00 0.00 N ATOM 1076 CD2 HIS A 70 5.183 2.670 -4.310 1.00 0.00 C ATOM 1077 CE1 HIS A 70 6.483 1.127 -5.140 1.00 0.00 C ATOM 1078 NE2 HIS A 70 5.600 2.035 -5.452 1.00 0.00 N ATOM 0 H HIS A 70 6.275 2.916 0.709 1.00 0.00 H new ATOM 0 HA HIS A 70 7.733 1.595 -1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.257 1.598 -1.284 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.241 3.317 -1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.462 3.471 -4.247 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.988 0.476 -5.838 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.272 2.240 -6.396 1.00 0.00 H new ATOM 1087 N ALA A 71 7.194 4.857 -1.555 1.00 0.00 N ATOM 1088 CA ALA A 71 7.529 6.185 -2.061 1.00 0.00 C ATOM 1089 C ALA A 71 8.966 6.426 -1.990 1.00 0.00 C ATOM 1090 O ALA A 71 9.586 6.855 -2.933 1.00 0.00 O ATOM 1091 CB ALA A 71 6.886 7.146 -1.143 1.00 0.00 C ATOM 0 H ALA A 71 6.384 4.887 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 71 7.203 6.280 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.102 8.163 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.808 6.985 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.273 7.001 -0.134 1.00 0.00 H new ATOM 1097 N LYS A 72 9.459 6.112 -0.854 1.00 0.00 N ATOM 1098 CA LYS A 72 10.837 6.216 -0.493 1.00 0.00 C ATOM 1099 C LYS A 72 11.726 5.570 -1.594 1.00 0.00 C ATOM 1100 O LYS A 72 12.846 6.021 -1.872 1.00 0.00 O ATOM 1101 CB LYS A 72 11.038 5.504 0.839 1.00 0.00 C ATOM 1102 CG LYS A 72 11.455 6.387 1.956 1.00 0.00 C ATOM 1103 CD LYS A 72 10.939 5.776 3.197 1.00 0.00 C ATOM 1104 CE LYS A 72 11.402 6.453 4.457 1.00 0.00 C ATOM 1105 NZ LYS A 72 11.010 7.877 4.519 1.00 0.00 N ATOM 0 H LYS A 72 8.881 5.751 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 72 11.124 7.263 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.108 5.007 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.789 4.725 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.541 6.478 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.055 7.392 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.849 5.790 3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.243 4.730 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.988 5.929 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.487 6.376 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.310 8.280 5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.467 8.397 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.977 7.957 4.429 1.00 0.00 H new ATOM 1119 N HIS A 73 11.203 4.499 -2.186 1.00 0.00 N ATOM 1120 CA HIS A 73 11.836 3.835 -3.342 1.00 0.00 C ATOM 1121 C HIS A 73 10.969 3.887 -4.699 1.00 0.00 C ATOM 1122 O HIS A 73 11.399 3.333 -5.693 1.00 0.00 O ATOM 1123 CB HIS A 73 12.259 2.367 -2.982 1.00 0.00 C ATOM 1124 CG HIS A 73 13.165 1.711 -3.991 1.00 0.00 C ATOM 1125 ND1 HIS A 73 12.899 0.485 -4.544 1.00 0.00 N ATOM 1126 CD2 HIS A 73 14.346 2.110 -4.519 1.00 0.00 C ATOM 1127 CE1 HIS A 73 13.872 0.159 -5.370 1.00 0.00 C ATOM 1128 NE2 HIS A 73 14.758 1.126 -5.372 1.00 0.00 N ATOM 0 H HIS A 73 10.332 4.062 -1.886 1.00 0.00 H new ATOM 0 HA HIS A 73 12.731 4.417 -3.561 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.760 2.374 -2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.360 1.760 -2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.865 3.033 -4.306 1.00 0.00 H new ATOM 0 HE1 HIS A 73 13.930 -0.751 -5.948 1.00 0.00 H new ATOM 0 HE2 HIS A 73 15.617 1.141 -5.922 1.00 0.00 H new ATOM 1137 N CYS A 74 9.777 4.554 -4.754 1.00 0.00 N ATOM 1138 