USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 785 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 89 ASN : amide:sc= -6.95! C(o=-12!,f=-18!) USER MOD Set 1.2: A 108 SER OG : rot -90:sc= -5.22! USER MOD Set 2.1: A 31 TYR OH : rot 15:sc= -0.246 USER MOD Set 2.2: A 55 ASN : amide:sc= 0.707 K(o=0.46,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 20:sc= 0.204 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00262 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -52:sc= 0.303 USER MOD Single : A 18 SER OG : rot -114:sc= 0.995 USER MOD Single : A 19 GLN : amide:sc= -0.0984 K(o=-0.098,f=-1.2!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 27 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-4.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.5!) USER MOD Single : A 48 ASN : amide:sc= -0.0327 X(o=-0.033,f=0.15) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -3.49 K(o=-3.5,f=-7.8!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -83:sc= -0.0964 USER MOD Single : A 66 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.589) USER MOD Single : A 67 GLN : amide:sc=-0.00173 X(o=-0.0017,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= -0.0152 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 1.18 (180deg=0.546!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0847 K(o=-0.085,f=-0.64) USER MOD Single : A 106 GLN : amide:sc= -0.0507 X(o=-0.051,f=-0.22) USER MOD Single : A 107 ASN : amide:sc= -12.1! C(o=-12!,f=-21!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 115 SER OG : rot -140:sc= -1.35 USER MOD Single : A 117 MET CE :methyl -108:sc= -0.462 (180deg=-2.2!) USER MOD Single : A 119 LYS NZ :NH3+ -137:sc=-0.00964 (180deg=-0.128) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 22:sc=0.000753 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.080 -4.773 18.513 1.00 0.00 N ATOM 2 CA GLY A 1 -17.273 -5.560 18.250 1.00 0.00 C ATOM 3 C GLY A 1 -17.440 -6.669 19.290 1.00 0.00 C ATOM 4 O GLY A 1 -16.509 -7.432 19.544 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.990 -4.028 17.793 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.152 -4.338 19.455 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.243 -5.389 18.479 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.150 -4.912 18.260 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.212 -5.998 17.254 1.00 0.00 H new ATOM 8 N SER A 2 -18.633 -6.723 19.865 1.00 0.00 N ATOM 9 CA SER A 2 -18.933 -7.726 20.873 1.00 0.00 C ATOM 10 C SER A 2 -19.700 -8.890 20.240 1.00 0.00 C ATOM 11 O SER A 2 -20.921 -8.968 20.352 1.00 0.00 O ATOM 12 CB SER A 2 -19.740 -7.124 22.026 1.00 0.00 C ATOM 13 OG SER A 2 -19.054 -6.041 22.647 1.00 0.00 O ATOM 0 H SER A 2 -19.403 -6.089 19.652 1.00 0.00 H new ATOM 0 HA SER A 2 -17.991 -8.096 21.278 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.703 -6.777 21.652 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.945 -7.896 22.767 1.00 0.00 H new ATOM 0 HG SER A 2 -19.601 -5.682 23.376 1.00 0.00 H new ATOM 18 N SER A 3 -18.948 -9.765 19.589 1.00 0.00 N ATOM 19 CA SER A 3 -19.540 -10.922 18.939 1.00 0.00 C ATOM 20 C SER A 3 -18.448 -11.919 18.547 1.00 0.00 C ATOM 21 O SER A 3 -17.472 -11.551 17.895 1.00 0.00 O ATOM 22 CB SER A 3 -20.347 -10.507 17.707 1.00 0.00 C ATOM 23 OG SER A 3 -19.506 -10.125 16.622 1.00 0.00 O ATOM 0 H SER A 3 -17.934 -9.696 19.498 1.00 0.00 H new ATOM 0 HA SER A 3 -20.221 -11.399 19.644 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.986 -11.334 17.397 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.004 -9.677 17.967 1.00 0.00 H new ATOM 0 HG SER A 3 -18.609 -10.495 16.758 1.00 0.00 H new ATOM 28 N GLY A 4 -18.649 -13.162 18.960 1.00 0.00 N ATOM 29 CA GLY A 4 -17.694 -14.214 18.661 1.00 0.00 C ATOM 30 C GLY A 4 -17.896 -14.751 17.243 1.00 0.00 C ATOM 31 O GLY A 4 -18.707 -15.649 17.025 1.00 0.00 O ATOM 0 H GLY A 4 -19.460 -13.464 19.500 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.679 -13.830 18.767 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.804 -15.026 19.380 1.00 0.00 H new ATOM 35 N SER A 5 -17.143 -14.179 16.316 1.00 0.00 N ATOM 36 CA SER A 5 -17.229 -14.588 14.924 1.00 0.00 C ATOM 37 C SER A 5 -16.009 -14.080 14.152 1.00 0.00 C ATOM 38 O SER A 5 -15.562 -12.955 14.364 1.00 0.00 O ATOM 39 CB SER A 5 -18.518 -14.074 14.278 1.00 0.00 C ATOM 40 OG SER A 5 -18.546 -14.321 12.875 1.00 0.00 O ATOM 0 H SER A 5 -16.470 -13.435 16.501 1.00 0.00 H new ATOM 0 HA SER A 5 -17.245 -15.677 14.888 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.376 -14.555 14.748 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.613 -13.003 14.460 1.00 0.00 H new ATOM 0 HG SER A 5 -19.385 -13.980 12.500 1.00 0.00 H new ATOM 45 N SER A 6 -15.506 -14.936 13.275 1.00 0.00 N ATOM 46 CA SER A 6 -14.347 -14.589 12.471 1.00 0.00 C ATOM 47 C SER A 6 -14.204 -15.572 11.307 1.00 0.00 C ATOM 48 O SER A 6 -14.630 -16.721 11.404 1.00 0.00 O ATOM 49 CB SER A 6 -13.072 -14.581 13.317 1.00 0.00 C ATOM 50 OG SER A 6 -11.920 -14.255 12.545 1.00 0.00 O ATOM 0 H SER