USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 904 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 31 ASN : amide:sc= -0.864 K(o=-0.63,f=-1.4) USER MOD Set 1.2: A 91 GLN : amide:sc= 0.233 K(o=-0.63,f=-2.4) USER MOD Set 2.1: A 71 THR OG1 : rot 54:sc= 0.247 USER MOD Set 2.2: A 105 GLN : amide:sc= -1.63! C(o=-1.4!,f=-5.1!) USER MOD Set 3.1: A 24 THR OG1 : rot 34:sc= 0.35 USER MOD Set 3.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.0378 (180deg=-0.323) USER MOD Single : A 26 GLN : amide:sc= 0.0545 X(o=0.055,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= -1.13 (180deg=-1.96!) USER MOD Single : A 30 GLN :FLIP amide:sc= -1.39 F(o=-4.5!,f=-1.4) USER MOD Single : A 36 SER OG : rot -75:sc= 0.315 USER MOD Single : A 42 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.13) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -108:sc= 0.18 USER MOD Single : A 46 CYS SG : rot 110:sc= -4.3! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -150:sc= 0.0483 USER MOD Single : A 63 THR OG1 : rot -17:sc= 1.01 USER MOD Single : A 74 ASN : amide:sc= -2.01! X(o=-2!,f=-2.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.15) USER MOD Single : A 81 LYS NZ :NH3+ -120:sc= 1.23 (180deg=0.222) USER MOD Single : A 82 THR OG1 : rot -67:sc= -0.314 USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= 0.457 (180deg=-0.921!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 179:sc= 0 (180deg=-0.000834) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS :FLIP no HD1:sc= -0.362 F(o=-0.94,f=-0.36) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -5.94! C(o=-5.9!,f=-7.1!) USER MOD Single : A 103 LYS NZ :NH3+ -175:sc= 1.13 (180deg=1.12) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.917 X(o=-0.92,f=-1.1) USER MOD Single : A 116 GLN :FLIP amide:sc= -0.115 F(o=-1.1,f=-0.12) USER MOD Single : A 119 GLN : amide:sc= 1 K(o=1,f=-0.072) USER MOD Single : A 121 THR OG1 : rot 44:sc= 0.0792 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 127 LYS NZ :NH3+ -146:sc= -0.564 (180deg=-1.87) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 3.867 2.222 17.038 1.00 0.00 N ATOM 2 CA GLY A 13 3.998 1.236 15.938 1.00 0.00 C ATOM 3 C GLY A 13 4.823 0.037 16.349 1.00 0.00 C ATOM 4 O GLY A 13 4.804 -0.364 17.513 1.00 0.00 O ATOM 0 HA2 GLY A 13 3.007 0.905 15.627 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.459 1.715 15.074 1.00 0.00 H new ATOM 10 N SER A 14 5.541 -0.537 15.395 1.00 0.00 N ATOM 11 CA SER A 14 6.418 -1.662 15.671 1.00 0.00 C ATOM 12 C SER A 14 7.685 -1.175 16.373 1.00 0.00 C ATOM 13 O SER A 14 8.437 -0.366 15.824 1.00 0.00 O ATOM 14 CB SER A 14 6.772 -2.385 14.366 1.00 0.00 C ATOM 15 OG SER A 14 7.556 -3.542 14.609 1.00 0.00 O ATOM 0 H SER A 14 5.532 -0.240 14.419 1.00 0.00 H new ATOM 0 HA SER A 14 5.903 -2.363 16.327 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.857 -2.667 13.845 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.316 -1.707 13.709 1.00 0.00 H new ATOM 0 HG SER A 14 7.764 -3.981 13.758 1.00 0.00 H new ATOM 21 N PRO A 15 7.925 -1.644 17.607 1.00 0.00 N ATOM 22 CA PRO A 15 9.101 -1.250 18.382 1.00 0.00 C ATOM 23 C PRO A 15 10.387 -1.804 17.780 1.00 0.00 C ATOM 24 O PRO A 15 10.733 -2.971 17.981 1.00 0.00 O ATOM 25 CB PRO A 15 8.841 -1.853 19.767 1.00 0.00 C ATOM 26 CG PRO A 15 7.905 -2.986 19.526 1.00 0.00 C ATOM 27 CD PRO A 15 7.070 -2.598 18.338 1.00 0.00 C ATOM 0 HA PRO A 15 9.238 -0.169 18.404 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.767 -2.197 20.227 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.404 -1.117 20.442 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.453 -3.908 19.332 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.278 -3.165 20.400 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.820 -3.463 17.724 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.129 -2.140 18.642 1.00 0.00 H new ATOM 35 N GLY A 16 11.089 -0.968 17.031 1.00 0.00 N ATOM 36 CA GLY A 16 12.308 -1.406 16.390 1.00 0.00 C ATOM 37 C GLY A 16 12.593 -0.658 15.110 1.00 0.00 C ATOM 38 O GLY A 16 13.735 -0.593 14.658 1.00 0.00 O ATOM 0 H GLY A 16 10.836 0.005 16.856 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.143 -1.273 17.078 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.238 -2.472 16.175 1.00 0.00 H new ATOM 42 N ILE A 17 11.555 -0.108 14.511 1.00 0.00 N ATOM 43 CA ILE A 17 11.706 0.637 13.274 1.00 0.00 C ATOM 44 C ILE A 17 11.962 2.113 13.576 1.00 0.00 C ATOM 45 O ILE A 17 11.522 2.618 14.608 1.00 0.00 O ATOM 46 CB ILE A 17 10.469 0.472 12.368 1.00 0.00 C ATOM 47 CG1 ILE A 17 9.242 1.104 13.031 1.00 0.00 C ATOM 48 CG2 ILE A 17 10.240 -1.002 12.067 1.00 0.00 C ATOM 49 CD1 ILE A 17 7.915 0.670 12.447 1.00 0.00 C ATOM 0 H ILE A 17 10.598 -0.162 14.860 1.00 0.00 H new ATOM 0 HA ILE A 17 12.565 0.235 12.737 1.00 0.00 H new ATOM 0 HB ILE A 17 10.641 0.988 11.423 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.253 0.860 14.093 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.321 2.188 12.952 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.365 -1.111 11.427 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.114 -1.410 11.559 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.077 -1.543 12.999 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.104 1.168 12.978 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.877 0.939 11.391 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.808 -0.410 12.550 1.00 0.00 H new ATOM 61 N PRO A 18 12.672 2.824 12.693 1.00 0.00 N ATOM 62 CA PRO A 18 13.113 4.186 12.974 1.00 0.00 C ATOM 63 C PRO A 18 11.989 5.211 12.832 1.00 0.00 C ATOM 64 O PRO A 18 11.452 5.704 13.825 1.00 0.00 O ATOM 65 CB PRO A 18 14.214 4.420 11.938 1.00 0.00 C ATOM 66 CG PRO A 18 13.917 3.489 10.808 1.00 0.00 C ATOM 67 CD PRO A 18 13.089 2.363 11.361 1.00 0.00 C ATOM 0 HA PRO A 18 13.453 4.303 14.003 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.218 5.456 11.600 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.198 4.219 12.361 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.379 4.008 10.014 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.840 3.108 10.371 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.227 2.156 10.726 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.667 1.441 11.424 1.00 0.00 H new ATOM 75 N VAL A 19 11.639 5.514 11.593 1.00 0.00 N ATOM 76 CA VAL A 19 10.581 6.439 11.283 1.00 0.00 C ATOM 77 C VAL A 19 9.387 5.699 10.703 1.00 0.00 C ATOM 78 O VAL A 19 9.343 5.411 9.507 1.00 0.00 O ATOM 79 CB VAL A 19 11.045 7.503 10.280 1.00 0.00 C ATOM 80 CG1 VAL A 19 11.341 8.810 10.989 1.00 0.00 C ATOM 81 CG2 VAL A 19 12.270 7.025 9.523 1.00 0.00 C ATOM 0 H VAL A 19 12.092 5.116 10.770 1.00 0.00 H new ATOM 0 HA VAL A 19 10.296 6.933 12.212 1.00 0.00 H new ATOM 0 HB VAL A 19 10.240 7.671 9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.669 9.553 10.261 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.440 9.165 11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.128 8.653 11.727 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.584 7.793 8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.078 6.827 10.227 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.029 6.111 8.981 1.00 0.00 H new ATOM 91 N PRO A 20 8.434 5.336 11.554 1.00 0.00 N ATOM 92 CA PRO A 20 7.201 4.709 11.128 1.00 0.00 C ATOM 93 C PRO A 20 6.167 5.720 10.667 1.00 0.00 C ATOM 94 O PRO A 20 5.883 6.709 11.350 1.00 0.00 O ATOM 95 CB PRO A 20 6.711 3.992 12.375 1.00 0.00 C ATOM 96 CG PRO A 20 7.316 4.722 13.530 1.00 0.00 C ATOM 97 CD PRO A 20 8.499 5.496 13.009 1.00 0.00 C ATOM 0 HA PRO A 20 7.361 4.049 10.275 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.623 4.005 12.431 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.017 2.946 12.370 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.587 5.395 13.982 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.628 4.022 14.305 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.443 6.546 13.295 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.435 5.106 13.409 1.00 0.00 H new ATOM 105 N GLY A 21 5.610 5.460 9.508 1.00 0.00 N ATOM 106 CA GLY A 21 4.558 6.293 8.981 1.00 0.00 C ATOM 107 C GLY A 21 3.435 5.458 8.417 1.00 0.00 C ATOM 108 O GLY A 21 3.660 4.324 7.989 1.00 0.00 O ATOM 0 H GLY A 21 5.870 4.675 8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.173 6.941 9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.959 6.942 8.203 1.00 0.00 H new ATOM 112 N LYS A 22 2.228 5.994 8.426 1.00 0.00 N ATOM 113 CA LYS A 22 1.083 5.286 7.885 1.00 0.00 C ATOM 114 C LYS A 22 -0.034 6.269 7.571 1.00 0.00 C ATOM 115 O LYS A 22 -0.295 7.190 8.347 1.00 0.00 O ATOM 116 CB LYS A 22 0.587 4.196 8.856 1.00 0.00 C ATOM 117 CG LYS A 22 -0.246 4.692 10.034 1.00 0.00 C ATOM 118 CD LYS A 22 0.594 5.382 11.094 1.00 0.00 C ATOM 119 CE LYS A 22 -0.274 5.889 12.236 1.00 0.00 C ATOM 120 NZ LYS A 22 -1.057 4.795 12.871 1.00 0.00 N ATOM 0 H LYS A 22 2.016 6.918 8.802 1.00 0.00 H new ATOM 0 HA LYS A 22 1.392 4.792 6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.006 3.475 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.453 3.661 9.246 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.006 5.384 9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.771 3.849 10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.340 4.687 11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.136 6.216 10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.357 6.366 12.986 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.956 6.652 11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.445 5.126 13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.837 4.516 12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.437 3.977 13.038 1.00 0.00 H new ATOM 134 N VAL A 23 -0.677 6.097 6.428 1.00 0.00 N ATOM 135 CA VAL A 23 -1.787 6.957 6.066 1.00 0.00 C ATOM 136 C VAL A 23 -2.994 6.110 5.690 1.00 0.00 C ATOM 137 O VAL A 23 -2.845 4.958 5.271 1.00 0.00 O ATOM 138 CB VAL A 23 -1.425 7.931 4.916 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.251 8.809 5.308 1.00 0.00 C ATOM 140 CG2 VAL A 23 -1.108 7.185 3.634 1.00 0.00 C ATOM 0 H VAL A 23 -0.451 5.377 5.742 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.029 7.569 6.935 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.296 8.561 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.013 9.485 4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.511 9.390 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.615 8.183 5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.859 7.899 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.261 6.519 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.976 6.600 3.329 1.00 0.00 H new ATOM 150 N THR A 24 -4.182 6.656 5.869 1.00 0.00 N ATOM 151 CA THR A 24 -5.390 5.915 5.580 1.00 0.00 C ATOM 152 C THR A 24 -6.191 6.604 4.482 1.00 0.00 C ATOM 153 O THR A 24 -6.527 7.787 4.572 1.00 0.00 O ATOM 154 CB THR A 24 -6.256 5.708 6.847 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.421 4.931 6.532 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.674 7.036 7.469 1.00 0.00 C ATOM 0 H THR A 24 -4.334 7.605 6.211 1.00 0.00 H new ATOM 0 HA THR A 24 -5.093 4.928 5.227 1.00 0.00 H new ATOM 0 HB THR A 24 -5.647 5.172 7.575 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.202 4.283 5.831 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.280 6.848 8.355 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.786 7.602 7.750 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.256 7.609 6.747 1.00 0.00 H new ATOM 164 N LEU A 25 -6.447 5.858 3.423 1.00 0.00 N ATOM 165 CA LEU A 25 -7.236 6.331 2.300 1.00 0.00 C ATOM 166 C LEU A 25 -8.295 5.292 1.983 1.00 0.00 C ATOM 167 O LEU A 25 -8.555 4.400 2.790 1.00 0.00 O ATOM 168 CB LEU A 25 -6.358 6.569 1.057 1.00 0.00 C ATOM 169 CG LEU A 25 -5.416 7.780 1.100 1.00 0.00 C ATOM 170 CD1 LEU A 25 -6.138 9.009 1.629 1.00 0.00 C ATOM 171 CD2 LEU A 25 -4.174 7.480 1.922 1.00 0.00 C ATOM 0 H LEU A 25 -6.111 4.901 3.317 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.697 7.281 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.756 5.676 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.014 6.678 0.193 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.095 7.991 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.450 9.854 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.981 9.244 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.501 8.812 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.526 8.356 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.465 7.229 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.639 6.639 1.480 1.00 0.00 H new ATOM 183 N GLN A 26 -8.908 5.400 0.821 1.00 0.00 N ATOM 184 CA GLN A 26 -9.884 4.425 0.390 1.00 0.00 C ATOM 185 C GLN A 26 -9.623 4.011 -1.035 1.00 0.00 C ATOM 186 O GLN A 26 -9.207 4.814 -1.868 1.00 0.00 O ATOM 187 CB GLN A 26 -11.299 4.965 0.539 1.00 0.00 C ATOM 188 CG GLN A 26 -11.728 5.067 1.986 1.00 0.00 C ATOM 189 CD GLN A 26 -13.152 5.539 2.146 1.00 0.00 C ATOM 190 OE1 GLN A 26 -13.424 6.736 2.222 1.00 0.00 O ATOM 191 NE2 GLN A 26 -14.068 4.589 2.220 1.00 0.00 N ATOM 0 H GLN A 26 -8.745 6.157 0.157 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.789 3.547 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.360 5.949 0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.991 4.316 0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.618 4.092 2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.062 5.754 2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.793 3.609 2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.050 