CA CYS A 74 9.069 4.644 -6.028 1.00 0.00 C ATOM 1139 C CYS A 74 9.466 6.011 -6.564 1.00 0.00 C ATOM 1140 O CYS A 74 9.001 7.008 -6.011 1.00 0.00 O ATOM 1141 CB CYS A 74 7.431 4.611 -5.916 1.00 0.00 C ATOM 1142 SG CYS A 74 6.617 4.455 -7.523 1.00 0.00 S ATOM 0 H CYS A 74 9.321 5.009 -3.964 1.00 0.00 H new ATOM 0 HA CYS A 74 9.333 3.786 -6.646 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.132 3.777 -5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.087 5.523 -5.427 1.00 0.00 H new ATOM 0 HG CYS A 74 5.328 4.433 -7.356 1.00 0.00 H new ATOM 1148 N GLN A 75 10.332 6.127 -7.588 1.00 0.00 N ATOM 1149 CA GLN A 75 10.613 7.465 -8.063 1.00 0.00 C ATOM 1150 C GLN A 75 9.525 7.847 -9.042 1.00 0.00 C ATOM 1151 O GLN A 75 9.640 7.584 -10.250 1.00 0.00 O ATOM 1152 CB GLN A 75 12.041 7.640 -8.709 1.00 0.00 C ATOM 1153 CG GLN A 75 13.239 7.621 -7.721 1.00 0.00 C ATOM 1154 CD GLN A 75 12.964 7.017 -6.330 1.00 0.00 C ATOM 1155 OE1 GLN A 75 13.147 5.819 -6.123 1.00 0.00 O ATOM 1156 NE2 GLN A 75 12.545 7.834 -5.360 1.00 0.00 N ATOM 0 H GLN A 75 10.811 5.363 -8.064 1.00 0.00 H new ATOM 0 HA GLN A 75 10.622 8.130 -7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.187 6.846 -9.442 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.059 8.584 -9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 75 14.054 7.063 -8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.589 8.645 -7.587 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.400 8.825 -5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 75 12.370 7.467 -4.424 1.00 0.00 H new ATOM 1165 N GLU A 76 8.457 8.428 -8.523 1.00 0.00 N ATOM 1166 CA GLU A 76 7.318 8.805 -9.281 1.00 0.00 C ATOM 1167 C GLU A 76 6.595 9.841 -8.513 1.00 0.00 C ATOM 1168 O GLU A 76 6.459 9.728 -7.289 1.00 0.00 O ATOM 1169 CB GLU A 76 6.399 7.604 -9.593 1.00 0.00 C ATOM 1170 CG GLU A 76 5.091 8.019 -10.267 1.00 0.00 C ATOM 1171 CD GLU A 76 4.257 6.846 -10.748 1.00 0.00 C ATOM 1172 OE1 GLU A 76 4.566 6.299 -11.831 1.00 0.00 O ATOM 1173 OE2 GLU A 76 3.281 6.455 -10.081 1.00 0.00 O ATOM 0 H GLU A 76 8.375 8.649 -7.531 1.00 0.00 H new ATOM 0 HA GLU A 76 7.638 9.194 -10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.929 6.905 -10.239 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.174 7.075 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.502 8.610 -9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.318 8.665 -11.115 1.00 0.00 H new ATOM 1180 N ASN A 77 6.179 10.864 -9.185 1.00 0.00 N ATOM 1181 CA ASN A 77 5.541 11.918 -8.506 1.00 0.00 C ATOM 1182 C ASN A 77 4.117 12.085 -8.996 1.00 0.00 C ATOM 1183 O ASN A 77 3.350 12.920 -8.500 1.00 0.00 O ATOM 1184 CB ASN A 77 6.403 13.156 -8.584 1.00 0.00 C ATOM 1185 CG ASN A 77 6.006 14.230 -7.575 1.00 0.00 C ATOM 1186 OD1 ASN A 77 5.204 15.120 -7.868 1.00 0.00 O ATOM 1187 ND2 ASN A 77 6.559 14.154 -6.392 1.00 0.00 N ATOM 0 H ASN A 77 6.273 10.983 -10.194 1.00 0.00 H new ATOM 0 HA ASN A 77 5.437 11.695 -7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.444 12.877 -8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.341 13.571 -9.590 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.331 14.845 -5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.218 13.404 -6.184 1.00 0.00 H new ATOM 1194 N LYS A 78 3.776 11.284 -9.991 1.00 0.00 N ATOM 1195 CA LYS A 78 2.418 11.209 -10.497 1.00 0.00 C ATOM 1196 C LYS A 78 1.595 10.644 -9.388 1.00 0.00 C ATOM 1197 O LYS A 78 2.039 9.731 -8.720 1.00 0.00 O ATOM 1198 CB LYS A 78 2.339 10.343 -11.738 1.00 0.00 C ATOM 1199 CG LYS A 78 1.101 