A 6 -15.880 -15.869 13.104 1.00 0.00 H new ATOM 0 HA SER A 6 -14.495 -13.584 12.075 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.180 -13.861 14.128 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.935 -15.560 13.776 1.00 0.00 H new ATOM 0 HG SER A 6 -11.128 -14.259 13.122 1.00 0.00 H new ATOM 55 N GLY A 7 -13.602 -15.082 10.233 1.00 0.00 N ATOM 56 CA GLY A 7 -13.398 -15.902 9.051 1.00 0.00 C ATOM 57 C GLY A 7 -13.600 -15.084 7.773 1.00 0.00 C ATOM 58 O GLY A 7 -14.636 -14.444 7.600 1.00 0.00 O ATOM 0 H GLY A 7 -13.249 -14.128 10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.392 -16.320 9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.093 -16.742 9.063 1.00 0.00 H new ATOM 62 N GLY A 8 -12.594 -15.133 6.913 1.00 0.00 N ATOM 63 CA GLY A 8 -12.649 -14.404 5.656 1.00 0.00 C ATOM 64 C GLY A 8 -11.512 -13.384 5.564 1.00 0.00 C ATOM 65 O GLY A 8 -10.428 -13.700 5.078 1.00 0.00 O ATOM 0 H GLY A 8 -11.737 -15.665 7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.583 -15.103 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.608 -13.894 5.569 1.00 0.00 H new ATOM 69 N PRO A 9 -11.807 -12.148 6.051 1.00 0.00 N ATOM 70 CA PRO A 9 -10.822 -11.081 6.029 1.00 0.00 C ATOM 71 C PRO A 9 -9.760 -11.293 7.109 1.00 0.00 C ATOM 72 O PRO A 9 -9.961 -12.071 8.040 1.00 0.00 O ATOM 73 CB PRO A 9 -11.623 -9.804 6.224 1.00 0.00 C ATOM 74 CG PRO A 9 -12.958 -10.234 6.810 1.00 0.00 C ATOM 75 CD PRO A 9 -13.081 -11.738 6.635 1.00 0.00 C ATOM 0 HA PRO A 9 -10.261 -11.045 5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.106 -9.117 6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.762 -9.282 5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.016 -9.967 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.778 -9.723 6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.257 -12.235 7.589 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.916 -11.994 5.983 1.00 0.00 H new ATOM 80 N LYS A 10 -8.651 -10.584 6.950 1.00 0.00 N ATOM 81 CA LYS A 10 -7.557 -10.683 7.902 1.00 0.00 C ATOM 82 C LYS A 10 -7.262 -9.298 8.479 1.00 0.00 C ATOM 83 O LYS A 10 -7.346 -8.295 7.772 1.00 0.00 O ATOM 84 CB LYS A 10 -6.343 -11.350 7.252 1.00 0.00 C ATOM 85 CG LYS A 10 -5.081 -11.124 8.087 1.00 0.00 C ATOM 86 CD LYS A 10 -5.074 -12.024 9.325 1.00 0.00 C ATOM 87 CE LYS A 10 -3.651 -12.466 9.674 1.00 0.00 C ATOM 88 NZ LYS A 10 -3.674 -13.508 10.725 1.00 0.00 N ATOM 0 H LYS A 10 -8.487 -9.939 6.177 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.835 -11.324 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.525 -12.419 7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.197 -10.949 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.198 -11.327 7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.025 -10.079 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.510 -11.490 10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.697 -12.900 9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.155 -12.851 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.071 -11.609 10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.700 -13.796 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.129 -13.129 11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.209 -14.332 10.385 1.00 0.00 H new ATOM 98 N THR A 11 -6.921 -9.286 9.761 1.00 0.00 N ATOM 99 CA THR A 11 -6.614 -8.041 10.442 1.00 0.00 C ATOM 100 C THR A 11 -5.284 -8.156 11.189 1.00 0.00 C ATOM 101 O THR A 11 -5.008 -9.176 11.820 1.00 0.00 O ATOM 102 CB THR A 11 -7.794 -7.695 11.352 1.00 0.00 C ATOM 103 OG1 THR A 11 -8.913 -7.660 10.469 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.710 -6.270 11.903 1.00 0.00 C ATOM 0 H THR A 11 -6.851 -10.120 10.345 1.00 0.00 H new ATOM 0 HA THR A 11 -6.483 -7.224 9.732 1.00 0.00 H new ATOM 0 HB THR A 11 -7.834 -8.403 12.180 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.723 -7.444 10.976 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.571 -6.076 12.542 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.794 -6.158 12.484 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.705 -5.560 11.076 1.00 0.00 H new ATOM 112 N VAL A 12 -4.495 -7.096 11.096 1.00 0.00 N ATOM 113 CA VAL A 12 -3.200 -7.067 11.755 1.00 0.00 C ATOM 114 C VAL A 12 -2.955 -5.668 12.324 1.00 0.00 C ATOM 115 O VAL A 12 -3.227 -4.669 11.661 1.00 0.00 O ATOM 116 CB VAL A 12 -2.107 -7.517 10.784 1.00 0.00 C ATOM 117 CG1 VAL A 12 -1.973 -9.042 10.779 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.373 -6.985 9.375 1.00 0.00 C ATOM 0 H VAL A 12 -4.727 -6.251 10.574 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.181 -7.767 12.590 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.161 -7.099 11.126 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.189 -9.336 10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.715 -9.388 11.780 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.919 -9.489 10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.581 -7.319 8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.332 -7.361 9.019 