4.836 2.345 1.00 0.00 H new ATOM 200 N LYS A 27 -9.857 2.736 -1.262 1.00 0.00 N ATOM 201 CA LYS A 27 -9.649 2.077 -2.557 1.00 0.00 C ATOM 202 C LYS A 27 -10.149 2.914 -3.728 1.00 0.00 C ATOM 203 O LYS A 27 -11.152 3.623 -3.634 1.00 0.00 O ATOM 204 CB LYS A 27 -10.382 0.739 -2.584 1.00 0.00 C ATOM 205 CG LYS A 27 -10.078 -0.144 -1.396 1.00 0.00 C ATOM 206 CD LYS A 27 -8.799 -0.914 -1.608 1.00 0.00 C ATOM 207 CE LYS A 27 -9.066 -2.299 -2.155 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.909 -3.102 -1.236 1.00 0.00 N ATOM 0 H LYS A 27 -10.206 2.104 -0.541 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.573 1.940 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.456 0.924 -2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.116 0.208 -3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.994 0.466 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.902 -0.839 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.155 -0.368 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.260 -0.993 -0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.560 -2.218 -3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.119 -2.813 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.562 -3.692 -1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.302 -3.712 -0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.455 -2.466 -0.621 1.00 0.00 H new ATOM 222 N ASP A 28 -9.449 2.777 -4.834 1.00 0.00 N ATOM 223 CA ASP A 28 -9.759 3.487 -6.063 1.00 0.00 C ATOM 224 C ASP A 28 -10.818 2.718 -6.852 1.00 0.00 C ATOM 225 O ASP A 28 -11.231 1.639 -6.429 1.00 0.00 O ATOM 226 CB ASP A 28 -8.469 3.656 -6.883 1.00 0.00 C ATOM 227 CG ASP A 28 -8.688 4.286 -8.242 1.00 0.00 C ATOM 228 OD1 ASP A 28 -9.098 5.461 -8.298 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.484 3.591 -9.256 1.00 0.00 O ATOM 0 H ASP A 28 -8.638 2.163 -4.909 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.161 4.474 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.767 4.269 -6.317 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.003 2.679 -7.016 1.00 0.00 H new ATOM 234 N ALA A 29 -11.251 3.254 -7.987 1.00 0.00 N ATOM 235 CA ALA A 29 -12.223 2.579 -8.839 1.00 0.00 C ATOM 236 C ALA A 29 -11.719 1.203 -9.282 1.00 0.00 C ATOM 237 O ALA A 29 -12.507 0.324 -9.636 1.00 0.00 O ATOM 238 CB ALA A 29 -12.539 3.441 -10.051 1.00 0.00 C ATOM 0 H ALA A 29 -10.942 4.160 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.133 2.428 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.266 2.929 -10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.952 4.394 -9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.626 3.618 -10.620 1.00 0.00 H new ATOM 244 N GLN A 30 -10.402 1.014 -9.241 1.00 0.00 N ATOM 245 CA GLN A 30 -9.801 -0.252 -9.631 1.00 0.00 C ATOM 246 C GLN A 30 -9.627 -1.149 -8.414 1.00 0.00 C ATOM 247 O GLN A 30 -8.869 -2.117 -8.441 1.00 0.00 O ATOM 248 CB GLN A 30 -8.459 -0.016 -10.281 1.00 0.00 C ATOM 249 CG GLN A 30 -8.073 -1.104 -11.273 1.00 0.00 C ATOM 250 CD GLN A 30 -6.754 -0.846 -11.976 1.00 0.00 C ATOM 251 OE1 GLN A 30 -5.821 -0.206 -11.293 1.00 0.00 O flip ATOM 252 NE2 GLN A 30 -6.569 -1.238 -13.128 1.00 0.00 N flip ATOM 0 H GLN A 30 -9.734 1.724 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.463 -0.742 -10.345 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.475 0.945 -10.794 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.694 0.049 -9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.015 -2.058 -10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.861 -1.199 -12.020 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.312 -1.729 -13.625 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.673 -1.072 -13.585 1.00 0.00 H new ATOM 261 N ASN A 31 -10.312 -0.772 -7.342 1.00 0.00 N ATOM 262 CA ASN A 31 -10.345 -1.505 -6.083 1.00 0.00 C ATOM 263 C ASN A 31 -8.945 -1.756 -5.545 1.00 0.00 C ATOM 264 O ASN A 31 -8.656 -2.774 -4.926 1.00 0.00 O ATOM 265 CB ASN A 31 -11.181 -2.792 -6.201 1.00 0.00 C ATOM 266 CG ASN A 31 -10.470 -4.015 -6.771 1.00 0.00 C ATOM 267 OD1 ASN A 31 -10.426 -4.224 -7.983 1.00 0.00 O ATOM 268 ND2 ASN A 31 -9.967 -4.864 -5.896 1.00 0.00 N ATOM 0 H ASN A 31 -10.877 0.077 -7.324 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.848 -0.879 -5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.557 -3.047 -5.210 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.048 -2.579 -6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.524 -5.725 -6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.021 -4.660 -4.898 1.00 0.00 H new ATOM 275 N LEU A 32 -8.083 -0.789 -5.771 1.00 0.00 N ATOM 276 CA LEU A 32 -6.740 -0.829 -5.220 1.00 0.00 C ATOM 277 C LEU A 32 -6.292 0.546 -4.752 1.00 0.00 C ATOM 278 O LEU A 32 -7.092 1.481 -4.716 1.00 0.00 O ATOM 279 CB LEU A 32 -5.765 -1.406 -6.247 1.00 0.00 C ATOM 280 CG LEU A 32 -5.864 -0.878 -7.689 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.571 0.612 -7.782 1.00 0.00 C ATOM 282 CD2 LEU A 32 -4.915 -1.655 -8.586 1.00 0.00 C ATOM 0 H LEU A 32 -8.286 0.038 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.749 -1.481 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.752 -1.223 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.903 -2.487 -6.273 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.892 -1.024 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.654 0.935 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.287 1.162 -7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.561 0.808 -7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.988 -1.278 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.893 -1.533 -8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.182 -2.712 -8.570 1.00 0.00 H new ATOM 294 N ILE A 33 -5.021 0.674 -4.397 1.00 0.00 N ATOM 295 CA ILE A 33 -4.500 1.933 -3.923 1.00 0.00 C ATOM 296 C ILE A 33 -3.795 2.685 -5.037 1.00 0.00 C ATOM 297 O ILE A 33 -3.795 3.916 -5.062 1.00 0.00 O ATOM 298 CB ILE A 33 -3.527 1.751 -2.747 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.406 0.277 -2.348 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.996 2.589 -1.576 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.398 0.023 -1.247 1.00 0.00 C ATOM 0 H ILE A 33 -4.338 -0.083 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.357 2.510 -3.577 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.536 2.084 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.382 -0.083 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.126 -0.306 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.308 2.463 -0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.023 3.639 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.994 2.269 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.369 -1.043 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.411 0.351 -1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.687 0.577 -0.354 1.00 0.00 H new ATOM 313 N GLY A 34 -3.207 1.941 -5.964 1.00 0.00 N ATOM 314 CA GLY A 34 -2.496 2.558 -7.065 1.00 0.00 C ATOM 315 C GLY A 34 -0.995 2.519 -6.874 1.00 0.00 C ATOM 316 O GLY A 34 -0.294 3.474 -7.214 1.00 0.00 O ATOM 0 H GLY A 34 -3.210 0.921 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.755 2.048 -7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.820 3.594 -7.169 1.00 0.00 H new ATOM 320 N ILE A 35 -0.507 1.421 -6.320 1.00 0.00 N ATOM 321 CA ILE A 35 0.918 1.237 -6.090 1.00 0.00 C ATOM 322 C ILE A 35 1.395 -0.070 -6.695 1.00 0.00 C ATOM 323 O ILE A 35 0.601 -0.872 -7.182 1.00 0.00 O ATOM 324 CB ILE A 35 1.259 1.251 -4.582 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.367 0.278 -3.808 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.129 2.651 -4.019 1.00 0.00 C ATOM 327 CD1 ILE A 35 0.995 -1.072 -3.572 1.00 0.00 C ATOM 0 H ILE A 35 -1.083 0.635 -6.018 1.00 0.00 H new ATOM 0 HA ILE A 35 1.429 2.071 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 35 2.293 0.926 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.111 0.722 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.566 0.143 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.373 2.640 -2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.814 3.318 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.106 3.003 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.301 -1.704 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.225 -1.539 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.913 -0.951 -2.998 1.00 0.00 H new ATOM 339 N SER A 36 2.692 -0.279 -6.667 1.00 0.00 N ATOM 340 CA SER A 36 3.271 -1.500 -7.176 1.00 0.00 C ATOM 341 C SER A 36 4.309 -2.042 -6.218 1.00 0.00 C ATOM 342 O SER A 36 5.189 -1.314 -5.756 1.00 0.00 O ATOM 343 CB SER A 36 3.858 -1.254 -8.558 1.00 0.00 C ATOM 344 OG SER A 36 2.805 -1.084 -9.483 1.00 0.00 O ATOM 0 H SER A 36 3.369 0.386 -6.294 1.00 0.00 H new ATOM 0 HA SER A 36 2.490 -2.255 -7.266 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.493 -0.368 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.487 -2.093 -8.854 1.00 0.00 H new ATOM 0 HG SER A 36 2.400 -1.954 -9.681 1.00 0.00 H new ATOM 350 N ILE A 37 4.189 -3.322 -5.913 1.00 0.00 N ATOM 351 CA ILE A 37 5.037 -3.937 -4.899 1.00 0.00 C ATOM 352 C ILE A 37 5.972 -4.982 -5.499 1.00 0.00 C ATOM 353 O ILE A 37 5.550 -5.898 -6.214 1.00 0.00 O ATOM 354 CB ILE A 37 4.200 -4.576 -3.767 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.414 -3.506 -3.004 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.081 -5.369 -2.809 1.00 0.00 C ATOM 357 CD1 ILE A 37 4.282 -2.464 -2.332 1.00 0.00 C ATOM 0 H ILE A 37 3.518 -3.955 -6.348 1.00 0.00 H new ATOM 0 HA ILE A 37 5.642 -3.135 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 37 3.493 -5.266 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.735 -3.007 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.798 -3.993 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.464 -5.806 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.590 -6.163 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.821 -4.705 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.650 -1.743 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.943 -2.949 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.879 -1.948 -3.084 1.00 0.00 H new ATOM 369 N GLY A 38 7.239 -4.838 -5.175 1.00 0.00 N ATOM 370 CA GLY A 38 8.259 -5.741 -5.645 1.00 0.00 C ATOM 371 C GLY A 38 9.235 -6.061 -4.539 1.00 0.00 C ATOM 372 O GLY A 38 9.218 -5.404 -3.500 1.00 0.00 O ATOM 0 H GLY A 38 7.588 -4.089 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.799 -6.660 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.788 -5.294 -6.487 1.00 0.00 H new ATOM 376 N GLY A 39 10.081 -7.055 -4.751 1.00 0.00 N ATOM 377 CA GLY A 39 10.993 -7.479 -3.709 1.00 0.00 C ATOM 378 C GLY A 39 12.121 -6.493 -3.493 1.00 0.00 C ATOM 379 O GLY A 39 12.596 -5.875 -4.449 1.00 0.00 O ATOM 0 H GLY A 39 10.154 -7.576 -5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.442 -7.606 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.410 -8.452 -3.968 1.00 0.00 H new ATOM 383 N GLY A 40 12.539 -6.330 -2.237 1.00 0.00 N ATOM 384 CA GLY A 40 13.687 -5.497 -1.942 1.00 0.00 C ATOM 385 C GLY A 40 14.904 -6.049 -2.628 1.00 0.00 C ATOM 386 O GLY A 40 15.600 -5.347 -3.363 1.00 0.00 O ATOM 0 H GLY A 40 12.101 -6.761 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.502 -4.476 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.852 -5.457 -0.865 1.00 0.00 H new ATOM 390 N ALA A 41 15.144 -7.326 -2.400 1.00 0.00 N ATOM 391 CA ALA A 41 16.099 -8.065 -3.203 1.00 0.00 C ATOM 392 C ALA A 41 15.405 -9.277 -3.802 1.00 0.00 C ATOM 393 O ALA A 41 14.176 -9.336 -3.818 1.00 0.00 O ATOM 394 CB ALA A 41 17.318 -8.472 -2.396 1.00 0.00 C ATOM 0 H ALA A 41 14.692 -7.872 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 41 16.461 -7.420 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 41 18.009 -9.023 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 41 17.813 -7.581 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 41 17.009 -9.105 -1.564 1.00 0.00 H new ATOM 400 N GLN A 42 16.168 -10.240 -4.278 1.00 0.00 N ATOM 401 CA GLN A 42 15.577 -11.397 -4.926 1.00 0.00 C ATOM 402 C GLN A 42 15.083 -12.416 -3.902 1.00 0.00 C ATOM 403 O GLN A 42 13.964 -12.909 -4.012 1.00 0.00 O ATOM 404 CB GLN A 42 16.573 -12.039 -5.893 1.00 0.00 C ATOM 405 CG GLN A 42 16.988 -11.120 -7.033 1.00 0.00 C ATOM 406 CD GLN A 42 15.816 -10.692 -7.899 1.00 0.00 C ATOM 407 OE1 GLN A 42 15.465 -11.367 -8.865 1.00 0.00 O ATOM 408 NE2 GLN A 42 15.209 -9.562 -7.568 1.00 0.00 N ATOM 0 H GLN A 42 17.187 -10.247 -4.230 1.00 0.00 H new ATOM 0 HA GLN A 42 14.713 -11.056 -5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.461 -12.342 -5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.132 -12.945 -6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.473 -10.235 -6.622 1.00 0.00 H new ATOM 0 HG3 GLN A 42 17.726 -11.628 -7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 42 15.529 -9.029 -6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.422 -9.225 -8.122 1.00 0.00 H new ATOM 417 N TYR A 43 15.903 -12.717 -2.895 1.00 0.00 N ATOM 418 CA TYR A 43 15.543 -13.745 -1.918 1.00 0.00 C ATOM 419 C TYR A 43 16.243 -13.533 -0.568 1.00 0.00 C ATOM 420 O TYR A 43 16.766 -14.476 0.024 1.00 0.00 O ATOM 421 CB TYR A 43 15.875 -15.140 -2.477 1.00 0.00 C ATOM 422 CG TYR A 43 17.330 -15.335 -2.863 1.00 0.00 C ATOM 423 CD1 TYR A 43 17.814 -14.883 -4.084 1.00 0.00 C ATOM 424 CD2 TYR A 43 18.218 -15.966 -2.001 1.00 0.00 C ATOM 425 CE1 TYR A 43 19.139 -15.055 -4.434 1.00 0.00 C ATOM 426 CE2 TYR A 43 19.543 -16.140 -2.343 1.00 0.00 C ATOM 427 CZ TYR A 43 19.998 -15.684 -3.560 1.00 0.00 C ATOM 428 OH TYR A 43 21.321 -15.851 -3.902 1.00 0.00 O ATOM 0 H TYR A 43 16.807 -12.272 -2.735 1.00 0.00 H new ATOM 0 HA TYR A 43 14.470 -13.668 -1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 43 15.607 -15.889 -1.732 1.00 0.00 H new ATOM 0 HB3 TYR A 43 15.252 -15.324 -3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 43 17.143 -14.389 -4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 43 17.865 -16.327 -1.046 1.00 0.00 H new ATOM 0 HE1 TYR A 43 19.500 -14.698 -5.388 1.00 0.00 H new ATOM 0 HE2 TYR A 43 20.220 -16.631 -1.660 1.00 0.00 H new ATOM 0 HH TYR A 43 21.791 -16.312 -3.176 1.00 0.00 H new ATOM 438 N CYS A 44 16.242 -12.309 -0.059 1.00 0.00 N ATOM 439 CA CYS A 44 16.922 -12.045 1.201 1.00 0.00 C ATOM 440 C CYS A 44 16.136 -11.118 2.144 1.00 0.00 C ATOM 441 O CYS A 44 15.564 -11.597 3.121 1.00 0.00 O ATOM 442 CB CYS A 44 18.345 -11.529 0.947 1.00 0.00 C ATOM 443 SG CYS A 44 19.579 -12.837 0.771 1.00 0.00 S ATOM 0 H CYS A 44 15.790 -11.501 -0.486 1.00 0.00 H new ATOM 0 HA CYS A 44 16.986 -12.998 1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 44 18.344 -10.920 0.043 1.00 0.00 H new ATOM 0 HB3 CYS A 44 18.636 -10.877 1.770 1.00 0.00 H new ATOM 0 HG CYS A 44 20.335 -12.865 1.828 1.00 0.00 H new ATOM 449 N PRO A 45 16.058 -9.795 1.882 1.00 0.00 N ATOM 450 CA PRO A 45 15.535 -8.846 2.845 1.00 0.00 C ATOM 451 C PRO A 45 14.059 -8.531 2.641 1.00 0.00 C ATOM 452 O PRO A 45 13.347 -9.237 1.923 1.00 0.00 O ATOM 453 CB PRO A 45 16.379 -7.600 2.565 1.00 0.00 C ATOM 454 CG PRO A 45 16.846 -7.733 1.144 1.00 0.00 C ATOM 455 CD PRO A 45 16.425 -9.099 0.654 1.00 0.00 C ATOM 0 HA PRO A 45 15.594 -9.227 3.865 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.792 -6.692 2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.224 -7.538 3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 45 16.410 -6.951 0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 45 17.929 -7.621 1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.587 -9.037 -0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.235 -9.606 0.130 1.00 0.00 H new ATOM 463 N CYS A 46 13.613 -7.459 3.277 1.00 0.00 N ATOM 464 CA CYS A 46 12.257 -6.975 3.114 1.00 0.00 C ATOM 465 C CYS A 46 12.119 -6.251 1.775 1.00 0.00 C ATOM 466 O CYS A 46 13.053 -6.235 0.969 1.00 0.00 O ATOM 467 CB CYS A 46 11.902 -6.045 4.273 1.00 0.00 C ATOM 468 SG CYS A 46 12.094 -6.808 5.902 1.00 0.00 S ATOM 0 H CYS A 46 14.181 -6.904 3.918 1.00 0.00 H new ATOM 0 HA CYS A 46 11.566 -7.818 3.120 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.532 -5.157 4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.871 -5.711 4.157 1.00 0.00 H new ATOM 0 HG CYS A 46 13.107 -6.272 6.515 1.00 0.00 H new ATOM 474 N LEU A 47 10.957 -5.669 1.527 1.00 0.00 N ATOM 475 CA LEU A 47 10.685 -5.051 0.245 1.00 0.00 C ATOM 476 C LEU A 47 10.041 -3.685 0.395 1.00 0.00 C ATOM 477 O LEU A 47 9.748 -3.228 1.501 1.00 0.00 O ATOM 478 CB LEU A 47 9.807 -5.958 -0.617 1.00 0.00 C ATOM 479 CG LEU A 47 8.753 -6.766 0.129 1.00 0.00 C ATOM 480 CD1 LEU A 47 7.628 -7.158 -0.807 1.00 0.00 C ATOM 481 CD2 LEU A 47 9.380 -8.013 0.740 1.00 0.00 C ATOM 0 H LEU A 47 10.190 -5.613 2.197 1.00 0.00 H new ATOM 0 HA LEU A 47 11.645 -4.909 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.305 -5.343 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.453 -6.650 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 47 8.345 -6.147 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.883 -7.735 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.164 -6.260 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.027 -7.762 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.616 -8.582 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.808 -8.630 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.165 -7.721 1.438 1.00 0.00 H new ATOM 493 N TYR A 48 9.781 -3.068 -0.739 1.00 0.00 N ATOM 494 CA TYR A 48 9.433 -1.660 -0.785 1.00 0.00 C ATOM 495 C TYR A 48 8.421 -1.395 -1.890 1.00 0.00 C ATOM 496 O TYR A 48 8.084 -2.289 -2.670 1.00 0.00 O ATOM 497 CB TYR A 48 10.701 -0.825 -1.021 1.00 0.00 C ATOM 498 CG TYR A 48 11.385 -1.100 -2.347 1.00 0.00 C ATOM 499 CD1 TYR A 48 12.276 -2.158 -2.487 1.00 0.00 C ATOM 500 CD2 TYR A 48 11.136 -0.305 -3.460 1.00 0.00 C ATOM 501 CE1 TYR A 48 12.893 -2.416 -3.697 1.00 0.00 C ATOM 502 CE2 TYR A 48 11.750 -0.556 -4.671 1.00 0.00 C ATOM 503 CZ TYR A 48 12.626 -1.614 -4.783 1.00 0.00 C ATOM 504 OH TYR A 48 13.232 -1.877 -5.991 1.00 0.00 O ATOM 0 H TYR A 48 9.804 -3.524 -1.651 1.00 0.00 H new ATOM 0 HA TYR A 48 8.984 -1.376 0.167 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.442 0.232 -0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.407 -1.019 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.490 -2.789 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.449 0.524 -3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.581 -3.243 -3.790 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.545 0.073 -5.525 1.00 0.00 H new ATOM 0 HH TYR A 48 12.937 -1.220 -6.655 1.00 0.00 H new ATOM 514 N ILE A 49 7.949 -0.160 -1.954 1.00 0.00 N ATOM 515 CA ILE A 49 7.012 0.246 -2.983 1.00 0.00 C ATOM 516 C ILE A 49 7.790 0.718 -4.214 1.00 0.00 C ATOM 517 O ILE A 49 8.582 1.664 -4.153 1.00 0.00 O ATOM 518 CB ILE A 49 6.044 1.335 -2.443 1.00 0.00 C ATOM 519 CG1 ILE A 49 4.917 1.638 -3.432 1.00 0.00 C ATOM 520 CG2 ILE A 49 6.793 2.612 -2.110 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.243 2.742 -4.418 1.00 0.00 C ATOM 0 H ILE A 49 8.203 0.581 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 49 6.394 -0.602 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 49 5.597 0.937 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.679 0.729 -3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.023 1.915 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.092 3.357 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.545 2.405 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.281 2.992 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.394 2.897 -5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.452 3.664 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.118 2.460 -5.004 1.00 0.00 H new ATOM 533 N VAL A 50 7.583 0.034 -5.325 1.00 0.00 N ATOM 534 CA VAL A 50 8.399 0.242 -6.511 1.00 0.00 C ATOM 535 C VAL A 50 7.885 1.399 -7.356 1.00 0.00 C ATOM 536 O VAL A 50 8.670 2.143 -7.944 1.00 0.00 O ATOM 537 CB VAL A 50 8.458 -1.036 -7.378 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.389 -0.849 -8.568 1.00 0.00 C ATOM 539 CG2 VAL A 50 8.894 -2.229 -6.542 1.00 0.00 C ATOM 0 H VAL A 50 6.855 -0.672 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 50 9.402 0.486 -6.161 1.00 0.00 H new ATOM 0 HB VAL A 50 7.456 -1.228 -7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.411 -1.764 -9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.030 -0.026 -9.185 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.394 -0.623 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.930 -3.119 -7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.883 -2.039 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.182 -2.385 -5.731 1.00 0.00 H new ATOM 549 N GLN A 51 6.574 1.577 -7.394 1.00 0.00 N ATOM 550 CA GLN A 51 5.974 2.517 -8.309 1.00 0.00 C ATOM 551 C GLN A 51 4.622 2.975 -7.790 1.00 0.00 C ATOM 552 O GLN A 51 3.890 2.202 -7.172 1.00 0.00 O ATOM 553 CB GLN A 51 5.824 1.866 -9.688 1.00 0.00 C ATOM 554 CG GLN A 51 4.572 2.299 -10.412 1.00 0.00 C ATOM 555 CD GLN A 51 4.324 1.533 -11.693 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.257 1.064 -12.346 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.063 1.414 -12.067 1.00 0.00 N ATOM 0 H GLN A 51 5.911 1.080 -6.799 1.00 0.00 H new ATOM 0 HA GLN A 51 6.619 3.391 -8.395 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.693 2.114 -10.297 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.814 0.782 -9.573 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.716 2.172 -9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.643 3.362 -10.641 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.321 1.818 -11.495 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.831 0.918 -12.927 1.00 0.00 H new ATOM 566 N VAL A 52 4.305 4.233 -8.034 1.00 0.00 N ATOM 567 CA VAL A 52 3.005 4.775 -7.693 1.00 0.00 C ATOM 568 C VAL A 52 2.531 5.683 -8.819 1.00 0.00 C ATOM 569 O VAL A 52 3.334 6.138 -9.635 1.00 0.00 O ATOM 570 CB VAL A 52 3.039 5.571 -6.371 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.695 6.930 -6.557 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.645 5.724 -5.793 1.00 0.00 C ATOM 0 H VAL A 52 4.937 4.903 -8.471 1.00 0.00 H new ATOM 0 HA VAL A 52 2.317 3.940 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 52 3.643 5.004 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.702 7.464 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.719 6.795 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.135 7.507 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.697 6.288 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.012 6.255 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.222 4.739 -5.597 1.00 0.00 H new ATOM 582 N PHE A 53 1.239 5.932 -8.871 1.00 0.00 N ATOM 583 CA PHE A 53 0.685 6.834 -9.869 1.00 0.00 C ATOM 584 C PHE A 53 0.618 8.254 -9.304 1.00 0.00 C ATOM 585 O PHE A 53 1.579 8.707 -8.680 1.00 0.00 O ATOM 586 CB PHE A 53 -0.683 6.332 -10.330 1.00 0.00 C ATOM 587 CG PHE A 53 -0.615 4.966 -10.959 1.00 0.00 C ATOM 588 CD1 PHE A 53 -0.178 4.813 -12.265 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.971 3.836 -10.241 1.00 0.00 C ATOM 590 CE1 PHE A 53 -0.098 3.558 -12.842 1.00 0.00 C ATOM 591 CE2 PHE A 53 -0.895 2.581 -10.812 1.00 0.00 C ATOM 592 CZ PHE A 53 -0.457 2.442 -12.114 1.00 0.00 C ATOM 0 H PHE A 53 0.551 5.525 -8.237 1.00 0.00 H new ATOM 0 HA PHE A 53 1.333 6.857 -10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.361 6.302 -9.477 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.103 7.038 -11.047 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.103 5.683 -12.839 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.312 3.938 -9.221 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.245 3.452 -13.861 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.178 1.709 -10.241 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.395 1.461 -12.562 1.00 0.00 H new ATOM 602 N ASP A 54 -0.482 8.970 -9.516 1.00 0.00 N ATOM 603 CA ASP A 54 -0.604 10.319 -8.952 1.00 0.00 C ATOM 604 C ASP A 54 -1.999 10.604 -8.412 1.00 0.00 C ATOM 605 O ASP A 54 -2.156 11.239 -7.371 1.00 0.00 O ATOM 606 CB ASP A 54 -0.248 11.359 -10.008 1.00 0.00 C ATOM 607 CG ASP A 54 0.081 12.703 -9.398 1.00 0.00 C ATOM 608 OD1 ASP A 54 1.231 12.884 -8.945 1.00 0.00 O ATOM 609 OD2 ASP A 54 -0.803 13.585 -9.367 1.00 0.00 O ATOM 0 H ASP A 54 -1.285 8.654 -10.059 1.00 0.00 H new ATOM 0 HA ASP A 54 0.091 10.377 -8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.604 11.007 -10.589 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.082 11.471 -10.701 1.00 0.00 H new ATOM 614 N ASN A 55 -3.003 10.119 -9.107 1.00 0.00 N ATOM 615 CA ASN A 55 -4.383 10.436 -8.792 1.00 0.00 C ATOM 616 C ASN A 55 -5.024 9.295 -8.029 1.00 0.00 C ATOM 617 O ASN A 55 -6.217 9.325 -7.726 1.00 0.00 O ATOM 618 CB ASN A 55 -5.170 10.735 -10.066 1.00 0.00 C ATOM 619 CG ASN A 55 -4.686 11.997 -10.751 1.00 0.00 C ATOM 620 OD1 ASN A 55 -5.163 13.094 -10.465 1.00 0.00 O ATOM 621 ND2 ASN A 55 -3.737 11.855 -11.657 1.00 0.00 N ATOM 0 H ASN A 55 -2.889 9.495 -9.906 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.398 11.326 -8.163 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.081 9.893 -10.753 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.228 10.838 -9.823 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.374 12.672 -12.148 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.367 10.928 -11.867 1.00 0.00 H new ATOM 628 N THR A 56 -4.223 8.287 -7.724 1.00 0.00 N ATOM 629 CA THR A 56 -4.679 7.178 -6.928 1.00 0.00 C ATOM 630 C THR A 56 -4.587 7.576 -5.475 1.00 0.00 C ATOM 631 O THR A 56 -3.744 8.408 -5.140 1.00 0.00 O ATOM 632 CB THR A 56 -3.823 5.925 -7.174 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.462 6.162 -6.775 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.848 5.544 -8.636 1.00 0.00 C ATOM 0 H THR A 56 -3.250 8.222 -8.021 1.00 0.00 H new ATOM 0 HA THR A 56 -5.706 6.937 -7.202 1.00 0.00 H new ATOM 0 HB THR A 56 -4.240 5.111 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.860 5.621 -7.327 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.237 4.655 -8.791 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.874 5.336 -8.940 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.452 6.365 -9.233 1.00 0.00 H new ATOM 642 N PRO A 57 -5.428 7.035 -4.592 1.00 0.00 N ATOM 643 CA PRO A 57 -5.416 7.437 -3.188 1.00 0.00 C ATOM 644 C PRO A 57 -4.016 7.338 -2.597 1.00 0.00 C ATOM 645 O PRO A 57 -3.569 8.226 -1.868 1.00 0.00 O ATOM 646 CB PRO A 57 -6.367 6.444 -2.509 1.00 0.00 C ATOM 647 CG PRO A 57 -6.619 5.365 -3.517 1.00 0.00 C ATOM 648 CD PRO A 57 -6.430 5.997 -4.864 1.00 0.00 C ATOM 0 HA PRO A 57 -5.722 8.474 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.923 6.035 -1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.297 6.931 -2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.929 4.533 -3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.627 4.964 -3.414 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.078 5.278 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.359 