10.609 -12.553 1.00 0.00 C ATOM 1200 CD LYS A 78 1.325 10.195 -13.970 1.00 0.00 C ATOM 1201 CE LYS A 78 1.563 8.698 -14.101 1.00 0.00 C ATOM 1202 NZ LYS A 78 1.787 8.288 -15.498 1.00 0.00 N ATOM 0 H LYS A 78 4.433 10.668 -10.470 1.00 0.00 H new ATOM 0 HA LYS A 78 2.055 12.192 -10.796 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.220 10.518 -12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.358 9.293 -11.446 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.256 10.062 -12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.848 11.668 -12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.460 10.477 -14.570 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.182 10.734 -14.373 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.427 8.416 -13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.705 8.159 -13.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.944 7.261 -15.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.953 8.533 -16.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.622 8.781 -15.875 1.00 0.00 H new ATOM 1216 N CYS A 79 0.436 11.172 -9.171 1.00 0.00 N ATOM 1217 CA CYS A 79 -0.250 10.877 -7.954 1.00 0.00 C ATOM 1218 C CYS A 79 -1.350 9.824 -7.983 1.00 0.00 C ATOM 1219 O CYS A 79 -2.474 10.131 -8.390 1.00 0.00 O ATOM 1220 CB CYS A 79 -0.767 12.179 -7.320 1.00 0.00 C ATOM 1221 SG CYS A 79 -1.763 13.226 -8.408 1.00 0.00 S ATOM 0 H CYS A 79 -0.052 11.801 -9.809 1.00 0.00 H new ATOM 0 HA CYS A 79 0.516 10.397 -7.345 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.362 11.925 -6.443 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.088 12.757 -6.969 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.641 12.495 -9.029 1.00 0.00 H new ATOM 1227 N PRO A 80 -1.088 8.518 -7.663 1.00 0.00 N ATOM 1228 CA PRO A 80 -2.155 7.734 -7.271 1.00 0.00 C ATOM 1229 C PRO A 80 -2.175 7.414 -5.773 1.00 0.00 C ATOM 1230 O PRO A 80 -3.246 7.356 -5.164 1.00 0.00 O ATOM 1231 CB PRO A 80 -2.016 6.523 -8.157 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.559 6.329 -8.384 1.00 0.00 C ATOM 1233 CD PRO A 80 0.093 7.621 -7.987 1.00 0.00 C ATOM 0 HA PRO A 80 -3.115 8.235 -7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.455 5.644 -7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.539 6.672 -9.102 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.178 5.500 -7.788 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.354 6.092 -9.428 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.750 7.493 -7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.701 8.030 -8.794 1.00 0.00 H new ATOM 1241 N VAL A 81 -1.020 7.319 -5.161 1.00 0.00 N ATOM 1242 CA VAL A 81 -0.956 6.734 -3.861 1.00 0.00 C ATOM 1243 C VAL A 81 -0.768 7.712 -2.705 1.00 0.00 C ATOM 1244 O VAL A 81 0.298 8.556 -2.671 1.00 0.00 O ATOM 1245 CB VAL A 81 0.092 5.594 -3.798 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.113 4.872 -2.434 1.00 0.00 C ATOM 1247 CG2 VAL A 81 -0.191 4.618 -4.886 1.00 0.00 C ATOM 0 H VAL A 81 -0.129 7.636 -5.542 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.952 6.318 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 81 1.077 6.042 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.866 4.084 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.353 5.587 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.866 4.434 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.541 3.811 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.192 4.206 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.130 5.121 -5.851 