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.395 -5.895 9.396 1.00 0.00 H new ATOM 128 N THR A 13 -2.444 -5.642 13.546 1.00 0.00 N ATOM 129 CA THR A 13 -2.160 -4.382 14.212 1.00 0.00 C ATOM 130 C THR A 13 -0.649 -4.150 14.289 1.00 0.00 C ATOM 131 O THR A 13 0.131 -5.101 14.273 1.00 0.00 O ATOM 132 CB THR A 13 -2.842 -4.406 15.581 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.200 -4.720 15.287 1.00 0.00 O ATOM 134 CG2 THR A 13 -2.911 -3.020 16.225 1.00 0.00 C ATOM 0 H THR A 13 -2.219 -6.473 14.092 1.00 0.00 H new ATOM 0 HA THR A 13 -2.559 -3.538 13.650 1.00 0.00 H new ATOM 0 HB THR A 13 -2.305 -5.087 16.242 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.715 -4.758 16.120 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.404 -3.093 17.194 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.902 -2.631 16.360 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.476 -2.347 15.580 1.00 0.00 H new ATOM 142 N LEU A 14 -0.282 -2.880 14.374 1.00 0.00 N ATOM 143 CA LEU A 14 1.121 -2.510 14.456 1.00 0.00 C ATOM 144 C LEU A 14 1.294 -1.406 15.499 1.00 0.00 C ATOM 145 O LEU A 14 0.376 -0.620 15.735 1.00 0.00 O ATOM 146 CB LEU A 14 1.658 -2.138 13.072 1.00 0.00 C ATOM 147 CG LEU A 14 1.725 -3.277 12.051 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.497 -3.265 11.135 1.00 0.00 C ATOM 149 CD2 LEU A 14 3.031 -3.224 11.257 1.00 0.00 C ATOM 0 H LEU A 14 -0.932 -2.094 14.388 1.00 0.00 H new ATOM 0 HA LEU A 14 1.719 -3.358 14.788 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.032 -1.345 12.662 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.659 -1.724 13.192 1.00 0.00 H new ATOM 0 HG LEU A 14 1.715 -4.223 12.593 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.569 -4.084 10.419 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.405 -3.386 11.735 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.452 -2.317 10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.054 -4.044 10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.096 -2.274 10.726 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.876 -3.316 11.940 1.00 0.00 H new ATOM 160 N LYS A 15 2.476 -1.378 16.097 1.00 0.00 N ATOM 161 CA LYS A 15 2.781 -0.383 17.110 1.00 0.00 C ATOM 162 C LYS A 15 4.147 0.238 16.813 1.00 0.00 C ATOM 163 O LYS A 15 5.170 -0.441 16.883 1.00 0.00 O ATOM 164 CB LYS A 15 2.673 -0.992 18.510 1.00 0.00 C ATOM 165 CG LYS A 15 1.304 -1.639 18.720 1.00 0.00 C ATOM 166 CD LYS A 15 0.707 -1.233 20.070 1.00 0.00 C ATOM 167 CE LYS A 15 -0.097 -2.382 20.683 1.00 0.00 C ATOM 168 NZ LYS A 15 -0.287 -2.164 22.134 1.00 0.00 N ATOM 0 H LYS A 15 3.235 -2.030 15.899 1.00 0.00 H new ATOM 0 HA LYS A 15 2.050 0.425 17.082 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.457 -1.737 18.648 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.833 -0.218 19.261 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.630 -1.342 17.916 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.399 -2.724 18.672 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.506 -0.940 20.751 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.063 -0.363 19.940 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.066 -2.459 20.191 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.421 -3.326 20.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.834 -2.952 22.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.640 -2.113 22.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.801 -1.273 22.287 1.00 0.00 H new ATOM 178 N ARG A 16 4.120 1.523 16.488 1.00 0.00 N ATOM 179 CA ARG A 16 5.344 2.243 16.180 1.00 0.00 C ATOM 180 C ARG A 16 6.469 1.802 17.119 1.00 0.00 C ATOM 181 O ARG A 16 6.415 2.056 18.321 1.00 0.00 O ATOM 182 CB ARG A 16 5.142 3.754 16.313 1.00 0.00 C ATOM 183 CG ARG A 16 6.344 4.518 15.756 1.00 0.00 C ATOM 184 CD ARG A 16 5.900 5.585 14.752 1.00 0.00 C ATOM 185 NE ARG A 16 6.979 6.578 14.557 1.00 0.00 N ATOM 186 CZ ARG A 16 6.814 7.754 13.936 1.00 0.00 C ATOM 187 NH1 ARG A 16 5.613 8.090 13.448 1.00 0.00 N ATOM 188 NH2 ARG A 16 7.850 8.592 13.805 1.00 0.00 N ATOM 0 H ARG A 16 3.270 2.084 16.431 1.00 0.00 H new ATOM 0 HA ARG A 16 5.614 2.013 15.149 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.239 4.052 15.781 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.995 4.014 17.361 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.891 4.988 16.573 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.029 3.822 15.273 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.648 5.118 13.800 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.999 6.081 15.111 1.00 0.00 H new ATOM 0 HE ARG A 16 7.906 6.354 14.918 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.824 7.451 13.549 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.487 8.985 12.975 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.764 8.335 14.178 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.725 9.487 13.332 1.00 0.00 H new ATOM 199 N THR A 17 7.462 1.150 16.535 1.00 0.00 N ATOM 200 CA THR A 17 8.599 0.671 17.303 1.00 0.00 C ATOM 201 C