6.420 -5.247 1.00 0.00 H new ATOM 656 N ALA A 58 -3.331 6.267 -2.971 1.00 0.00 N ATOM 657 CA ALA A 58 -1.962 6.009 -2.546 1.00 0.00 C ATOM 658 C ALA A 58 -1.012 7.119 -2.961 1.00 0.00 C ATOM 659 O ALA A 58 -0.153 7.534 -2.189 1.00 0.00 O ATOM 660 CB ALA A 58 -1.481 4.718 -3.153 1.00 0.00 C ATOM 0 H ALA A 58 -3.713 5.546 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.968 5.952 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.456 4.526 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.123 3.900 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.515 4.792 -4.240 1.00 0.00 H new ATOM 666 N ALA A 59 -1.135 7.575 -4.192 1.00 0.00 N ATOM 667 CA ALA A 59 -0.264 8.622 -4.674 1.00 0.00 C ATOM 668 C ALA A 59 -0.710 9.977 -4.155 1.00 0.00 C ATOM 669 O ALA A 59 0.060 10.701 -3.521 1.00 0.00 O ATOM 670 CB ALA A 59 -0.259 8.632 -6.180 1.00 0.00 C ATOM 0 H ALA A 59 -1.822 7.240 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 59 0.744 8.425 -4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.400 9.424 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.097 7.670 -6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.270 8.809 -6.546 1.00 0.00 H new ATOM 676 N LEU A 60 -1.965 10.296 -4.437 1.00 0.00 N ATOM 677 CA LEU A 60 -2.509 11.627 -4.177 1.00 0.00 C ATOM 678 C LEU A 60 -2.311 12.134 -2.743 1.00 0.00 C ATOM 679 O LEU A 60 -1.463 12.992 -2.503 1.00 0.00 O ATOM 680 CB LEU A 60 -3.966 11.691 -4.624 1.00 0.00 C ATOM 681 CG LEU A 60 -5.058 11.104 -3.761 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.638 12.213 -2.919 1.00 0.00 C ATOM 683 CD2 LEU A 60 -6.122 10.505 -4.645 1.00 0.00 C ATOM 0 H LEU A 60 -2.634 9.646 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.922 12.323 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.209 12.742 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.026 11.202 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.662 10.321 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.430 11.813 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.855 12.642 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.048 12.986 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.912 10.080 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.541 11.280 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.683 9.721 -5.262 1.00 0.00 H new ATOM 695 N ASP A 61 -3.071 11.624 -1.801 1.00 0.00 N ATOM 696 CA ASP A 61 -2.940 12.027 -0.408 1.00 0.00 C ATOM 697 C ASP A 61 -2.053 11.035 0.283 1.00 0.00 C ATOM 698 O ASP A 61 -1.564 11.247 1.394 1.00 0.00 O ATOM 699 CB ASP A 61 -4.312 12.091 0.270 1.00 0.00 C ATOM 700 CG ASP A 61 -4.251 12.685 1.666 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.048 13.914 1.784 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.408 11.933 2.651 1.00 0.00 O ATOM 0 H ASP A 61 -3.793 10.924 -1.970 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.502 13.023 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.988 12.686 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.732 11.087 0.325 1.00 0.00 H new ATOM 707 N GLY A 62 -1.846 9.948 -0.429 1.00 0.00 N ATOM 708 CA GLY A 62 -1.182 8.790 0.147 1.00 0.00 C ATOM 709 C GLY A 62 0.265 9.046 0.519 1.00 0.00 C ATOM 710 O GLY A 62 0.710 8.641 1.589 1.00 0.00 O ATOM 0 H GLY A 62 -2.125 9.838 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.727 8.474 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.226 7.965 -0.564 1.00 0.00 H new ATOM 714 N THR A 63 0.997 9.688 -0.390 1.00 0.00 N ATOM 715 CA THR A 63 2.417 10.038 -0.209 1.00 0.00 C ATOM 716 C THR A 63 3.286 8.792 -0.064 1.00 0.00 C ATOM 717 O THR A 63 4.477 8.866 0.247 1.00 0.00 O ATOM 718 CB THR A 63 2.645 10.991 0.988 1.00 0.00 C ATOM 719 OG1 THR A 63 2.474 10.316 2.241 1.00 0.00 O ATOM 720 CG2 THR A 63 1.670 12.147 0.907 1.00 0.00 C ATOM 0 H THR A 63 0.620 9.987 -1.289 1.00 0.00 H new ATOM 0 HA THR A 63 2.716 10.569 -1.113 1.00 0.00 H new ATOM 0 HB THR A 63 3.671 11.356 0.935 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.989 9.477 2.097 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.831 12.818 1.751 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.827 12.691 -0.025 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.650 11.765 0.937 1.00 0.00 H new ATOM 728 N VAL A 64 2.674 7.652 -0.318 1.00 0.00 N ATOM 729 CA VAL A 64 3.361 6.367 -0.294 1.00 0.00 C ATOM 730 C VAL A 64 3.921 6.053 -1.654 1.00 0.00 C ATOM 731 O VAL A 64 3.692 4.999 -2.246 1.00 0.00 O ATOM 732 CB VAL A 64 2.467 5.242 0.218 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.213 5.515 1.668 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.160 5.155 -0.558 1.00 0.00 C ATOM 0 H VAL A 64 1.682 7.586 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 64 4.188 6.445 0.412 1.00 0.00 H new ATOM 0 HB VAL A 64 2.960 4.280 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.575 4.733 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.160 5.531 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.718 6.480 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.554 4.341 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.615 6.094 -0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.373 4.968 -1.610 1.00 0.00 H new ATOM 744 N ALA A 65 4.671 7.010 -2.120 1.00 0.00 N ATOM 745 CA ALA A 65 5.162 7.019 -3.482 1.00 0.00 C ATOM 746 C ALA A 65 6.436 6.198 -3.620 1.00 0.00 C ATOM 747 O ALA A 65 7.030 5.783 -2.622 1.00 0.00 O ATOM 748 CB ALA A 65 5.394 8.450 -3.944 1.00 0.00 C ATOM 0 H ALA A 65 4.965 7.815 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 65 4.405 6.560 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.763 8.446 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.456 9.004 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.129 8.927 -3.296 1.00 0.00 H new ATOM 754 N ALA A 66 6.840 5.980 -4.867 1.00 0.00 N ATOM 755 CA ALA A 66 7.970 5.119 -5.192 1.00 0.00 C ATOM 756 C ALA A 66 9.208 5.467 -4.380 1.00 0.00 C ATOM 757 O ALA A 66 9.608 6.631 -4.299 1.00 0.00 O ATOM 758 CB ALA A 66 8.274 5.210 -6.678 1.00 0.00 C ATOM 0 H ALA A 66 6.391 6.397 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 66 7.693 4.097 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.119 4.565 -6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.402 4.891 -7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.519 6.240 -6.937 1.00 0.00 H new ATOM 764 N GLY A 67 9.803 4.453 -3.772 1.00 0.00 N ATOM 765 CA GLY A 67 11.003 4.661 -2.994 1.00 0.00 C ATOM 766 C GLY A 67 10.819 4.312 -1.534 1.00 0.00 C ATOM 767 O GLY A 67 11.792 4.020 -0.834 1.00 0.00 O ATOM 0 H GLY A 67 9.475 3.488 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.810 4.057 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.310 5.704 -3.078 1.00 0.00 H new ATOM 771 N ASP A 68 9.575 4.318 -1.067 1.00 0.00 N ATOM 772 CA ASP A 68 9.311 4.045 0.342 1.00 0.00 C ATOM 773 C ASP A 68 9.334 2.556 0.602 1.00 0.00 C ATOM 774 O ASP A 68 9.208 1.753 -0.320 1.00 0.00 O ATOM 775 CB ASP A 68 7.968 4.615 0.791 1.00 0.00 C ATOM 776 CG ASP A 68 8.135 5.720 1.811 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.425 5.409 2.981 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.998 6.907 1.444 1.00 0.00 O ATOM 0 H ASP A 68 8.746 4.505 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 68 10.098 4.534 0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.429 4.999 -0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.359 3.817 1.217 1.00 0.00 H new ATOM 783 N GLU A 69 9.488 2.189 1.855 1.00 0.00 N ATOM 784 CA GLU A 69 9.562 0.789 2.214 1.00 0.00 C ATOM 785 C GLU A 69 8.313 0.387 2.975 1.00 0.00 C ATOM 786 O GLU A 69 8.007 0.946 4.029 1.00 0.00 O ATOM 787 CB GLU A 69 10.817 0.505 3.033 1.00 0.00 C ATOM 788 CG GLU A 69 11.105 -0.976 3.181 1.00 0.00 C ATOM 789 CD GLU A 69 12.465 -1.248 3.774 1.00 0.00 C ATOM 790 OE1 GLU A 69 13.476 -1.051 3.065 1.00 0.00 O ATOM 791 OE2 GLU A 69 12.533 -1.668 4.941 1.00 0.00 O ATOM 0 H GLU A 69 9.564 2.836 2.639 1.00 0.00 H new ATOM 0 HA GLU A 69 9.622 0.194 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.671 0.990 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.707 0.949 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.341 -1.429 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.037 -1.455 2.204 1.00 0.00 H new ATOM 798 N ILE A 70 7.597 -0.585 2.436 1.00 0.00 N ATOM 799 CA ILE A 70 6.310 -0.971 2.986 1.00 0.00 C ATOM 800 C ILE A 70 6.508 -2.049 4.036 1.00 0.00 C ATOM 801 O ILE A 70 7.108 -3.087 3.760 1.00 0.00 O ATOM 802 CB ILE A 70 5.351 -1.484 1.887 1.00 0.00 C ATOM 803 CG1 ILE A 70 5.284 -0.493 0.719 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.960 -1.734 2.459 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.830 0.894 1.112 1.00 0.00 C ATOM 0 H ILE A 70 7.886 -1.121 1.618 1.00 0.00 H new ATOM 0 HA ILE A 70 5.859 -0.088 3.439 1.00 0.00 H new ATOM 0 HB ILE A 70 5.741 -2.430 1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.269 -0.424 0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.605 -0.885 -0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.301 -2.094 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.021 -2.481 3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.562 -0.805 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.810 1.534 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.831 0.841 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.522 1.309 1.845 1.00 0.00 H new ATOM 817 N THR A 71 6.026 -1.797 5.239 1.00 0.00 N ATOM 818 CA THR A 71 6.247 -2.716 6.339 1.00 0.00 C ATOM 819 C THR A 71 5.005 -3.553 6.643 1.00 0.00 C ATOM 820 O THR A 71 5.115 -4.698 7.084 1.00 0.00 O ATOM 821 CB THR A 71 6.712 -1.969 7.610 1.00 0.00 C ATOM 822 OG1 THR A 71 6.902 -2.889 8.693 1.00 0.00 O ATOM 823 CG2 THR A 71 5.715 -0.895 8.019 1.00 0.00 C ATOM 0 H THR A 71 5.482 -0.968 5.478 1.00 0.00 H new ATOM 0 HA THR A 71 7.040 -3.395 6.026 1.00 0.00 H new ATOM 0 HB THR A 71 7.661 -1.486 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.503 -3.609 8.409 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.073 -0.389 8.916 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.609 -0.170 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.748 -1.355 8.223 1.00 0.00 H new ATOM 831 N GLY A 72 3.825 -3.005 6.387 1.00 0.00 N ATOM 832 CA GLY A 72 2.622 -3.728 6.723 1.00 0.00 C ATOM 833 C GLY A 72 1.381 -3.200 6.044 1.00 0.00 C ATOM 834 O GLY A 72 1.273 -2.009 5.742 1.00 0.00 O ATOM 0 H GLY A 72 3.683 -2.089 5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.753 -4.776 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.477 -3.691 7.803 1.00 0.00 H new ATOM 838 N VAL A 73 0.441 -4.101 5.826 1.00 0.00 N ATOM 839 CA VAL A 73 -0.828 -3.787 5.235 1.00 0.00 C ATOM 840 C VAL A 73 -1.903 -3.859 6.313 1.00 0.00 C ATOM 841 O VAL A 73 -2.040 -4.881 6.979 1.00 0.00 O ATOM 842 CB VAL A 73 -1.150 -4.785 4.090 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.343 -6.071 4.244 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.626 -5.119 4.077 1.00 0.00 C ATOM 0 H VAL A 73 0.549 -5.087 6.062 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.797 -2.782 4.813 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.879 -4.308 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.587 -6.753 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.721 -5.838 4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.586 -6.541 5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.833 -5.820 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.905 -5.571 5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.204 -4.208 3.925 1.00 0.00 H new ATOM 854 N ASN A 74 -2.626 -2.763 6.514 1.00 0.00 N ATOM 855 CA ASN A 74 -3.740 -2.736 7.465 1.00 0.00 C ATOM 856 C ASN A 74 -3.352 -3.280 8.845 1.00 0.00 C ATOM 857 O ASN A 74 -4.174 -3.865 9.547 1.00 0.00 O ATOM 858 CB ASN A 74 -4.926 -3.521 6.899 1.00 0.00 C ATOM 859 CG ASN A 74 -5.779 -2.688 5.962 1.00 0.00 C ATOM 860 OD1 ASN A 74 -5.286 -1.788 5.280 1.00 0.00 O ATOM 861 ND2 ASN A 74 -7.067 -2.980 5.924 1.00 0.00 N ATOM 0 H ASN A 74 -2.463 -1.879 6.032 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.021 -1.692 7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.557 -4.397 6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.543 -3.884 7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.692 -2.452 5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.437 -3.733 6.504 1.00 0.00 H new ATOM 868 N GLY A 75 -2.093 -3.087 9.225 1.00 0.00 N ATOM 869 CA GLY A 75 -1.644 -3.470 10.550 1.00 0.00 C ATOM 870 C GLY A 75 -0.866 -4.774 10.576 1.00 0.00 C ATOM 871 O GLY A 75 -0.110 -5.025 11.517 1.00 0.00 O ATOM 0 H GLY A 75 -1.373 -2.670 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.018 -2.675 10.956 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.510 -3.560 11.206 1.00 0.00 H new ATOM 875 N ARG A 76 -1.031 -5.607 9.555 1.00 0.00 N ATOM 876 CA ARG A 76 -0.310 -6.847 9.480 1.00 0.00 C ATOM 877 C ARG A 76 0.881 -6.710 8.536 1.00 0.00 C ATOM 878 O ARG A 76 0.730 -6.311 7.382 1.00 0.00 O ATOM 879 CB ARG A 76 -1.252 -7.956 9.031 1.00 0.00 C ATOM 880 CG ARG A 76 -1.947 -7.691 7.716 1.00 0.00 C ATOM 881 CD ARG A 76 -3.079 -8.672 7.474 1.00 0.00 C ATOM 882 NE ARG A 76 -4.190 -8.462 8.399 1.00 0.00 N ATOM 883 CZ ARG A 76 -5.186 -9.325 8.581 1.00 0.00 C ATOM 884 NH1 ARG A 76 -5.178 -10.497 7.954 1.00 0.00 N ATOM 885 NH2 ARG A 76 -6.180 -9.023 9.406 1.00 0.00 N ATOM 0 H ARG A 76 -1.662 -5.435 8.772 1.00 0.00 H new ATOM 0 HA ARG A 76 0.079 -7.104 10.465 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.687 -8.885 