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.715 7.477 -1.638 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.767 8.143 -0.347 1.00 0.00 C ATOM 1259 C PRO A 82 -0.464 7.921 0.227 1.00 0.00 C ATOM 1260 O PRO A 82 0.204 7.039 -0.217 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.817 7.359 0.453 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.712 6.058 -0.169 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.678 6.402 -1.622 1.00 0.00 C ATOM 0 HA PRO A 82 -2.009 9.205 -0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.587 7.328 1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.815 7.785 0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.812 5.529 0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.560 5.419 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.362 5.559 -2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.653 6.719 -1.992 1.00 0.00 H new ATOM 1271 N PHE A 83 -0.210 8.503 1.300 1.00 0.00 N ATOM 1272 CA PHE A 83 1.100 8.953 1.605 1.00 0.00 C ATOM 1273 C PHE A 83 2.245 8.016 1.249 1.00 0.00 C ATOM 1274 O PHE A 83 2.785 7.260 1.993 1.00 0.00 O ATOM 1275 CB PHE A 83 1.166 9.407 3.005 1.00 0.00 C ATOM 1276 CG PHE A 83 -0.122 10.060 3.483 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -1.198 9.254 3.837 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.289 11.430 3.540 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -2.367 9.756 4.227 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.511 11.953 3.942 1.00 0.00 C ATOM 1281 CZ PHE A 83 -2.546 11.086 4.283 1.00 0.00 C ATOM 0 H PHE A 83 -0.903 8.696 2.023 1.00 0.00 H new ATOM 0 HA PHE A 83 1.270 9.793 0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.394 8.556 3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.987 10.116 3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.081 8.181 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.524 12.089 3.274 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.174 9.092 4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.657 13.022 3.990 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.500 11.486 4.595 1.00 0.00 H new ATOM 1291 N CYS A 84 2.462 8.254 0.040 1.00 0.00 N ATOM 1292 CA CYS A 84 3.305 7.965 -0.999 1.00 0.00 C ATOM 1293 C CYS A 84 3.355 9.357 -1.497 1.00 0.00 C ATOM 1294 O CYS A 84 3.298 10.228 -0.667 1.00 0.00 O ATOM 1295 CB CYS A 84 2.798 6.923 -2.040 1.00 0.00 C ATOM 1296 SG CYS A 84 3.843 6.682 -3.514 1.00 0.00 S ATOM 0 H CYS A 84 1.782 8.899 -0.364 1.00 0.00 H new ATOM 0 HA CYS A 84 4.241 7.467 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.688 5.962 -1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.804 7.225 -2.371 1.00 0.00 H new ATOM 0 HG CYS A 84 3.356 7.364 -4.507 1.00 0.00 H new ATOM 1302 N LEU A 85 3.439 9.562 -2.762 1.00 0.00 N ATOM 1303 CA LEU A 85 4.027 10.763 -3.482 1.00 0.00 C ATOM 1304 C LEU A 85 3.837 12.230 -2.880 1.00 0.00 C ATOM 1305 O LEU A 85 4.444 13.174 -3.354 1.00 0.00 O ATOM 1306 CB LEU A 85 3.745 10.775 -5.033 1.00 0.00 C ATOM 1307 CG LEU A 85 2.298 10.665 -5.576 1.00 0.00 C ATOM 1308 CD1 LEU A 85 1.784 9.248 -5.561 1.00 0.00 C ATOM 1309 CD2 LEU A 85 1.379 11.547 -4.796 1.00 0.00 C ATOM 0 H LEU A 85 3.085 8.871 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 85 5.077 10.555 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.166 11.699 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.314 9.954 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 85 2.324 10.993 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.766 9.226 