THR A 17 9.843 0.582 16.418 1.00 0.00 C ATOM 202 O THR A 17 10.725 -0.240 16.660 1.00 0.00 O ATOM 203 CB THR A 17 8.210 -0.665 17.940 1.00 0.00 C ATOM 204 OG1 THR A 17 9.187 -0.862 18.957 1.00 0.00 O ATOM 205 CG2 THR A 17 8.416 -1.848 16.991 1.00 0.00 C ATOM 0 H THR A 17 7.504 0.941 15.537 1.00 0.00 H new ATOM 0 HA THR A 17 8.857 1.366 18.102 1.00 0.00 H new ATOM 0 HB THR A 17 7.166 -0.628 18.253 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.083 -0.763 18.573 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.125 -2.771 17.492 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.804 -1.710 16.100 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.466 -1.906 16.704 1.00 0.00 H new ATOM 213 N SER A 18 9.874 1.441 15.408 1.00 0.00 N ATOM 214 CA SER A 18 10.995 1.471 14.485 1.00 0.00 C ATOM 215 C SER A 18 10.870 2.672 13.546 1.00 0.00 C ATOM 216 O SER A 18 9.998 3.520 13.732 1.00 0.00 O ATOM 217 CB SER A 18 11.078 0.173 13.679 1.00 0.00 C ATOM 218 OG SER A 18 9.885 -0.075 12.942 1.00 0.00 O ATOM 0 H SER A 18 9.140 2.121 15.210 1.00 0.00 H new ATOM 0 HA SER A 18 11.913 1.567 15.065 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.923 0.226 12.993 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.267 -0.662 14.354 1.00 0.00 H new ATOM 0 HG SER A 18 9.442 -0.874 13.296 1.00 0.00 H new ATOM 223 N GLN A 19 11.752 2.705 12.558 1.00 0.00 N ATOM 224 CA GLN A 19 11.749 3.789 11.590 1.00 0.00 C ATOM 225 C GLN A 19 10.319 4.105 11.149 1.00 0.00 C ATOM 226 O GLN A 19 9.854 5.234 11.297 1.00 0.00 O ATOM 227 CB GLN A 19 12.633 3.451 10.387 1.00 0.00 C ATOM 228 CG GLN A 19 13.667 4.552 10.140 1.00 0.00 C ATOM 229 CD GLN A 19 14.899 4.355 11.026 1.00 0.00 C ATOM 230 OE1 GLN A 19 15.298 3.246 11.342 1.00 0.00 O ATOM 231 NE2 GLN A 19 15.478 5.490 11.406 1.00 0.00 N ATOM 0 H GLN A 19 12.473 1.999 12.407 1.00 0.00 H new ATOM 0 HA GLN A 19 12.164 4.677 12.067 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.141 2.502 10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.013 3.324 9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.964 4.548 9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 19 13.222 5.526 10.342 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.092 6.385 11.105 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.308 5.466 11.998 1.00 0.00 H new ATOM 238 N GLY A 20 9.661 3.086 10.615 1.00 0.00 N ATOM 239 CA GLY A 20 8.293 3.241 10.151 1.00 0.00 C ATOM 240 C GLY A 20 7.332 2.385 10.981 1.00 0.00 C ATOM 241 O GLY A 20 6.441 2.912 11.643 1.00 0.00 O ATOM 0 H GLY A 20 10.050 2.151 10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.000 4.289 10.215 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.227 2.955 9.101 1.00 0.00 H new ATOM 245 N PHE A 21 7.549 1.079 10.917 1.00 0.00 N ATOM 246 CA PHE A 21 6.714 0.146 11.654 1.00 0.00 C ATOM 247 C PHE A 21 7.345 -1.249 11.684 1.00 0.00 C ATOM 248 O PHE A 21 7.925 -1.650 12.691 1.00 0.00 O ATOM 249 CB PHE A 21 5.372 0.071 10.921 1.00 0.00 C ATOM 250 CG PHE A 21 4.325 1.057 11.439 1.00 0.00 C ATOM 251 CD1 PHE A 21 3.896 0.981 12.727 1.00 0.00 C ATOM 252 CD2 PHE A 21 3.821 2.012 10.611 1.00 0.00 C ATOM 253 CE1 PHE A 21 2.923 1.898 13.208 1.00 0.00 C ATOM 254 CE2 PHE A 21 2.849 2.928 11.090 1.00 0.00 C ATOM 255 CZ PHE A 21 2.420 2.851 12.379 1.00 0.00 C ATOM 0 H PHE A 21 8.290 0.646 10.367 1.00 0.00 H new ATOM 0 HA PHE A 21 6.597 0.484 12.683 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.538 0.257 9.860 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.978 -0.941 11.009 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.295 0.223 13.385 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.161 2.073 9.588 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.583 1.838 14.231 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.450 3.686 10.432 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.679 3.547 12.744 1.00 0.00 H new ATOM 264 N GLY A 22 7.208 -1.948 10.568 1.00 0.00 N ATOM 265 CA GLY A 22 7.757 -3.289 10.453 1.00 0.00 C ATOM 266 C GLY A 22 7.360 -3.932 9.122 1.00 0.00 C ATOM 267 O GLY A 22 7.087 -5.130 9.064 1.00 0.00 O ATOM 0 H GLY A 22 6.725 -1.612 9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.843 -3.249 10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.400 -3.904 11.279 1.00 0.00 H new ATOM 271 N PHE A 23 7.341 -3.106 8.085 1.00 0.00 N ATOM 272 CA PHE A 23 6.983 -3.581 6.759 1.00 0.00 C ATOM 273 C PHE A 23 7.098 -2.457 5.726 1.00 0.00 C ATOM 274 O PHE A 23 7.508 -1.345 6.056 1.00 0.00 O ATOM 275 CB PHE A 23 5.526 -4.045 6.829 1.00 0.00 C ATOM 276 CG PHE A 23 4.516 -2.905 6.977 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.231 -2.405 8.210 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.903 -2.390 5.878 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.294 -1.347 8.349 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.965 -1.334 6.016 1.00 0.00 C ATOM 281 CZ PHE A 23 2.681 -0.833 7.248 1.00 0.00 C ATOM 0 H PHE A 23 7.567 -2.113 8.136 1.00 0.00 H new ATOM 0 HA PHE A 23 7.653 -4.386 6.458 