8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.007 -8.109 9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.339 -6.674 7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.225 -7.760 6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.436 -8.569 6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.706 -9.690 7.581 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.203 -7.598 8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.407 -10.737 7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.943 -11.156 8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.180 -8.130 9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.944 -9.683 9.547 1.00 0.00 H new ATOM 899 N SER A 77 2.065 -7.016 9.044 1.00 0.00 N ATOM 900 CA SER A 77 3.294 -6.893 8.272 1.00 0.00 C ATOM 901 C SER A 77 3.261 -7.799 7.042 1.00 0.00 C ATOM 902 O SER A 77 2.625 -8.855 7.051 1.00 0.00 O ATOM 903 CB SER A 77 4.487 -7.245 9.159 1.00 0.00 C ATOM 904 OG SER A 77 4.484 -6.454 10.336 1.00 0.00 O ATOM 0 H SER A 77 2.202 -7.354 9.996 1.00 0.00 H new ATOM 0 HA SER A 77 3.390 -5.864 7.926 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.451 -8.302 9.424 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.415 -7.086 8.610 1.00 0.00 H new ATOM 0 HG SER A 77 5.254 -6.694 10.893 1.00 0.00 H new ATOM 910 N ILE A 78 3.943 -7.378 5.980 1.00 0.00 N ATOM 911 CA ILE A 78 3.971 -8.153 4.742 1.00 0.00 C ATOM 912 C ILE A 78 5.007 -9.260 4.858 1.00 0.00 C ATOM 913 O ILE A 78 4.997 -10.233 4.105 1.00 0.00 O ATOM 914 CB ILE A 78 4.310 -7.302 3.490 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.811 -6.977 3.394 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.485 -6.023 3.468 1.00 0.00 C ATOM 917 CD1 ILE A 78 6.339 -6.059 4.477 1.00 0.00 C ATOM 0 H ILE A 78 4.480 -6.511 5.951 1.00 0.00 H new ATOM 0 HA ILE A 78 2.966 -8.554 4.609 1.00 0.00 H new ATOM 0 HB ILE A 78 4.053 -7.903 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.372 -7.911 3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.007 -6.520 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.739 -5.442 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.425 -6.274 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.700 -5.436 4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.405 -5.890 4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.811 -5.106 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.182 -6.519 5.453 1.00 0.00 H new ATOM 929 N LYS A 79 5.887 -9.082 5.832 1.00 0.00 N ATOM 930 CA LYS A 79 7.038 -9.945 6.048 1.00 0.00 C ATOM 931 C LYS A 79 6.616 -11.380 6.355 1.00 0.00 C ATOM 932 O LYS A 79 7.370 -12.324 6.121 1.00 0.00 O ATOM 933 CB LYS A 79 7.858 -9.358 7.200 1.00 0.00 C ATOM 934 CG LYS A 79 9.098 -10.153 7.580 1.00 0.00 C ATOM 935 CD LYS A 79 9.795 -9.539 8.787 1.00 0.00 C ATOM 936 CE LYS A 79 10.271 -8.120 8.503 1.00 0.00 C ATOM 937 NZ LYS A 79 10.781 -7.443 9.722 1.00 0.00 N ATOM 0 H LYS A 79 5.820 -8.320 6.506 1.00 0.00 H new ATOM 0 HA LYS A 79 7.639 -9.987 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.162 -8.347 6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.216 -9.275 8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.819 -11.183 7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.787 -10.184 6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.112 -9.530 9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.646 -10.158 9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.058 -8.147 7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.448 -7.540 8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.291 -6.578 9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.983 -7.195 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.427 -8.081 10.229 1.00 0.00 H new ATOM 951 N GLY A 80 5.403 -11.539 6.860 1.00 0.00 N ATOM 952 CA GLY A 80 4.922 -12.854 7.219 1.00 0.00 C ATOM 953 C GLY A 80 4.374 -13.630 6.041 1.00 0.00 C ATOM 954 O GLY A 80 4.152 -14.837 6.144 1.00 0.00 O ATOM 0 H GLY A 80 4.743 -10.780 7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.736 -13.420 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.143 -12.755 7.975 1.00 0.00 H new ATOM 958 N LYS A 81 4.154 -12.961 4.913 1.00 0.00 N ATOM 959 CA LYS A 81 3.579 -13.630 3.759 1.00 0.00 C ATOM 960 C LYS A 81 4.298 -13.208 2.479 1.00 0.00 C ATOM 961 O LYS A 81 5.528 -13.211 2.431 1.00 0.00 O ATOM 962 CB LYS A 81 2.060 -13.379 3.669 1.00 0.00 C ATOM 963 CG LYS A 81 1.647 -11.913 3.591 1.00 0.00 C ATOM 964 CD LYS A 81 1.803 -11.191 4.919 1.00 0.00 C ATOM 965 CE LYS A 81 0.761 -11.632 5.935 1.00 0.00 C ATOM 966 NZ LYS A 81 1.017 -11.055 7.281 1.00 0.00 N ATOM 0 H LYS A 81 4.362 -11.972 4.777 1.00 0.00 H new ATOM 0 HA LYS A 81 3.720 -14.704 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.674 -13.896 2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.582 -13.829 4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.249 -11.409 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.608 -11.849 3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.800 -11.378 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.720 -10.116 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.229 -11.330 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.757 -12.720 6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.158 -11.824 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.869 -10.460 7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.203 -10.477 7.572 1.00 0.00 H new ATOM 980 N THR A 82 3.543 -12.841 1.454 1.00 0.00 N ATOM 981 CA THR A 82 4.121 -12.508 0.164 1.00 0.00 C ATOM 982 C THR A 82 3.317 -11.423 -0.530 1.00 0.00 C ATOM 983 O THR A 82 2.193 -11.126 -0.125 1.00 0.00 O ATOM 984 CB THR A 82 4.203 -13.737 -0.764 1.00 0.00 C ATOM 985 OG1 THR A 82 3.008 -14.519 -0.648 1.00 0.00 O ATOM 986 CG2 THR A 82 5.421 -14.596 -0.448 1.00 0.00 C ATOM 0 H THR A 82 2.526 -12.767 1.493 1.00 0.00 H new ATOM 0 HA THR A 82 5.131 -12.148 0.361 1.00 0.00 H new ATOM 0 HB THR A 82 4.304 -13.377 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.963 -14.917 0.247 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.447 -15.453 -1.121 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.327 -14.005 -0.579 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.362 -14.946 0.583 1.00 0.00 H new ATOM 994 N LYS A 83 3.900 -10.843 -1.566 1.00 0.00 N ATOM 995 CA LYS A 83 3.263 -9.799 -2.351 1.00 0.00 C ATOM 996 C LYS A 83 1.849 -10.179 -2.787 1.00 0.00 C ATOM 997 O LYS A 83 0.897 -9.439 -2.545 1.00 0.00 O ATOM 998 CB LYS A 83 4.122 -9.509 -3.574 1.00 0.00 C ATOM 999 CG LYS A 83 5.150 -10.591 -3.859 1.00 0.00 C ATOM 1000 CD LYS A 83 5.726 -10.453 -5.248 1.00 0.00 C ATOM 1001 CE LYS A 83 6.302 -9.071 -5.469 1.00 0.00 C ATOM 1002 NZ LYS A 83 6.787 -8.914 -6.851 1.00 0.00 N ATOM 0 H LYS A 83 4.837 -11.086 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 83 3.175 -8.912 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.476 -9.394 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.636 -8.558 -3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.953 -10.535 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.687 -11.572 -3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.504 -11.202 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.949 -10.648 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.541 -8.319 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.121 -8.899 -4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.730 -7.913 -7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.775 -9.234 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.199 -9.484 -7.492 1.00 0.00 H new ATOM 1016 N VAL A 84 1.717 -11.332 -3.420 1.00 0.00 N ATOM 1017 CA VAL A 84 0.442 -11.797 -3.912 1.00 0.00 C ATOM 1018 C VAL A 84 -0.614 -11.867 -2.796 1.00 0.00 C ATOM 1019 O VAL A 84 -1.781 -11.530 -3.009 1.00 0.00 O ATOM 1020 CB VAL A 84 0.619 -13.167 -4.588 1.00 0.00 C ATOM 1021 CG1 VAL A 84 1.264 -14.168 -3.645 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -0.704 -13.676 -5.086 1.00 0.00 C ATOM 0 H VAL A 84 2.493 -11.968 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 84 0.077 -11.078 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 84 1.287 -13.042 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.375 -15.126 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.245 -13.802 -3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.635 -14.295 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.565 -14.646 -5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.393 -13.779 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.115 -12.972 -5.810 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.190 -12.271 -1.603 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.094 -12.380 -0.466 1.00 0.00 C ATOM 1034 C GLU A 85 -1.433 -11.010 0.113 1.00 0.00 C ATOM 1035 O GLU A 85 -2.572 -10.763 0.511 1.00 0.00 O ATOM 1036 CB GLU A 85 -0.477 -13.254 0.623 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.095 -14.643 0.148 1.00 0.00 C ATOM 1038 CD GLU A 85 0.337 -15.543 1.288 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -0.521 -15.909 2.118 1.00 0.00 O ATOM 1040 OE2 GLU A 85 1.536 -15.886 1.363 1.00 0.00 O ATOM 0 H GLU A 85 0.776 -12.528 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.015 -12.840 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.410 -12.757 1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.184 -13.344 1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.943 -15.094 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.714 -14.566 -0.578 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.449 -10.121 0.163 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.662 -8.802 0.741 1.00 0.00 C ATOM 1049 C VAL A 86 -1.545 -7.946 -0.163 1.00 0.00 C ATOM 1050 O VAL A 86 -2.460 -7.274 0.311 1.00 0.00 O ATOM 1051 CB VAL A 86 0.662 -8.073 1.057 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.504 -8.894 2.013 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.472 -7.776 -0.187 1.00 0.00 C ATOM 0 H VAL A 86 0.495 -10.287 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.176 -8.955 1.690 1.00 0.00 H new ATOM 0 HB VAL A 86 0.391 -7.123 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.433 -8.366 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.954 -9.048 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.731 -9.860 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.392 -7.263 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.716 -8.710 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.891 -7.141 -0.856 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.264 -7.986 -1.460 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.137 -7.389 -2.473 1.00 0.00 C ATOM 1065 C ALA A 87 -3.560 -7.897 -2.308 1.00 0.00 C ATOM 1066 O ALA A 87 -4.519 -7.135 -2.437 1.00 0.00 O ATOM 1067 CB ALA A 87 -1.635 -7.721 -3.866 1.00 0.00 C ATOM 0 H ALA A 87 -0.429 -8.430 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.127 -6.307 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.295 -7.270 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.626 -7.329 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.624 -8.803 -4.000 1.00 0.00 H new ATOM 1073 N LYS A 88 -3.696 -9.190 -2.012 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.008 -9.775 -1.802 1.00 0.00 C ATOM 1075 C LYS A 88 -5.689 -9.125 -0.615 1.00 0.00 C ATOM 1076 O LYS A 88 -6.814 -8.672 -0.728 1.00 0.00 O ATOM 1077 CB LYS A 88 -4.931 -11.280 -1.582 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.296 -11.902 -1.386 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.269 -13.406 -1.603 1.00 0.00 C ATOM 1080 CE LYS A 88 -5.371 -14.104 -0.606 1.00 0.00 C ATOM 1081 NZ LYS A 88 -5.984 -14.185 0.745 1.00 0.00 N ATOM 0 H LYS A 88 -2.918 -9.842 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.590 -9.595 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.442 -11.745 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.311 -11.486 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.652 -11.687 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.005 -11.448 -2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.281 -13.803 -1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.924 -13.621 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.149 -15.110 -0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.422 -13.572 -0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.332 -14.671 1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.173 -13.225 1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.877 -14.715 0.690 1.00 0.00 H new ATOM 1095 N MET A 89 -4.998 -9.091 0.521 1.00 0.00 N ATOM 1096 CA MET A 89 -5.507 -8.436 1.719 1.00 0.00 C ATOM 1097 C MET A 89 -5.906 -6.994 1.454 1.00 0.00 C ATOM 1098 O MET A 89 -6.958 -6.536 1.897 1.00 0.00 O ATOM 1099 CB MET A 89 -4.464 -8.505 2.803 1.00 0.00 C ATOM 1100 CG MET A 89 -4.454 -9.858 3.454 1.00 0.00 C ATOM 1101 SD MET A 89 -5.926 -10.138 4.459 1.00 0.00 S ATOM 1102 CE MET A 89 -5.677 -11.831 4.980 1.00 0.00 C ATOM 0 H MET A 89 -4.077 -9.514 0.636 1.00 0.00 H new ATOM 0 HA MET A 89 -6.408 -8.960 2.039 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.481 -8.293 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.662 -7.738 3.552 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.388 -10.629 2.686 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.566 -9.953 4.078 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.501 -12.138 5.624 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.640 -12.479 4.105 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.739 -11.908 5.529 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.065 -6.296 0.711 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.320 -4.914 0.345 1.00 0.00 C ATOM 1114 C ILE A 90 -6.609 -4.790 -0.474 1.00 0.00 C ATOM 1115 O ILE A 90 -7.388 -3.863 -0.275 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.105 -4.338 -0.419 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -2.952 -4.122 0.566 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.451 -3.042 -1.142 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -1.631 -3.779 -0.084 1.00 0.00 C ATOM 0 H ILE A 90 -4.189 -6.670 0.346 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.461 -4.330 1.255 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.805 -5.053 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.223 -3.321 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.826 -5.026 1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.570 -2.671 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.249 -3.228 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.782 -2.298 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.871 -3.643 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.332 -4.588 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.736 -2.858 -0.657 1.00 0.00 H new ATOM 1131 N GLN A 91 -6.847 -5.739 -1.375 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.085 -5.770 -2.133 1.00 0.00 C ATOM 1133 C GLN A 91 -9.244 -6.301 -1.289 1.00 0.00 C ATOM 1134 O GLN A 91 -10.367 -5.812 -1.398 1.00 0.00 O ATOM 1135 CB GLN A 91 -7.913 -6.618 -3.385 1.00 0.00 C ATOM 1136 CG GLN A 91 -6.967 -6.003 -4.400 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.027 -6.694 -5.746 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -8.071 -7.211 -6.147 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -5.912 -6.701 -6.455 1.00 0.00 N ATOM 0 H GLN A 91 -6.197 -6.494 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.325 -4.747 -2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -7.540 -7.602 -3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -8.887 -6.768 -3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.211 -4.948 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -5.948 -6.051 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.070 -6.261 -6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.894 -7.146 -7.372 1.00 0.00 H new ATOM 1148 N GLU A 92 -8.947 -7.269 -0.428 1.00 0.00 N ATOM 1149 CA GLU A 92 -9.943 -7.932 0.407 1.00 0.00 C ATOM 1150 C GLU A 92 -10.660 -6.930 1.293 1.00 0.00 C ATOM 1151 O GLU A 92 -11.880 -6.981 1.453 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.249 -8.995 1.261 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.102 -9.562 2.372 1.00 0.00 C ATOM 1154 CD GLU A 92 -11.222 -10.448 1.871 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -10.928 -11.519 1.296 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -12.404 -10.094 2.074 1.00 0.00 O ATOM 0 H GLU A 92 -7.999 -7.619 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.689 -8.404 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.929 -9.811 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.349 -8.562 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.470 -10.135 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.527 -8.741 2.950 1.00 0.00 H new ATOM 1163 N VAL A 93 -9.885 -6.038 1.880 1.00 0.00 N ATOM 1164 CA VAL A 93 -10.435 -4.932 2.655 1.00 0.00 C ATOM 1165 C VAL A 93 -11.124 -3.920 1.722 1.00 0.00 C ATOM 1166 O VAL A 93 -10.643 -2.815 1.461 1.00 0.00 O ATOM 1167 CB VAL A 93 -9.339 -4.270 3.529 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -8.660 -5.337 4.367 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -8.303 -3.524 2.696 1.00 0.00 C ATOM 0 H VAL A 93 -8.866 -6.055 1.837 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.192 -5.320 3.337 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.822 -3.533 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.888 -4.878 4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.397 -5.820 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.206 -6.080 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.558 -3.079 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.814 -4.220 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.795 -2.739 2.122 1.00 0.00 H new ATOM 1179 N LYS A 94 -12.264 -4.330 1.202 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.971 -3.564 0.195 1.00 0.00 C ATOM 1181 C LYS A 94 -13.359 -2.189 0.709 1.00 0.00 C ATOM 1182 O LYS A 94 -13.948 -2.052 1.782 1.00 0.00 O ATOM 1183 CB LYS A 94 -14.212 -4.324 -0.277 1.00 0.00 C ATOM 1184 CG LYS A 94 -13.885 -5.676 -0.888 1.00 0.00 C ATOM 1185 CD LYS A 94 -15.132 -6.410 -1.346 1.00 0.00 C ATOM 1186 CE LYS A 94 -14.773 -7.727 -2.012 1.00 0.00 C ATOM 1187 NZ LYS A 94 -15.975 -8.500 -2.414 1.00 0.00 N ATOM 0 H LYS A 94 -12.725 -5.201 1.465 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.296 -3.425 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.886 -4.467 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.744 -3.719 -1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.214 -5.538 -1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.354 -6.285 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.784 -6.596 -0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.691 -5.786 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.158 -7.532 -2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.171 -8.325 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.681 -9.390 -2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.550 -8.710 -1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.538 -7.942 -3.087 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.973 -1.166 -0.030 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.460 0.158 0.258 1.00 0.00 C ATOM 1203 C GLY A 95 -12.475 1.009 1.017 1.00 0.00 C ATOM 1204 O GLY A 95 -12.495 2.227 0.894 1.00 0.00 O ATOM 0 H GLY A 95 -12.333 -1.230 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.712 0.656 -0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.381 0.080 0.835 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.600 0.386 1.787 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.707 1.130 2.640 1.00 0.00 C ATOM 1210 C GLU A 96 -9.270 0.757 2.340 1.00 0.00 C ATOM 1211 O GLU A 96 -8.998 -0.187 1.599 1.00 0.00 O ATOM 1212 CB GLU A 96 -11.008 0.863 4.108 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.542 -0.507 4.548 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.599 -0.708 6.046 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -9.658 -0.277 6.738 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -11.579 -1.309 6.538 1.00 0.00 O ATOM 0 H GLU A 96 -11.493 -0.627 1.835 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.856 2.192 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.523 1.623 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.081 0.952 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.157 -1.265 4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.518 -0.661 4.207 1.00 0.00 H new ATOM 1223 N VAL A 97 -8.372 1.497 2.943 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.969 1.422 2.670 1.00 0.00 C ATOM 1225 C VAL A 97 -6.154 1.949 3.861 1.00 0.00 C ATOM 1226 O VAL A 97 -6.416 3.045 4.364 1.00 0.00 O ATOM 1227 CB VAL A 97 -6.699 2.275 1.426 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -5.336 2.886 1.472 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -6.898 1.452 0.178 1.00 0.00 C ATOM 0 H VAL A 97 -8.610 2.186 3.657 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.672 0.387 2.502 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.415 3.097 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.175 3.485 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.252 3.522 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.585 2.097 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.703 2.069 -0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.211 0.606 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.924 1.086 0.144 1.00 0.00 H new ATOM 1239 N THR A 98 -5.188 1.164 4.329 1.00 0.00 N ATOM 1240 CA THR A 98 -4.275 1.620 5.369 1.00 0.00 C ATOM 1241 C THR A 98 -2.846 1.137 5.093 1.00 0.00 C ATOM 1242 O THR A 98 -2.527 -0.043 5.271 1.00 0.00 O ATOM 1243 CB THR A 98 -4.718 1.139 6.763 1.00 0.00 C ATOM 1244 OG1 THR A 98 -6.092 1.478 6.989 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.858 1.774 7.844 1.00 0.00 C ATOM 0 H THR A 98 -5.018 0.212 4.005 1.00 0.00 H new ATOM 0 HA THR A 98 -4.295 2.710 5.356 1.00 0.00 H new ATOM 0 HB THR A 98 -4.600 0.056 6.804 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.364 1.166 7.877 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.185 1.423 8.823 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.815 1.497 7.689 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.956 2.859 7.797 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.989 2.058 4.671 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.609 1.728 4.319 1.00 0.00 C ATOM 1255 C ILE A 99 0.334 2.015 5.477 1.00 0.00 C ATOM 1256 O ILE A 99 0.102 2.931 6.254 1.00 0.00 O ATOM 1257 CB ILE A 99 -0.093 2.498 3.076 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.686 3.916 2.984 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.362 1.711 1.804 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -2.068 3.983 2.364 1.00 0.00 C ATOM 0 H ILE A 99 -2.224 3.045 4.563 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.619 0.664 4.085 1.00 0.00 H new ATOM 0 HB ILE A 99 0.985 2.611 3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.731 4.343 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.010 4.541 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.008 2.270 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.147 0.749 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.434 1.549 1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.406 5.019 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.030 3.590 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.762 3.388 2.958 1.00 0.00 H new ATOM 1272 N HIS A 100 1.393 1.219 5.587 1.00 0.00 N ATOM 1273 CA HIS A 100 2.407 1.414 6.622 1.00 0.00 C ATOM 1274 C HIS A 100 3.791 1.389 5.994 1.00 0.00 C ATOM 1275 O HIS A 100 4.160 0.414 5.336 1.00 0.00 O ATOM 1276 CB HIS A 100 2.316 0.324 7.697 1.00 0.00 C ATOM 1277 CG HIS A 100 1.023 0.312 8.452 1.00 0.00 C ATOM 1278 ND1 HIS A 100 0.715 0.755 9.693 1.00 0.00 N flip ATOM 1279 CD2 HIS A 100 -0.145 -0.202 7.931 1.00 0.00 C flip ATOM 1280 CE1 HIS A 100 -0.617 0.504 9.893 1.00 0.00 C flip ATOM 1281 NE2 HIS A 100 -1.112 -0.071 8.817 1.00 0.00 N flip ATOM 0 H HIS A 100 1.573 0.428 4.969 1.00 0.00 H new ATOM 0 HA HIS A 100 2.230 2.381 7.094 1.00 0.00 H new ATOM 0 HB2 HIS A 100 2.457 -0.648 7.225 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.135 0.457 8.404 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.251 -0.643 6.951 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -1.172 0.740 10.789 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -2.080 -0.365 8.690 1.00 0.00 H new ATOM 1290 N TYR A 101 4.553 2.452 6.195 1.00 0.00 N ATOM 1291 CA TYR A 101 5.874 2.566 5.595 1.00 0.00 C ATOM 1292 C TYR A 101 6.910 3.034 6.613 1.00 0.00 C ATOM 1293 O TYR A 101 6.608 3.828 7.504 1.00 0.00 O ATOM 1294 CB TYR A 101 5.832 3.522 4.393 1.00 0.00 C ATOM 1295 CG TYR A 101 5.295 4.905 4.709 1.00 0.00 C ATOM 1296 CD1 TYR A 101 3.931 5.167 4.662 1.00 0.00 C ATOM 1297 CD2 TYR A 101 6.150 5.947 5.044 1.00 0.00 C ATOM 1298 CE1 TYR A 101 3.437 6.427 4.942 1.00 0.00 C ATOM 1299 CE2 TYR A 101 5.663 7.208 5.324 1.00 0.00 C ATOM 1300 CZ TYR A 101 4.306 7.443 5.272 1.00 0.00 C ATOM 1301 OH TYR A 101 3.816 8.698 5.549 1.00 0.00 O ATOM 0 H TYR A 101 4.280 3.249 6.769 1.00 0.00 H new ATOM 0 HA TYR A 101 6.172 1.576 5.249 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.839 3.621 3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.216 3.077 3.612 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.246 4.373 4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.214 5.768 5.086 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.374 6.614 4.902 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.342 8.007 5.583 1.00 0.00 H new ATOM 0 HH TYR A 101 4.559 9.299 5.765 1.00 0.00 H new ATOM 1311 N ASN A 102 8.124 2.518 6.474 1.00 0.00 N ATOM 1312 CA ASN A 102 9.252 2.909 7.317 1.00 0.00 C ATOM 1313 C ASN A 102 10.450 3.115 6.402 1.00 0.00 C ATOM 1314 O ASN A 102 10.302 3.085 5.179 1.00 0.00 O ATOM 1315 CB ASN A 102 9.596 1.822 8.359 1.00 0.00 C ATOM 1316 CG ASN A 102 8.403 1.288 9.121 1.00 0.00 C ATOM 1317 OD1 ASN A 102 7.457 2.010 9.433 1.00 0.00 O ATOM 1318 ND2 ASN A 102 8.443 0.001 9.426 1.00 0.00 N ATOM 0 H ASN A 102 8.357 1.815 5.773 1.00 0.00 H new ATOM 0 HA ASN A 102 8.993 3.816 7.863 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.089 0.993 7.852 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.313 2.232 9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.671 -0.426 9.938 1.00 0.00 H new ATOM 0 HD22 ASN A 102 9.246 -0.564 9.149 1.00 0.00 H new ATOM 1325 N LYS A 103 11.631 3.322 6.969 1.00 0.00 N ATOM 1326 CA LYS A 103 12.842 3.415 6.160 1.00 0.00 C ATOM 1327 C LYS A 103 13.608 2.105 6.234 1.00 0.00 C ATOM 1328 O LYS A 103 14.616 1.915 5.552 1.00 0.00 O ATOM 1329 CB LYS A 103 13.720 4.582 6.623 1.00 0.00 C ATOM 1330 CG LYS A 103 13.452 5.906 5.907 1.00 0.00 C ATOM 1331 CD LYS A 103 12.000 6.357 6.017 1.00 0.00 C ATOM 1332 CE LYS A 103 11.211 6.046 4.751 1.00 0.00 C ATOM 1333 NZ LYS