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.425 8.622 -6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.789 8.870 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.367 11.458 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.388 11.246 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.711 12.582 -4.879 1.00 0.00 H new ATOM 1321 N ASN A 86 3.056 12.372 -1.844 1.00 0.00 N ATOM 1322 CA ASN A 86 2.984 13.580 -1.027 1.00 0.00 C ATOM 1323 C ASN A 86 4.174 13.526 -0.015 1.00 0.00 C ATOM 1324 O ASN A 86 4.559 14.522 0.574 1.00 0.00 O ATOM 1325 CB ASN A 86 1.615 13.657 -0.289 1.00 0.00 C ATOM 1326 CG ASN A 86 1.465 14.874 0.633 1.00 0.00 C ATOM 1327 OD1 ASN A 86 1.063 15.961 0.203 1.00 0.00 O ATOM 1328 ND2 ASN A 86 1.720 14.694 1.905 1.00 0.00 N ATOM 0 H ASN A 86 2.428 11.634 -1.525 1.00 0.00 H new ATOM 0 HA ASN A 86 3.059 14.474 -1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.816 13.676 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.481 12.750 0.301 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.588 15.460 2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.051 13.788 2.236 1.00 0.00 H new ATOM 1335 N ILE A 87 4.728 12.305 0.184 1.00 0.00 N ATOM 1336 CA ILE A 87 5.980 12.102 0.948 1.00 0.00 C ATOM 1337 C ILE A 87 7.130 12.593 0.105 1.00 0.00 C ATOM 1338 O ILE A 87 8.134 13.105 0.606 1.00 0.00 O ATOM 1339 CB ILE A 87 6.219 10.567 1.397 1.00 0.00 C ATOM 1340 CG1 ILE A 87 5.994 10.428 2.910 1.00 0.00 C ATOM 1341 CG2 ILE A 87 7.626 9.989 1.001 1.00 0.00 C ATOM 1342 CD1 ILE A 87 4.598 10.775 3.367 1.00 0.00 C ATOM 0 H ILE A 87 4.323 11.442 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 87 5.905 12.668 1.876 1.00 0.00 H new ATOM 0 HB ILE A 87 5.491 9.972 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.215 9.402 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.704 11.070 3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.703 8.956 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.743 10.026 -0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.409 10.584 1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.527 10.649 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.377 11.810 3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.881 10.116 2.877 1.00 0.00 H new ATOM 1354 N LYS A 88 6.947 12.489 -1.190 1.00 0.00 N ATOM 1355 CA LYS A 88 7.957 12.876 -2.108 1.00 0.00 C ATOM 1356 C LYS A 88 7.710 14.289 -2.528 1.00 0.00 C ATOM 1357 O LYS A 88 7.285 14.561 -3.648 1.00 0.00 O ATOM 1358 CB LYS A 88 7.928 11.984 -3.327 1.00 0.00 C ATOM 1359 CG LYS A 88 7.833 10.507 -3.012 1.00 0.00 C ATOM 1360 CD LYS A 88 8.187 9.672 -4.212 1.00 0.00 C ATOM 1361 CE LYS A 88 9.697 9.445 -4.305 1.00 0.00 C ATOM 1362 NZ LYS A 88 10.504 10.692 -4.378 1.00 0.00 N ATOM 0 H LYS A 88 6.094 12.134 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 88 8.932 12.787 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.080 12.267 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.828 12.162 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.502 10.265 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.822 10.267 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.676 8.711 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.835 10.165 -5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.019 8.869 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.907 8.839 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.502 10.450 -4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.159 11.284 -5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.416 11.215 -3.484 1.00 0.00 H new ATOM 1586 N SER B 12 5.350 -2.702 9.960 1.00 0.00 N ATOM 1587 CA SER B 12 5.015 -4.041 9.557 1.00 0.00 C ATOM 1588 C SER B 12 4.057 -4.049 8.327 1.00 0.00 C ATOM 1589 O SER B 12 2.885 -3.660 8.423 1.00 0.00 O ATOM 1590 CB SER B 12 4.451 -4.793 10.756 1.00 0.00 C ATOM 1591 OG SER B 12 3.637 -3.930 11.536 1.00 0.00 O ATOM 0 HA SER B 12 5.915 -4.559 9.224 1.00 0.00 H new ATOM 0 HB2 SER B 12 3.866 -5.648 10.416 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.266 -5.185 11.365 1.00 0.00 H new ATOM 0 HG SER B 12 3.879 -2.998 11.353 1.00 0.00 H new ATOM 1597 N PRO B 13 4.565 -4.488 7.139 1.00 0.00 N ATOM 1598 CA PRO B 13 3.794 -4.514 5.861 1.00 0.00 C ATOM 1599 C PRO B 13 2.692 -5.539 5.878 1.00 0.00 C ATOM 1600 O PRO B 13 1.794 -5.550 5.028 1.00 0.00 O ATOM 1601 CB PRO B 13 4.822 -4.949 4.841 1.00 0.00 C ATOM 1602 CG PRO B 13 6.151 -4.759 5.485 1.00 0.00 C ATOM 1603 CD PRO B 13 5.939 -4.994 6.935 1.00 0.00 C ATOM 0 HA PRO B 13 3.324 -3.550 5.666 1.00 0.00 H new ATOM 0 HB2 PRO B 13 4.672 -5.991 4.557 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.742 -4.356 3.930 1.00 0.00 H new ATOM 0 HG2 PRO B 13 6.884 -5.456 5.080 1.00 0.00 H new ATOM 0 HG3 PRO B 13 6.532 -3.754 5.304 1.00 0.00 H new ATOM 0 HD2 PRO B 13 6.026 -6.049 7.193 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.665 -4.456 7.545 1.00 0.00 H new ATOM 1611 N ASP B 14 2.812 -6.389 6.848 1.00 0.00 N ATOM 1612 CA ASP B 14 1.964 -7.545 7.114 1.00 0.00 C ATOM 1613 C ASP B 14 0.469 -7.213 7.033 1.00 0.00 C ATOM 1614 O ASP B 14 -0.343 -8.033 6.613 1.00 0.00 O ATOM 1615 CB ASP B 14 2.311 -8.049 8.515 1.00 0.00 C ATOM 1616 CG ASP B 14 1.694 -9.370 8.855 1.00 0.00 C ATOM 1617 OD1 ASP B 14 2.188 -10.393 8.348 1.00 0.00 O ATOM 1618 OD2 ASP B 14 0.763 -9.413 9.670 1.00 0.00 O ATOM 0 H ASP B 14 3.559 -6.300 7.537 1.00 0.00 H new ATOM 0 HA ASP B 14 2.150 -8.304 6.354 1.00 0.00 H new ATOM 0 HB2 ASP B 14 3.394 -8.132 8.603 1.00 0.00 H new ATOM 0 HB3 ASP B 14 1.988 -7.309 9.247 1.00 0.00 H new ATOM 1623 N ASP B 15 0.127 -6.019 7.430 1.00 0.00 N ATOM 1624 CA ASP B 15 -1.254 -5.572 7.442 1.00 0.00 C ATOM 1625 C ASP B 15 -1.867 -5.233 6.095 1.00 0.00 C ATOM 1626 O ASP B 15 -3.013 -5.572 5.861 1.00 0.00 O ATOM 1627 CB ASP B 15 -1.525 -4.487 8.483 1.00 0.00 C ATOM 1628 CG ASP B 15 -1.576 -5.006 9.904 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -0.520 -5.418 10.450 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -2.663 -5.032 10.495 1.00 0.00 O ATOM 0 H ASP B 15 0.794 -5.320 7.757 1.00 0.00 H new ATOM 0 HA ASP B 15 -1.787 -6.472 7.750 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -0.749 -3.725 8.411 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -2.472 -4.000 8.249 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.138 -4.606 5.184 1.00 0.00 N ATOM 1636 CA ILE B 16 -1.733 -4.134 3.970 1.00 0.00 C ATOM 1637 C ILE B 16 -1.960 -5.249 3.035 1.00 0.00 C ATOM 1638 O ILE B 16 -2.798 -5.223 2.222 1.00 0.00 O ATOM 1639 CB ILE B 16 -0.981 -2.956 3.383 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.469 -2.881 3.882 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -1.715 -1.711 3.752 1.00 0.00 C ATOM 1642 CD1 ILE B 16 0.568 -2.305 5.249 1.00 0.00 C ATOM 0 H ILE B 16 -0.139 -4.419 5.273 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.720 -3.731 4.197 1.00 0.00 H new ATOM 0 HB ILE B 16 -0.932 -3.076 2.301 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.904 -3.881 3.879 1.00 0.00 H new ATOM 0 HG13 ILE B 16 1.057 -2.276 