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.292 -4.610 5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.413 -4.728 7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.718 -2.813 9.084 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.130 -2.785 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.068 -0.951 9.328 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.477 -0.928 5.142 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.969 -0.027 7.353 1.00 0.00 H new ATOM 290 N THR A 24 6.730 -2.788 4.497 1.00 0.00 N ATOM 291 CA THR A 24 6.788 -1.820 3.414 1.00 0.00 C ATOM 292 C THR A 24 5.853 -2.236 2.277 1.00 0.00 C ATOM 293 O THR A 24 5.439 -3.392 2.200 1.00 0.00 O ATOM 294 CB THR A 24 8.250 -1.684 2.979 1.00 0.00 C ATOM 295 OG1 THR A 24 8.220 -0.672 1.977 1.00 0.00 O ATOM 296 CG2 THR A 24 8.760 -2.925 2.242 1.00 0.00 C ATOM 0 H THR A 24 6.391 -3.711 4.227 1.00 0.00 H new ATOM 0 HA THR A 24 6.438 -0.841 3.740 1.00 0.00 H new ATOM 0 HB THR A 24 8.874 -1.500 3.854 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.127 -0.518 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.801 -2.776 1.956 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.684 -3.794 2.896 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.158 -3.090 1.348 1.00 0.00 H new ATOM 304 N LEU A 25 5.547 -1.271 1.422 1.00 0.00 N ATOM 305 CA LEU A 25 4.668 -1.523 0.293 1.00 0.00 C ATOM 306 C LEU A 25 5.452 -1.341 -1.008 1.00 0.00 C ATOM 307 O LEU A 25 6.628 -0.984 -0.985 1.00 0.00 O ATOM 308 CB LEU A 25 3.416 -0.649 0.384 1.00 0.00 C ATOM 309 CG LEU A 25 2.575 -0.811 1.653 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.468 -2.283 2.055 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.126 0.055 2.788 1.00 0.00 C ATOM 0 H LEU A 25 5.892 -0.313 1.489 1.00 0.00 H new ATOM 0 HA LEU A 25 4.312 -2.553 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.719 0.395 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.783 -0.864 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 25 1.565 -0.461 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.866 -2.370 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.997 -2.847 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.465 -2.682 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.511 -0.078 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.151 -0.242 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.108 1.103 2.488 1.00 0.00 H new ATOM 322 N ARG A 26 4.768 -1.595 -2.114 1.00 0.00 N ATOM 323 CA ARG A 26 5.385 -1.464 -3.424 1.00 0.00 C ATOM 324 C ARG A 26 4.418 -0.794 -4.401 1.00 0.00 C ATOM 325 O ARG A 26 3.202 -0.918 -4.261 1.00 0.00 O ATOM 326 CB ARG A 26 5.794 -2.830 -3.978 1.00 0.00 C ATOM 327 CG ARG A 26 7.231 -2.798 -4.504 1.00 0.00 C ATOM 328 CD ARG A 26 7.475 -3.936 -5.499 1.00 0.00 C ATOM 329 NE ARG A 26 8.373 -3.476 -6.583 1.00 0.00 N ATOM 330 CZ ARG A 26 9.091 -4.295 -7.362 1.00 0.00 C ATOM 331 NH1 ARG A 26 9.021 -5.621 -7.184 1.00 0.00 N ATOM 332 NH2 ARG A 26 9.880 -3.788 -8.320 1.00 0.00 N ATOM 0 H ARG A 26 3.792 -1.891 -2.130 1.00 0.00 H new ATOM 0 HA ARG A 26 6.277 -0.848 -3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.705 -3.585 -3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.115 -3.120 -4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.424 -1.840 -4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.929 -2.882 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.918 -4.790 -4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.527 -4.273 -5.919 1.00 0.00 H new ATOM 0 HE ARG A 26 8.449 -2.472 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.421 -6.007 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.568 -6.245 -7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.933 -2.778 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.427 -4.412 -8.913 1.00 0.00 H new ATOM 343 N HIS A 27 4.994 -0.097 -5.370 1.00 0.00 N ATOM 344 CA HIS A 27 4.199 0.593 -6.371 1.00 0.00 C ATOM 345 C HIS A 27 5.065 1.630 -7.089 1.00 0.00 C ATOM 346 O HIS A 27 6.177 1.924 -6.653 1.00 0.00 O ATOM 347 CB HIS A 27 2.944 1.203 -5.741 1.00 0.00 C ATOM 348 CG HIS A 27 2.392 2.387 -6.498 1.00 0.00 C ATOM 349 ND1 HIS A 27 2.949 3.652 -6.421 1.00 0.00 N ATOM 350 CD2 HIS A 27 1.329 2.485 -7.347 1.00 0.00 C ATOM 351 CE1 HIS A 27 2.243 4.467 -7.192 1.00 0.00 C ATOM 352 NE2 HIS A 27 1.240 3.742 -7.765 1.00 0.00 N ATOM 0 H HIS A 27 6.003 0.004 -5.483 1.00 0.00 H new ATOM 0 HA HIS A 27 3.851 -0.119 -7.119 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.173 0.435 -5.675 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.175 1.512 -4.721 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.671 1.677 -7.631 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.429 5.520 -7.340 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.537 4.106 -8.409 1.00 0.00 H new ATOM 359 N PHE A 28 4.524 2.153 -8.179 1.00 0.00 N ATOM 360 CA PHE A 28 5.233 3.150 -8.962 1.00 0.00 C ATOM 361 C PHE A 28 4.474 3.478 -10.250 1.00 0.00 C ATOM 362 O PHE A 28 4.512 4.611 -10.725 1.00 0.00 O ATOM 363 CB PHE A 28 6.594 2.550 -9.324 1.00 0.00 C ATOM 364 CG PHE A 28 7.289 3.249 -10.494 1.00 0.00 C ATOM 365 CD1 PHE A 28 7.168 4.593 -10.653 1.00 0.00 C ATOM 366 CD2 PHE A 28 8.032 2.524 -11.374 1.00 0.00 C ATOM 367 CE1 PHE A 28 7.814 5.243 -11.738 1.00 0.00 C ATOM 368 CE2 PHE A 28 8.679 3.173 -12.459 1.00 0.00 C ATOM 369 CZ PHE A 28 8.557 4.518 -12.618 1.00 0.00 C ATOM 0 H PHE A 28 3.602 1.905 -8.539 1.00 0.00 H new ATOM 0 HA PHE A 28 5.334 4.071 -8.388 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.243 2.594 -8.450 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.462 1.496 -9.570 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.580 5.168 -9.953 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.130 1.456 -11.247 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.716 6.311 -11.865 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.268 2.598 -13.158 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.050 5.011 -13.443 1.00 0.00 H new ATOM 378 N ILE A 29 3.803 2.465 -10.778 1.00 0.00 N ATOM 379 CA ILE A 29 3.037 2.631 -12.000 1.00 0.00 C ATOM 380 C ILE A 29 2.071 3.807 -11.837 1.00 0.00 C ATOM 381 O ILE A 29 0.977 3.646 -11.300 1.00 0.00 O ATOM 382 CB ILE A 29 2.348 1.320 -12.383 1.00 0.00 C ATOM 383 CG1 ILE A 29 3.333 0.150 -12.339 1.00 0.00 C ATOM 384 CG2 ILE A 29 1.661 1.439 -13.745 1.00 0.00 C ATOM 385 CD1 ILE A 29 2.783 -1.059 -13.098 1.00 0.00 C ATOM 0 H ILE A 29 3.774 1.526 -10.381 1.00 0.00 H new ATOM 0 HA ILE A 29 3.698 2.873 -12.832 1.00 0.00 H new ATOM 0 HB ILE A 29 1.571 1.115 -11.647 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.285 0.455 -12.774 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.530 -0.125 -11.303 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.179 0.493 -13.993 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.911 2.229 -13.707 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.403 1.679 -14.507 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.503 -1.876 -13.051 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.844 -1.376 -12.645 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.610 -0.787 -14.139 1.00 0.00 H new ATOM 396 N VAL A 30 2.513 4.964 -12.310 1.00 0.00 N ATOM 397 CA VAL A 30 1.702 6.166 -12.223 1.00 0.00 C ATOM 398 C VAL A 30 0.826 6.278 -13.471 1.00 0.00 C ATOM 399 O VAL A 30 1.251 5.911 -14.567 1.00 0.00 O ATOM 400 CB VAL A 30 2.598 7.388 -12.010 1.00 0.00 C ATOM 401 CG1 VAL A 30 1.776 8.677 -12.000 1.00 0.00 C ATOM 402 CG2 VAL A 30 3.418 7.249 -10.726 1.00 0.00 C ATOM 0 H VAL A 30 3.422 5.094 -12.754 1.00 0.00 H new ATOM 0 HA VAL A 30 1.035 6.114 -11.362 1.00 0.00 H new ATOM 0 HB VAL A 30 3.294 7.443 -12.847 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.438 9.529 -11.847 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.259 8.786 -12.953 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.045 8.636 -11.193 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.046 8.131 -10.598 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.746 7.156 -9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.047 6.361 -10.790 1.00 0.00 H new ATOM 412 N TYR A 31 -0.381 6.782 -13.265 1.00 0.00 N ATOM 413 CA TYR A 31 -1.321 6.947 -14.362 1.00 0.00 C ATOM 414 C TYR A 31 -1.849 8.381 -14.421 1.00 0.00 C ATOM 415 O TYR A 31 -3.036 8.618 -14.201 1.00 0.00 O ATOM 416 CB TYR A 31 -2.484 5.998 -14.065 1.00 0.00 C ATOM 417 CG TYR A 31 -2.346 4.621 -14.718 1.00 0.00 C ATOM 418 CD1 TYR A 31 -1.139 3.953 -14.668 1.00 0.00 C ATOM 419 CD2 TYR A 31 -3.426 4.047 -15.353 1.00 0.00 C ATOM 420 CE1 TYR A 31 -1.009 2.656 -15.281 1.00 0.00 C ATOM 421 CE2 TYR A 31 -3.298 2.750 -15.966 1.00 0.00 C ATOM 422 CZ TYR A 31 -2.094 2.119 -15.901 1.00 0.00 C ATOM 423 OH TYR A 31 -1.970 0.895 -16.480 1.00 0.00 O ATOM 0 H TYR A 31 -0.731 7.082 -12.355 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.840 6.733 -15.316 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.569 5.870 -12.986 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.411 6.459 -14.405 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.293 4.402 -14.170 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.370 4.571 -15.391 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.071 2.122 -15.249 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.137 2.289 -16.465 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.152 0.462 -16.158 1.00 0.00 H new ATOM 432 N PRO A 32 -0.920 9.325 -14.728 1.00 0.00 N ATOM 433 CA PRO A 32 -1.280 10.729 -14.819 1.00 0.00 C ATOM 434 C PRO A 32 -2.048 11.016 -16.112 1.00 0.00 C ATOM 435 O PRO A 32 -2.043 10.202 -17.033 1.00 0.00 O ATOM 436 CB PRO A 32 0.038 11.481 -14.732 1.00 0.00 C ATOM 437 CG PRO A 32 1.119 10.464 -15.064 1.00 0.00 C ATOM 438 CD PRO A 32 0.495 9.081 -14.995 1.00 0.00 C ATOM 0 HA PRO A 32 -1.955 11.042 -14.022 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.059 12.316 -15.432 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.186 11.897 -13.735 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.526 