A 103 9.833 6.600 4.801 1.00 0.00 N ATOM 0 H LYS A 103 11.778 3.428 7.973 1.00 0.00 H new ATOM 0 HA LYS A 103 12.559 3.603 5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 103 13.573 4.727 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 103 14.766 4.312 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 103 14.099 6.677 6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 103 13.717 5.804 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 103 11.530 5.864 6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 103 11.967 7.429 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.735 6.456 3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.162 4.966 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.305 6.294 3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.351 6.256 5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.877 7.639 4.823 1.00 0.00 H new ATOM 1347 N LEU A 104 13.101 1.206 7.068 1.00 0.00 N ATOM 1348 CA LEU A 104 13.694 -0.103 7.282 1.00 0.00 C ATOM 1349 C LEU A 104 12.817 -0.889 8.244 1.00 0.00 C ATOM 1350 O LEU A 104 11.979 -0.302 8.936 1.00 0.00 O ATOM 1351 CB LEU A 104 15.124 0.030 7.820 1.00 0.00 C ATOM 1352 CG LEU A 104 15.256 0.811 9.122 1.00 0.00 C ATOM 1353 CD1 LEU A 104 15.096 -0.105 10.317 1.00 0.00 C ATOM 1354 CD2 LEU A 104 16.575 1.551 9.177 1.00 0.00 C ATOM 0 H LEU A 104 12.258 1.369 7.619 1.00 0.00 H new ATOM 0 HA LEU A 104 13.753 -0.637 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 104 15.533 -0.969 7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.738 0.514 7.060 1.00 0.00 H new ATOM 0 HG LEU A 104 14.456 1.551 9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.194 0.474 11.235 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.112 -0.574 10.287 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.866 -0.876 10.290 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.645 2.101 10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 104 17.396 0.837 9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.635 2.249 8.342 1.00 0.00 H new ATOM 1366 N GLN A 105 13.001 -2.198 8.288 1.00 0.00 N ATOM 1367 CA GLN A 105 12.179 -3.052 9.133 1.00 0.00 C ATOM 1368 C GLN A 105 12.903 -4.342 9.495 1.00 0.00 C ATOM 1369 O GLN A 105 12.504 -5.436 9.088 1.00 0.00 O ATOM 1370 CB GLN A 105 10.852 -3.354 8.433 1.00 0.00 C ATOM 1371 CG GLN A 105 11.009 -3.681 6.957 1.00 0.00 C ATOM 1372 CD GLN A 105 9.686 -3.892 6.254 1.00 0.00 C ATOM 1373 OE1 GLN A 105 8.720 -4.373 6.845 1.00 0.00 O ATOM 1374 NE2 GLN A 105 9.631 -3.515 4.986 1.00 0.00 N ATOM 0 H GLN A 105 13.711 -2.693 7.749 1.00 0.00 H new ATOM 0 HA GLN A 105 11.978 -2.520 10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 105 10.368 -4.193 8.934 1.00 0.00 H new ATOM 0 HB3 GLN A 105 10.190 -2.494 8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 105 11.550 -2.871 6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 105 11.617 -4.580 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 105 10.456 -3.121 4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.763 -3.619 4.460 1.00 0.00 H new ATOM 1383 N ALA A 106 13.967 -4.208 10.268 1.00 0.00 N ATOM 1384 CA ALA A 106 14.711 -5.363 10.744 1.00 0.00 C ATOM 1385 C ALA A 106 15.404 -5.072 12.065 1.00 0.00 C ATOM 1386 O ALA A 106 15.682 -3.921 12.407 1.00 0.00 O ATOM 1387 CB ALA A 106 15.734 -5.829 9.721 1.00 0.00 C ATOM 0 H ALA A 106 14.336 -3.310 10.580 1.00 0.00 H new ATOM 0 HA ALA A 106 13.985 -6.162 10.898 1.00 0.00 H new ATOM 0 HB1 ALA A 106 16.271 -6.694 10.111 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.225 -6.104 8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 106 16.440 -5.024 9.520 1.00 0.00 H new ATOM 1393 N ASP A 107 15.677 -6.137 12.789 1.00 0.00 N ATOM 1394 CA ASP A 107 16.399 -6.079 14.050 1.00 0.00 C ATOM 1395 C ASP A 107 17.438 -7.174 14.008 1.00 0.00 C ATOM 1396 O ASP A 107 17.261 -8.099 13.239 1.00 0.00 O ATOM 1397 CB ASP A 107 15.454 -6.293 15.243 1.00 0.00 C ATOM 1398 CG ASP A 107 14.466 -5.159 15.440 1.00 0.00 C ATOM 1399 OD1 ASP A 107 14.843 -4.137 16.049 1.00 0.00 O ATOM 1400 OD2 ASP A 107 13.303 -5.297 15.005 1.00 0.00 O ATOM 0 H ASP A 107 15.402 -7.081 12.518 1.00 0.00 H new ATOM 0 HA ASP A 107 16.858 -5.099 14.179 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.904 -7.223 15.099 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.047 -6.410 16.150 1.00 0.00 H new ATOM 1405 N PRO A 108 18.516 -7.100 14.817 1.00 0.00 N ATOM 1406 CA PRO A 108 19.624 -8.070 14.792 1.00 0.00 C ATOM 1407 C PRO A 108 19.200 -9.494 14.414 1.00 0.00 C ATOM 1408 O PRO A 108 19.741 -10.086 13.482 1.00 0.00 O ATOM 1409 CB PRO A 108 20.109 -8.017 16.232 1.00 0.00 C ATOM 1410 CG PRO A 108 19.935 -6.588 16.624 1.00 0.00 C ATOM 1411 CD PRO A 108 18.756 -6.059 15.837 1.00 0.00 C ATOM 0 HA PRO A 108 20.371 -7.822 14.037 1.00 0.00 H new ATOM 0 HB2 PRO A 108 19.527 -8.680 16.873 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.150 -8.328 16.313 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.755 -6.500 17.695 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.835 -6.014 16.404 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.883 -5.914 16.473 1.00 0.00 H new ATOM 0 HD3 PRO A 108 18.981 -5.095 15.380 1.00 0.00 H new ATOM 1419 N LYS A 109 18.201 -10.006 15.119 1.00 0.00 N ATOM 1420 CA LYS A 109 17.683 -11.356 14.893 1.00 0.00 C ATOM 1421 C LYS A 109 17.100 -11.519 13.487 1.00 0.00 C ATOM 1422 O LYS A 109 17.416 -12.466 12.769 1.00 0.00 O ATOM 1423 CB LYS A 109 16.600 -11.664 15.926 1.00 0.00 C ATOM 1424 CG LYS A 109 15.476 -10.634 15.960 1.00 0.00 C ATOM 1425 CD LYS A 109 14.434 -10.971 17.017 1.00 0.00 C ATOM 1426 CE LYS A 109 13.756 -12.305 16.741 1.00 0.00 C ATOM 1427 NZ LYS A 109 12.729 -12.625 17.764 1.00 0.00 N ATOM 0 H LYS A 109 17.724 -9.500 15.865 1.00 0.00 H new ATOM 0 HA LYS A 109 18.516 -12.052 14.993 1.00 0.00 H new ATOM 0 HB2 LYS A 109 16.176 -12.645 15.713 1.00 0.00 H new ATOM 0 HB3 LYS A 109 17.058 -11.722 16.913 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.893 -9.647 16.162 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.999 -10.584 14.981 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.909 -11.001 17.998 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.683 -10.182 17.051 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.291 -12.279 15.755 1.00 0.00 H new ATOM 0 HE3 LYS A 109 14.506 -13.096 16.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 12.290 -13.541 17.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.177 -12.675 18.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.000 -11.884 17.768 1.00 0.00 H new ATOM 1441 N GLN A 110 16.263 -10.572 13.104 1.00 0.00 N ATOM 1442 CA GLN A 110 15.527 -10.629 11.858 1.00 0.00 C ATOM 1443 C GLN A 110 16.407 -10.169 10.709 1.00 0.00 C ATOM 1444 O GLN A 110 16.151 -10.459 9.544 1.00 0.00 O ATOM 1445 CB GLN A 110 14.303 -9.732 11.960 1.00 0.00 C ATOM 1446 CG GLN A 110 13.195 -10.271 12.835 1.00 0.00 C ATOM 1447 CD GLN A 110 12.701 -11.633 12.397 1.00 0.00 C ATOM 1448 OE1 GLN A 110 12.768 -11.985 11.219 1.00 0.00 O ATOM 1449 NE2 GLN A 110 12.169 -12.396 13.336 1.00 0.00 N ATOM 0 H GLN A 110 16.075 -9.735 13.655 1.00 0.00 H new ATOM 0 HA GLN A 110 15.215 -11.656 11.670 1.00 0.00 H new ATOM 0 HB2 GLN A 110 14.612 -8.761 12.346 1.00 0.00 H new ATOM 0 HB3 GLN A 110 13.907 -9.565 10.958 1.00 0.00 H new ATOM 0 HG2 GLN A 110 13.550 -10.334 13.864 1.00 0.00 H new ATOM 0 HG3 GLN A 110 12.361 -9.569 12.828 1.00 0.00 H new ATOM 0 HE21 GLN A 110 12.133 -12.067 14.301 1.00 0.00 H new ATOM 0 HE22 GLN A 110 11.795 -13.314 13.096 1.00 0.00 H new ATOM 1458 N LEU A 111 17.452 -9.456 11.066 1.00 0.00 N ATOM 1459 CA LEU A 111 18.357 -8.873 10.113 1.00 0.00 C ATOM 1460 C LEU A 111 19.251 -9.963 9.540 1.00 0.00 C ATOM 1461 O LEU A 111 19.356 -10.116 8.327 1.00 0.00 O ATOM 1462 CB LEU A 111 19.165 -7.768 10.819 1.00 0.00 C ATOM 1463 CG LEU A 111 20.139 -6.959 9.950 1.00 0.00 C ATOM 1464 CD1 LEU A 111 21.434 -7.723 9.719 1.00 0.00 C ATOM 1465 CD2 LEU A 111 19.488 -6.596 8.625 1.00 0.00 C ATOM 0 H LEU A 111 17.696 -9.265 12.038 1.00 0.00 H new ATOM 0 HA LEU A 111 17.818 -8.421 9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 111 18.461 -7.073 11.277 1.00 0.00 H new ATOM 0 HB3 LEU A 111 19.733 -8.227 11.628 1.00 0.00 H new ATOM 0 HG LEU A 111 20.385 -6.040 10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 111 22.104 -7.125 9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 111 21.911 -7.928 10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 111 21.216 -8.664 9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 111 20.190 -6.023 8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 111 19.211 -7.507 8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.596 -5.998 8.810 1.00 0.00 H new ATOM 1477 N GLU A 112 19.865 -10.738 10.426 1.00 0.00 N ATOM 1478 CA GLU A 112 20.740 -11.825 10.016 1.00 0.00 C ATOM 1479 C GLU A 112 19.936 -12.969 9.403 1.00 0.00 C ATOM 1480 O GLU A 112 20.395 -13.634 8.473 1.00 0.00 O ATOM 1481 CB GLU A 112 21.535 -12.347 11.210 1.00 0.00 C ATOM 1482 CG GLU A 112 20.644 -12.813 12.344 1.00 0.00 C ATOM 1483 CD GLU A 112 21.335 -13.775 13.283 1.00 0.00 C ATOM 1484 OE1 GLU A 112 22.056 -13.316 14.191 1.00 0.00 O ATOM 1485 OE2 GLU A 112 21.155 -14.999 13.124 1.00 0.00 O ATOM 0 H GLU A 112 19.771 -10.632 11.436 1.00 0.00 H new ATOM 0 HA GLU A 112 21.428 -11.436 9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 112 22.168 -13.173 10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.197 -11.561 11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 112 20.301 -11.946 12.909 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.758 -13.293 11.928 1.00 0.00 H new ATOM 1492 N VAL A 113 18.730 -13.189 9.925 1.00 0.00 N ATOM 1493 CA VAL A 113 17.897 -14.292 9.473 1.00 0.00 C ATOM 1494 C VAL A 113 17.491 -14.086 8.016 1.00 0.00 C ATOM 1495 O VAL A 113 17.451 -15.034 7.235 1.00 0.00 O ATOM 1496 CB VAL A 113 16.651 -14.478 10.371 1.00 0.00 C ATOM 1497 CG1 VAL A 113 15.553 -13.499 10.021 1.00 0.00 C ATOM 1498 CG2 VAL A 113 16.134 -15.899 10.292 1.00 0.00 C ATOM 0 H VAL A 113 18.313 -12.617 10.659 1.00 0.00 H new ATOM 0 HA VAL A 113 18.486 -15.206 9.548 1.00 0.00 H new ATOM 0 HB VAL A 113 16.962 -14.275 11.396 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.697 -13.664 10.675 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.919 -12.480 10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 113 15.251 -13.646 8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.258 -16.004 10.932 1.00 0.00 H new ATOM 0 HG22 VAL A 113 15.861 -16.130 9.262 1.00 0.00 H new ATOM 0 HG23 VAL A 113 16.911 -16.588 10.624 1.00 0.00 H new ATOM 1508 N LEU A 114 17.210 -12.836 7.659 1.00 0.00 N ATOM 1509 CA LEU A 114 16.904 -12.471 6.288 1.00 0.00 C ATOM 1510 C LEU A 114 18.185 -12.317 5.478 1.00 0.00 C ATOM 1511 O LEU A 114 18.199 -12.535 4.268 1.00 0.00 O ATOM 1512 CB LEU A 114 16.113 -11.163 6.256 1.00 0.00 C ATOM 1513 CG LEU A 114 14.721 -11.211 6.896 1.00 0.00 C ATOM 1514 CD1 LEU A 114 14.060 -9.844 6.831 1.00 0.00 C ATOM 1515 CD2 LEU A 114 13.849 -12.257 6.216 1.00 0.00 C ATOM 0 H LEU A 114 17.189 -12.053 8.313 1.00 0.00 H new ATOM 0 HA LEU A 114 16.302 -13.265 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 114 16.698 -10.394 6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 114 16.004 -10.851 5.217 1.00 0.00 H new ATOM 0 HG LEU A 114 14.836 -11.492 7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 114 13.072 -9.895 7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 114 14.672 -9.118 7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 114 13.961 -9.537 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 114 12.866 -12.273 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.741 -12.010 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 114 14.314 -13.238 6.314 1.00 0.00 H new ATOM 1527 N PHE A 115 19.262 -11.958 6.167 1.00 0.00 N ATOM 1528 CA PHE A 115 20.550 -11.703 5.529 1.00 0.00 C ATOM 1529 C PHE A 115 21.047 -12.924 4.767 1.00 0.00 C ATOM 1530 O PHE A 115 21.509 -12.812 3.629 1.00 0.00 O ATOM 1531 CB PHE A 115 21.579 -11.324 6.591 1.00 0.00 C ATOM 1532 CG PHE A 115 22.905 -10.877 6.039 1.00 0.00 C ATOM 1533 CD1 PHE A 115 23.130 -9.542 5.750 1.00 0.00 C ATOM 1534 CD2 PHE A 115 23.927 -11.788 5.817 1.00 0.00 C ATOM 1535 CE1 PHE A 115 24.346 -9.123 5.249 1.00 0.00 C ATOM 1536 CE2 PHE A 115 25.145 -11.373 5.315 1.00 0.00 C ATOM 1537 CZ PHE A 115 25.354 -10.041 5.031 1.00 0.00 C ATOM 0 H PHE A 115 19.268 -11.836 7.180 1.00 0.00 H new ATOM 0 HA PHE A 115 20.417 -10.886 4.820 1.00 0.00 H new ATOM 0 HB2 PHE A 115 21.168 -10.525 7.209 1.00 0.00 H new ATOM 0 HB3 PHE A 115 21.741 -12.181 7.245 1.00 0.00 H new ATOM 0 HD1 PHE A 115 22.345 -8.820 5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 115 23.769 -12.833 6.039 1.00 0.00 H new ATOM 0 HE1 PHE A 115 24.509 -8.078 5.028 1.00 0.00 H new ATOM 0 HE2 PHE A 115 25.933 -12.092 5.145 1.00 0.00 H new ATOM 0 HZ PHE A 115 26.306 -9.715 4.638 1.00 0.00 H new ATOM 1547 N GLN A 116 20.960 -14.081 5.403 1.00 0.00 N ATOM 1548 CA GLN A 116 21.502 -15.305 4.833 1.00 0.00 C ATOM 1549 C GLN A 116 20.737 -15.730 3.587 1.00 0.00 C ATOM 1550 O GLN A 116 21.315 -16.293 2.655 1.00 0.00 O ATOM 1551 CB GLN A 116 21.490 -16.428 5.870 1.00 0.00 C ATOM 1552 CG GLN A 116 22.324 -16.116 7.102 1.00 0.00 C ATOM 1553 CD GLN A 116 23.775 -15.821 6.770 1.00 0.00 C ATOM 1554 OE1 GLN A 116 24.296 -16.463 5.736 1.00 0.00 O flip ATOM 1555 NE2 GLN A 116 24.429 -15.028 7.448 1.00 0.00 N flip ATOM 0 H GLN A 116 20.519 -14.199 6.315 1.00 0.00 H new ATOM 0 HA GLN A 116 