3.192 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.194 -0.846 3.341 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -2.726 -1.751 3.347 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -1.762 -1.624 4.838 1.00 0.00 H new ATOM 0 HD11 ILE B 16 1.613 -2.274 5.556 1.00 0.00 H new ATOM 0 HD12 ILE B 16 0.160 -1.294 5.248 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.004 -2.924 5.946 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.185 -6.193 3.248 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.307 -7.592 2.758 1.00 0.00 C ATOM 1656 C GLU B 17 -2.703 -8.183 3.066 1.00 0.00 C ATOM 1657 O GLU B 17 -3.178 -9.068 2.360 1.00 0.00 O ATOM 1658 CB GLU B 17 -0.263 -8.476 3.458 1.00 0.00 C ATOM 1659 CG GLU B 17 1.053 -8.698 2.729 1.00 0.00 C ATOM 1660 CD GLU B 17 0.982 -9.810 1.680 1.00 0.00 C ATOM 1661 OE1 GLU B 17 0.783 -11.005 2.058 1.00 0.00 O ATOM 1662 OE2 GLU B 17 1.150 -9.546 0.488 1.00 0.00 O ATOM 0 H GLU B 17 -0.348 -6.066 3.816 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.152 -7.574 1.679 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.042 -8.034 4.430 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -0.715 -9.450 3.646 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.353 -7.769 2.244 1.00 0.00 H new ATOM 0 HG3 GLU B 17 1.827 -8.943 3.456 1.00 0.00 H new ATOM 1669 N GLN B 18 -3.362 -7.713 4.101 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.695 -8.208 4.375 1.00 0.00 C ATOM 1671 C GLN B 18 -5.660 -7.469 3.473 1.00 0.00 C ATOM 1672 O GLN B 18 -6.684 -7.996 3.008 1.00 0.00 O ATOM 1673 CB GLN B 18 -5.129 -7.980 5.831 1.00 0.00 C ATOM 1674 CG GLN B 18 -4.144 -8.416 6.883 1.00 0.00 C ATOM 1675 CD GLN B 18 -4.718 -8.332 8.280 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -5.589 -7.508 8.562 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -4.251 -9.166 9.164 1.00 0.00 N ATOM 0 H GLN B 18 -3.012 -7.009 4.751 1.00 0.00 H new ATOM 0 HA GLN B 18 -4.696 -9.283 4.196 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -5.332 -6.918 5.968 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -6.068 -8.508 5.998 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -3.832 -9.441 6.682 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -3.252 -7.793 6.822 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -3.530 -9.837 8.901 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -4.607 -9.148 10.120 1.00 0.00 H new ATOM 1686 N TRP B 19 -5.294 -6.273 3.152 1.00 0.00 N ATOM 1687 CA TRP B 19 -6.166 -5.439 2.425 1.00 0.00 C ATOM 1688 C TRP B 19 -5.877 -5.652 0.955 1.00 0.00 C ATOM 1689 O TRP B 19 -6.708 -5.490 0.096 1.00 0.00 O ATOM 1690 CB TRP B 19 -6.073 -3.982 2.945 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.312 -3.970 4.442 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -7.360 -4.526 5.089 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -5.500 -3.393 5.466 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -7.195 -4.444 6.420 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -6.085 -3.730 6.690 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -4.342 -2.663 5.475 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -5.542 -3.363 7.903 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -3.796 -2.286 6.683 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -4.400 -2.643 7.885 1.00 0.00 C ATOM 0 H TRP B 19 -4.392 -5.858 3.387 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.217 -5.689 2.570 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.092 -3.564 2.718 