10.650 -16.058 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.948 10.544 -14.360 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.634 8.537 -15.929 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.949 8.481 -14.206 1.00 0.00 H new ATOM 443 N PRO A 33 -2.707 12.207 -16.137 1.00 0.00 N ATOM 444 CA PRO A 33 -3.477 12.611 -17.300 1.00 0.00 C ATOM 445 C PRO A 33 -2.557 13.055 -18.440 1.00 0.00 C ATOM 446 O PRO A 33 -2.716 14.147 -18.980 1.00 0.00 O ATOM 447 CB PRO A 33 -4.387 13.722 -16.803 1.00 0.00 C ATOM 448 CG PRO A 33 -3.770 14.216 -15.504 1.00 0.00 C ATOM 449 CD PRO A 33 -2.734 13.195 -15.063 1.00 0.00 C ATOM 0 HA PRO A 33 -4.063 11.794 -17.721 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.455 14.528 -17.534 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.400 13.354 -16.639 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.307 15.192 -15.648 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.537 14.337 -14.739 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.756 13.657 -14.925 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.008 12.739 -14.112 1.00 0.00 H new ATOM 454 N GLU A 34 -1.616 12.184 -18.771 1.00 0.00 N ATOM 455 CA GLU A 34 -0.670 12.472 -19.837 1.00 0.00 C ATOM 456 C GLU A 34 0.156 13.713 -19.490 1.00 0.00 C ATOM 457 O GLU A 34 1.321 13.602 -19.115 1.00 0.00 O ATOM 458 CB GLU A 34 -1.390 12.648 -21.175 1.00 0.00 C ATOM 459 CG GLU A 34 -2.470 11.581 -21.361 1.00 0.00 C ATOM 460 CD GLU A 34 -2.830 11.417 -22.840 1.00 0.00 C ATOM 461 OE1 GLU A 34 -2.996 12.463 -23.503 1.00 0.00 O ATOM 462 OE2 GLU A 34 -2.931 10.248 -23.273 1.00 0.00 O ATOM 0 H GLU A 34 -1.488 11.278 -18.320 1.00 0.00 H new ATOM 0 HA GLU A 34 0.008 11.624 -19.936 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.841 13.639 -21.222 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.669 12.587 -21.991 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.119 10.630 -20.961 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.360 11.856 -20.795 1.00 0.00 H new ATOM 467 N SER A 35 -0.481 14.866 -19.630 1.00 0.00 N ATOM 468 CA SER A 35 0.181 16.126 -19.338 1.00 0.00 C ATOM 469 C SER A 35 -0.595 16.887 -18.260 1.00 0.00 C ATOM 470 O SER A 35 -1.802 17.086 -18.383 1.00 0.00 O ATOM 471 CB SER A 35 0.316 16.984 -20.599 1.00 0.00 C ATOM 472 OG SER A 35 1.124 18.137 -20.376 1.00 0.00 O ATOM 0 H SER A 35 -1.448 14.954 -19.942 1.00 0.00 H new ATOM 0 HA SER A 35 1.184 15.908 -18.971 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.751 16.386 -21.400 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.674 17.294 -20.934 1.00 0.00 H new ATOM 0 HG SER A 35 1.187 18.657 -21.204 1.00 0.00 H new ATOM 477 N ALA A 36 0.132 17.290 -17.228 1.00 0.00 N ATOM 478 CA ALA A 36 -0.472 18.024 -16.129 1.00 0.00 C ATOM 479 C ALA A 36 0.591 18.310 -15.066 1.00 0.00 C ATOM 480 O ALA A 36 1.705 17.793 -15.144 1.00 0.00 O ATOM 481 CB ALA A 36 -1.653 17.227 -15.572 1.00 0.00 C ATOM 0 H ALA A 36 1.133 17.122 -17.130 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.859 18.983 -16.475 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.107 17.777 -14.747 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.393 17.076 -16.358 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.302 16.259 -15.213 1.00 0.00 H new ATOM 487 N ILE A 37 0.210 19.131 -14.099 1.00 0.00 N ATOM 488 CA ILE A 37 1.116 19.491 -13.023 1.00 0.00 C ATOM 489 C ILE A 37 1.710 18.220 -12.413 1.00 0.00 C ATOM 490 O ILE A 37 0.983 17.274 -12.111 1.00 0.00 O ATOM 491 CB ILE A 37 0.410 20.390 -12.005 1.00 0.00 C ATOM 492 CG1 ILE A 37 0.068 21.750 -12.618 1.00 0.00 C ATOM 493 CG2 ILE A 37 1.240 20.529 -10.726 1.00 0.00 C ATOM 494 CD1 ILE A 37 1.337 22.535 -12.953 1.00 0.00 C ATOM 0 H ILE A 37 -0.715 19.557 -14.038 1.00 0.00 H new ATOM 0 HA ILE A 37 1.949 20.078 -13.409 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.532 19.917 -11.727 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.525 21.607 -13.522 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.545 22.323 -11.922 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.715 21.173 -10.020 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.388 19.546 -10.280 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.208 20.968 -10.967 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.066 23.497 -13.387 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.915 22.697 -12.043 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.936 21.971 -13.668 1.00 0.00 H new ATOM 505 N GLN A 38 3.023 18.237 -12.251 1.00 0.00 N ATOM 506 CA GLN A 38 3.722 17.097 -11.683 1.00 0.00 C ATOM 507 C GLN A 38 3.159 16.764 -10.299 1.00 0.00 C ATOM 508 O GLN A 38 2.925 15.598 -9.985 1.00 0.00 O ATOM 509 CB GLN A 38 5.229 17.356 -11.613 1.00 0.00 C ATOM 510 CG GLN A 38 6.019 16.106 -12.007 1.00 0.00 C ATOM 511 CD GLN A 38 7.519 16.316 -11.793 1.00 0.00 C ATOM 512 OE1 GLN A 38 8.092 15.913 -10.794 1.00 0.00 O ATOM 513 NE2 GLN A 38 8.121 16.967 -12.784 1.00 0.00 N ATOM 0 H GLN A 38 3.623 19.023 -12.503 1.00 0.00 H new ATOM 