22.532 -15.104 4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 116 20.461 -16.621 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 116 21.863 -17.343 5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 116 21.893 -15.259 7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 116 22.278 -16.960 7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 116 23.993 -14.552 8.238 1.00 0.00 H new ATOM 0 HE22 GLN A 116 25.407 -14.847 7.220 1.00 0.00 H new ATOM 1564 N GLY A 117 19.443 -15.452 3.575 1.00 0.00 N ATOM 1565 CA GLY A 117 18.624 -15.793 2.431 1.00 0.00 C ATOM 1566 C GLY A 117 17.693 -16.936 2.749 1.00 0.00 C ATOM 1567 O GLY A 117 17.795 -18.005 2.153 1.00 0.00 O ATOM 0 H GLY A 117 18.944 -14.995 4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 117 18.044 -14.923 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 117 19.263 -16.064 1.591 1.00 0.00 H new ATOM 1571 N PRO A 118 16.780 -16.732 3.711 1.00 0.00 N ATOM 1572 CA PRO A 118 15.911 -17.781 4.228 1.00 0.00 C ATOM 1573 C PRO A 118 15.074 -18.454 3.139 1.00 0.00 C ATOM 1574 O PRO A 118 15.301 -19.615 2.797 1.00 0.00 O ATOM 1575 CB PRO A 118 15.011 -17.045 5.228 1.00 0.00 C ATOM 1576 CG PRO A 118 15.129 -15.613 4.860 1.00 0.00 C ATOM 1577 CD PRO A 118 16.536 -15.463 4.391 1.00 0.00 C ATOM 0 HA PRO A 118 16.486 -18.594 4.672 1.00 0.00 H new ATOM 0 HB2 PRO A 118 13.979 -17.388 5.158 1.00 0.00 H new ATOM 0 HB3 PRO A 118 15.335 -17.218 6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.419 -15.344 4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.924 -14.966 5.713 1.00 0.00 H new ATOM 0 HD2 PRO A 118 16.651 -14.613 3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 118 17.226 -15.308 5.221 1.00 0.00 H new ATOM 1585 N GLN A 119 14.113 -17.711 2.602 1.00 0.00 N ATOM 1586 CA GLN A 119 13.245 -18.195 1.537 1.00 0.00 C ATOM 1587 C GLN A 119 12.920 -17.052 0.588 1.00 0.00 C ATOM 1588 O GLN A 119 13.515 -16.939 -0.483 1.00 0.00 O ATOM 1589 CB GLN A 119 11.945 -18.773 2.110 1.00 0.00 C ATOM 1590 CG GLN A 119 12.116 -20.086 2.856 1.00 0.00 C ATOM 1591 CD GLN A 119 12.404 -21.255 1.935 1.00 0.00 C ATOM 1592 OE1 GLN A 119 11.487 -21.929 1.462 1.00 0.00 O ATOM 1593 NE2 GLN A 119 13.675 -21.505 1.670 1.00 0.00 N ATOM 0 H GLN A 119 13.914 -16.754 2.894 1.00 0.00 H new ATOM 0 HA GLN A 119 13.766 -18.987 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.503 -18.041 2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.238 -18.922 1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 119 12.930 -19.987 3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 119 11.211 -20.294 3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 119 14.406 -20.924 2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 119 13.925 -22.279 1.054 1.00 0.00 H new ATOM 1602 N PHE A 120 11.986 -16.201 1.023 1.00 0.00 N ATOM 1603 CA PHE A 120 11.557 -15.021 0.274 1.00 0.00 C ATOM 1604 C PHE A 120 11.318 -15.346 -1.202 1.00 0.00 C ATOM 1605 O PHE A 120 12.103 -14.980 -2.078 1.00 0.00 O ATOM 1606 CB PHE A 120 12.580 -13.890 0.438 1.00 0.00 C ATOM 1607 CG PHE A 120 12.142 -12.571 -0.140 1.00 0.00 C ATOM 1608 CD1 PHE A 120 10.815 -12.172 -0.077 1.00 0.00 C ATOM 1609 CD2 PHE A 120 13.057 -11.733 -0.754 1.00 0.00 C ATOM 1610 CE1 PHE A 120 10.416 -10.964 -0.612 1.00 0.00 C ATOM 1611 CE2 PHE A 120 12.663 -10.525 -1.291 1.00 0.00 C ATOM 1612 CZ PHE A 120 11.342 -10.140 -1.220 1.00 0.00 C ATOM 0 H PHE A 120 11.503 -16.315 1.914 1.00 0.00 H new ATOM 0 HA PHE A 120 10.604 -14.687 0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 120 12.790 -13.757 1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 120 13.514 -14.189 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 120 10.086 -12.814 0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 120 14.094 -12.029 -0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.380 -10.663 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 120 13.389 -9.882 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.031 -9.195 -1.640 1.00 0.00 H new ATOM 1622 N THR A 121 10.229 -16.048 -1.465 1.00 0.00 N ATOM 1623 CA THR A 121 9.863 -16.407 -2.823 1.00 0.00 C ATOM 1624 C THR A 121 9.027 -15.307 -3.468 1.00 0.00 C ATOM 1625 O THR A 121 7.955 -14.955 -2.972 1.00 0.00 O ATOM 1626 CB THR A 121 9.086 -17.737 -2.856 1.00 0.00 C ATOM 1627 OG1 THR A 121 8.072 -17.742 -1.838 1.00 0.00 O ATOM 1628 CG2 THR A 121 10.026 -18.916 -2.650 1.00 0.00 C ATOM 0 H THR A 121 9.581 -16.382 -0.752 1.00 0.00 H new ATOM 0 HA THR A 121 10.786 -16.529 -3.389 1.00 0.00 H new ATOM 0 HB THR A 121 8.615 -17.833 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A 121 7.610 -16.878 -1.832 1.00 0.00 H new ATOM 0 HG21 THR A 121 9.456 -19.845 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 121 10.775 -18.927 -3.442 1.00 0.00 H new ATOM 0 HG23 THR A 121 10.521 -18.822 -1.683 1.00 0.00 H new ATOM 1636 N LEU A 122 9.532 -14.756 -4.562 1.00 0.00 N ATOM 1637 CA LEU A 122 8.833 -13.702 -5.283 1.00 0.00 C ATOM 1638 C LEU A 122 8.010 -14.282 -6.422 1.00 0.00 C ATOM 1639 O LEU A 122 8.456 -15.197 -7.120 1.00 0.00 O ATOM 1640 CB LEU A 122 9.829 -12.680 -5.835 1.00 0.00 C ATOM 1641 CG LEU A 122 10.501 -11.787 -4.793 1.00 0.00 C ATOM 1642 CD1 LEU A 122 11.573 -10.927 -5.444 1.00 0.00 C ATOM 1643 CD2 LEU A 122 9.467 -10.912 -4.101 1.00 0.00 C ATOM 0 H LEU A 122 10.427 -15.023 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 122 8.162 -13.204 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.604 -13.214 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.310 -12.044 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 122 10.975 -12.423 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 122 12.042 -10.297 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 122 12.327 -11.569 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.119 -10.298 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 122 9.960 -10.281 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.969 -10.284 -4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.729 -11.543 -3.605 1.00 0.00 H new ATOM 1655 N ARG A 123 6.805 -13.764 -6.595 1.00 0.00 N ATOM 1656 CA ARG A 123 5.951 -14.180 -7.692 1.00 0.00 C ATOM 1657 C ARG A 123 5.092 -13.019 -8.178 1.00 0.00 C ATOM 1658 O ARG A 123 4.218 -12.540 -7.453 1.00 0.00 O ATOM 1659 CB ARG A 123 5.066 -15.349 -7.263 1.00 0.00 C ATOM 1660 CG ARG A 123 4.227 -15.927 -8.390 1.00 0.00 C ATOM 1661 CD ARG A 123 3.495 -17.178 -7.942 1.00 0.00 C ATOM 1662 NE ARG A 123 4.422 -18.212 -7.482 1.00 0.00 N ATOM 1663 CZ ARG A 123 4.111 -19.148 -6.588 1.00 0.00 C ATOM 1664 NH1 ARG A 123 2.879 -19.221 -6.101 1.00 0.00 N ATOM 1665 NH2 ARG A 123 5.027 -20.024 -6.192 1.00 0.00 N ATOM 0 H ARG A 123 6.397 -13.053 -5.988 1.00 0.00 H new ATOM 0 HA ARG A 123 6.587 -14.505 -8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.696 -16.137 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 123 4.404 -15.017 -6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 123 3.507 -15.183 -8.729 1.00 0.00 H new ATOM 0 HG3 ARG A 123 4.867 -16.162 -9.240 1.00 0.00 H new ATOM 0 HD2 ARG A 123 2.803 -16.926 -7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 123 2.898 -17.566 -8.768 1.00 0.00 H new ATOM 0 HE ARG A 123 5.365 -18.216 -7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 123 2.168 -18.559 -6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 123 2.643 -19.939 -5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 123 5.972 -19.981 -6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 123 4.785 -20.740 -5.507 1.00 0.00 H new ATOM 1679 N HIS A 124 5.384 -12.561 -9.395 1.00 0.00 N ATOM 1680 CA HIS A 124 4.604 -11.527 -10.079 1.00 0.00 C ATOM 1681 C HIS A 124 4.813 -10.141 -9.460 1.00 0.00 C ATOM 1682 O HIS A 124 4.667 -9.945 -8.254 1.00 0.00 O ATOM 1683 CB HIS A 124 3.113 -11.894 -10.094 1.00 0.00 C ATOM 1684 CG HIS A 124 2.264 -10.961 -10.905 1.00 0.00 C ATOM 1685 ND1 HIS A 124 2.462 -10.740 -12.251 1.00 0.00 N ATOM 1686 CD2 HIS A 124 1.207 -10.192 -10.552 1.00 0.00 C ATOM 1687 CE1 HIS A 124 1.566 -9.878 -12.688 1.00 0.00 C ATOM 1688 NE2 HIS A 124 0.791 -9.531 -11.679 1.00 0.00 N ATOM 0 H HIS A 124 6.177 -12.900 -9.940 1.00 0.00 H new ATOM 0 HA HIS A 124 4.964 -11.479 -11.107 1.00 0.00 H new ATOM 0 HB2 HIS A 124 3.002 -12.905 -10.487 1.00 0.00 H new ATOM 0 HB3 HIS A 124 2.742 -11.908 -9.069 1.00 0.00 H new ATOM 0 HD2 HIS A 124 0.772 -10.114 -9.566 1.00 0.00 H new ATOM 0 HE1 HIS A 124 1.481 -9.516 -13.702 1.00 0.00 H new ATOM 0 HE2 HIS A 124 0.009 -8.877 -11.729 1.00 0.00 H new ATOM 1697 N TRP A 125 5.173 -9.180 -10.299 1.00 0.00 N ATOM 1698 CA TRP A 125 5.321 -7.798 -9.862 1.00 0.00 C ATOM 1699 C TRP A 125 3.944 -7.198 -9.606 1.00 0.00 C ATOM 1700 O TRP A 125 3.012 -7.419 -10.383 1.00 0.00 O ATOM 1701 CB TRP A 125 6.091 -6.995 -10.911 1.00 0.00 C ATOM 1702 CG TRP A 125 7.450 -7.567 -11.185 1.00 0.00 C ATOM 1703 CD1 TRP A 125 7.841 -8.260 -12.294 1.00 0.00 C ATOM 1704 CD2 TRP A 125 8.592 -7.515 -10.321 1.00 0.00 C ATOM 1705 NE1 TRP A 125 9.157 -8.634 -12.178 1.00 0.00 N ATOM 1706 CE2 TRP A 125 9.641 -8.188 -10.976 1.00 0.00 C ATOM 1707 CE3 TRP A 125 8.830 -6.959 -9.062 1.00 0.00 C ATOM 1708 CZ2 TRP A 125 10.905 -8.323 -10.411 1.00 0.00 C ATOM 1709 CZ3 TRP A 125 10.087 -7.095 -8.501 1.00 0.00 C ATOM 1710 CH2 TRP A 125 11.112 -7.771 -9.177 1.00 0.00 C ATOM 0 H TRP A 125 5.368 -9.332 -11.288 1.00 0.00 H new ATOM 0 HA TRP A 125 5.891 -7.764 -8.933 1.00 0.00 H new ATOM 0 HB2 TRP A 125 5.517 -6.969 -11.837 1.00 0.00 H new ATOM 0 HB3 TRP A 125 6.195 -5.965 -10.571 1.00 0.00 H new ATOM 0 HD1 TRP A 125 7.207 -8.482 -13.140 1.00 0.00 H new ATOM 0 HE1 TRP A 125 9.688 -9.158 -12.873 1.00 0.00 H new ATOM 0 HE3 TRP A 125 8.047 -6.433 -8.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 11.696 -8.846 -10.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.282 -6.673 -7.526 1.00 0.00 H new ATOM 0 HH2 TRP A 125 12.084 -7.858 -8.714 1.00 0.00 H new ATOM 1721 N LEU A 126 3.809 -6.451 -8.518 1.00 0.00 N ATOM 1722 CA LEU A 126 2.490 -6.060 -8.045 1.00 0.00 C ATOM 1723 C LEU A 126 1.992 -4.762 -8.578 1.00 0.00 C ATOM 1724 O LEU A 126 2.719 -3.949 -9.132 1.00 0.00 O ATOM 1725 CB LEU A 126 2.415 -5.959 -6.534 1.00 0.00 C ATOM 1726 CG LEU A 126 2.091 -7.249 -5.836 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.913 -7.031 -4.344 1.00 0.00 C ATOM 1728 CD2 LEU A 126 0.862 -7.917 -6.439 1.00 0.00 C ATOM 0 H LEU A 126 4.586 -6.108 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 126 1.861 -6.866 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.369 -5.589 -6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.660 -5.219 -6.270 1.00 0.00 H new ATOM 0 HG LEU A 126 2.936 -7.922 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.679 -7.981 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.834 -6.628 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.098 -6.328 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.657 -8.847 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.004 -7.251 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.044 -8.131 -7.492 1.00 0.00 H new ATOM 1740 N LYS A 127 0.723 -4.597 -8.301 1.00 0.00 N ATOM 1741 CA LYS A 127 -0.032 -3.397 -8.601 1.00 0.00 C ATOM 1742 C LYS A 127 -1.346 -3.431 -7.832 1.00 0.00 C ATOM 1743 O LYS A 127 -2.372 -3.883 -8.339 1.00 0.00 O ATOM 1744 CB LYS A 127 -0.295 -3.236 -10.106 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.878 -4.467 -10.789 1.00 0.00 C ATOM 1746 CD LYS A 127 -1.764 -4.104 -11.983 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.026 -3.322 -13.067 1.00 0.00 C ATOM 1748 NZ LYS A 127 -0.919 -1.868 -12.755 1.00 0.00 N ATOM 0 H LYS A 127 0.164 -5.317 -7.844 1.00 0.00 H new ATOM 0 HA LYS A 127 0.561 -2.536 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.977 -2.399 -10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.642 -2.974 -10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.066 -5.112 -11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.461 -5.038 -10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -2.170 -5.018 -12.417 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -2.611 -3.514 -11.632 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.026 -3.737 -13.192 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.545 -3.448 -14.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.968 -1.319 -13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.702 -1.589 -12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.013 -1.681 -12.280 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.311 -2.973 -6.596 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.491 -3.014 -5.755 1.00 0.00 C ATOM 1764 C VAL A 128 -2.831 -1.621 -5.257 1.00 0.00 C ATOM 1765 O VAL A 128 -2.290 -0.637 -5.796 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.345 -3.971 -4.557 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.454 -3.382 -3.487 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -3.719 -4.325 -4.014 1.00 0.00 C ATOM 1769 OXT VAL A 128 -3.668 -1.514 -4.360 1.00 0.00 O ATOM 0 H VAL A 128 -0.484 -2.571 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.300 -3.398 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.862 -4.888 -4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.372 -4.082 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.464 -3.193 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.883 -2.445 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.612 -5.002 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.228 -3.417 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.305 -4.810 -4.795 1.00 0.00 H new TER 1779 VAL A 128