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.810 -3.356 2.442 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -8.214 -4.975 4.603 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -7.814 -4.858 7.117 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -3.863 -2.386 4.548 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -6.013 -3.641 8.834 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -2.886 -1.705 6.697 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -3.948 -2.339 8.818 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.681 -6.073 0.706 1.00 0.00 N ATOM 1711 CA PHE B 20 -4.281 -6.562 -0.551 1.00 0.00 C ATOM 1712 C PHE B 20 -5.066 -7.814 -0.852 1.00 0.00 C ATOM 1713 O PHE B 20 -5.691 -7.896 -1.894 1.00 0.00 O ATOM 1714 CB PHE B 20 -2.728 -6.762 -0.619 1.00 0.00 C ATOM 1715 CG PHE B 20 -2.261 -8.081 -1.153 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -2.062 -8.306 -2.497 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -2.030 -9.088 -0.275 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -1.633 -9.539 -2.949 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -1.603 -10.329 -0.705 1.00 0.00 C ATOM 1720 CZ PHE B 20 -1.400 -10.553 -2.048 1.00 0.00 C ATOM 0 H PHE B 20 -3.937 -6.082 1.404 1.00 0.00 H new ATOM 0 HA PHE B 20 -4.504 -5.832 -1.329 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.306 -5.971 -1.239 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -2.320 -6.633 0.384 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.243 -7.511 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -2.183 -8.916 0.780 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -1.481 -9.707 -4.005 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -1.429 -11.120 0.009 1.00 0.00 H new ATOM 0 HZ PHE B 20 -1.060 -11.518 -2.393 1.00 0.00 H new ATOM 1730 N THR B 21 -5.026 -8.806 0.035 1.00 0.00 N ATOM 1731 CA THR B 21 -5.727 -9.935 -0.151 1.00 0.00 C ATOM 1732 C THR B 21 -6.156 -10.617 1.182 1.00 0.00 C ATOM 1733 O THR B 21 -5.364 -11.215 1.905 1.00 0.00 O ATOM 1734 CB THR B 21 -4.941 -10.860 -1.094 1.00 0.00 C ATOM 1735 OG1 THR B 21 -5.202 -10.549 -2.474 1.00 0.00 O ATOM 1736 CG2 THR B 21 -5.149 -12.278 -0.786 1.00 0.00 C ATOM 0 H THR B 21 -4.478 -8.784 0.895 1.00 0.00 H new ATOM 0 HA THR B 21 -6.675 -9.687 -0.627 1.00 0.00 H new ATOM 0 HB THR B 21 -3.882 -10.670 -0.922 1.00 0.00 H new ATOM 0 HG1 THR B 21 -5.467 -9.609 -2.553 1.00 0.00 H new ATOM 0 HG21 THR B 21 -4.572 -12.889 -1.480 1.00 0.00 H new ATOM 0 HG22 THR B 21 -4.822 -12.481 0.234 1.00 0.00 H new ATOM 0 HG23 THR B 21 -6.207 -12.520 -0.882 1.00 0.00 H new ATOM 1744 N GLU B 22 -7.335 -10.328 1.567 1.00 0.00 N ATOM 1745 CA GLU B 22 -8.086 -11.236 2.363 1.00 0.00 C ATOM 1746 C GLU B 22 -9.153 -11.651 1.416 1.00 0.00 C ATOM 1747 O GLU B 22 -9.925 -10.791 0.966 1.00 0.00 O ATOM 1748 CB GLU B 22 -8.667 -10.661 3.651 1.00 0.00 C ATOM 1749 CG GLU B 22 -7.626 -10.305 4.698 1.00 0.00 C ATOM 1750 CD GLU B 22 -8.217 -9.841 6.003 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -8.667 -8.692 6.101 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -8.243 -10.623 6.965 1.00 0.00 O ATOM 0 H GLU B 22 -7.816 -9.457 1.344 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.461 -12.042 2.749 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -9.244 -9.768 3.410 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -9.363 -11.384 4.077 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.997 -11.175 4.883 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -6.979 -9.522 4.303 1.00 0.00 H new