0 HA GLN A 38 3.564 16.238 -12.335 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.491 18.180 -12.276 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.503 17.660 -10.603 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.679 15.255 -11.416 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.827 15.865 -13.053 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.582 17.277 -13.592 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.122 17.156 -12.736 1.00 0.00 H new ATOM 520 N PHE A 39 2.959 17.809 -9.510 1.00 0.00 N ATOM 521 CA PHE A 39 2.428 17.643 -8.168 1.00 0.00 C ATOM 522 C PHE A 39 2.262 18.994 -7.471 1.00 0.00 C ATOM 523 O PHE A 39 3.213 19.770 -7.381 1.00 0.00 O ATOM 524 CB PHE A 39 3.440 16.800 -7.388 1.00 0.00 C ATOM 525 CG PHE A 39 2.849 16.088 -6.169 1.00 0.00 C ATOM 526 CD1 PHE A 39 2.722 16.752 -4.989 1.00 0.00 C ATOM 527 CD2 PHE A 39 2.450 14.793 -6.266 1.00 0.00 C ATOM 528 CE1 PHE A 39 2.173 16.092 -3.858 1.00 0.00 C ATOM 529 CE2 PHE A 39 1.901 14.132 -5.135 1.00 0.00 C ATOM 530 CZ PHE A 39 1.774 14.795 -3.954 1.00 0.00 C ATOM 0 H PHE A 39 3.155 18.774 -9.775 1.00 0.00 H new ATOM 0 HA PHE A 39 1.449 17.166 -8.212 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.870 16.055 -8.058 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.257 17.443 -7.060 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.039 17.782 -4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.550 14.266 -7.203 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.072 16.620 -2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.584 13.102 -5.213 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.357 14.292 -3.094 1.00 0.00 H new ATOM 539 N SER A 40 1.050 19.237 -6.997 1.00 0.00 N ATOM 540 CA SER A 40 0.747 20.482 -6.313 1.00 0.00 C ATOM 541 C SER A 40 0.192 20.189 -4.917 1.00 0.00 C ATOM 542 O SER A 40 -0.930 19.707 -4.780 1.00 0.00 O ATOM 543 CB SER A 40 -0.248 21.324 -7.113 1.00 0.00 C ATOM 544 OG SER A 40 0.003 22.720 -6.976 1.00 0.00 O ATOM 0 H SER A 40 0.264 18.591 -7.073 1.00 0.00 H new ATOM 0 HA SER A 40 1.670 21.054 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.193 21.047 -8.166 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.261 21.103 -6.778 1.00 0.00 H new ATOM 0 HG SER A 40 -0.652 23.223 -7.503 1.00 0.00 H new ATOM 549 N TYR A 41 1.004 20.495 -3.916 1.00 0.00 N ATOM 550 CA TYR A 41 0.609 20.272 -2.536 1.00 0.00 C ATOM 551 C TYR A 41 0.118 21.568 -1.890 1.00 0.00 C ATOM 552 O TYR A 41 0.736 22.620 -2.050 1.00 0.00 O ATOM 553 CB TYR A 41 1.868 19.797 -1.808 1.00 0.00 C ATOM 554 CG TYR A 41 1.603 18.746 -0.728 1.00 0.00 C ATOM 555 CD1 TYR A 41 0.601 18.947 0.201 1.00 0.00 C ATOM 556 CD2 TYR A 41 2.366 17.597 -0.681 1.00 0.00 C ATOM 557 CE1 TYR A 41 0.353 17.958 1.217 1.00 0.00 C ATOM 558 CE2 TYR A 41 2.117 16.607 0.333 1.00 0.00 C ATOM 559 CZ TYR A 41 1.122 16.837 1.233 1.00 0.00 C ATOM 560 OH TYR A 41 0.887 15.902 2.193 1.00 0.00 O ATOM 0 H TYR A 41 1.935 20.896 -4.033 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.203 19.547 -2.482 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.564 19.385 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.358 20.657 -1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.004 19.846 0.165 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.151 17.441 -1.406 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.427 18.103 1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.706 15.703 0.379 1.00 0.00 H new ATOM 0 HH TYR A 41 1.511 15.155 2.082 1.00 0.00 H new ATOM 569 N LYS A 42 -0.989 21.452 -1.172 1.00 0.00 N ATOM 570 CA LYS A 42 -1.569 22.603 -0.500 1.00 0.00 C ATOM 571 C LYS A 42 -1.246 22.533 0.995 1.00 0.00 C ATOM 572 O LYS A 42 -0.587 23.421 1.533 1.00 0.00 O ATOM 573 CB LYS A 42 -3.068 22.699 -0.801 1.00 0.00 C ATOM 574 CG LYS A 42 -3.544 24.151 -0.744 1.00 0.00 C ATOM 575 CD LYS A 42 -4.108 24.489 0.639 1.00 0.00 C ATOM 576 CE LYS A 42 -5.590 24.861 0.552 1.00 0.00 C ATOM 577 NZ LYS A 42 -5.776 26.307 0.804 1.00 0.00 N ATOM 0 H LYS A 42 -1.500 20.579 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.130 23.526 -0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.272 22.284 -1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.627 22.100 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.714 24.819 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.308 24.317 -1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.982 23.636 1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.547 25.317 1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.978 24.605 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.160 24.283 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.787 26.543 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.424 26.542 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.248 26.854 0.094 1.00 0.00 H new ATOM 587 N ASP A 43 -1.726 21.468 1.622 1.00 0.00 N ATOM 588 CA ASP A 43 -1.496 21.270 3.043 1.00 0.00 C ATOM 589 C ASP A 43 -2.136 19.951 3.480 1.00 0.00 C ATOM 590 O ASP A 43 -1.469 19.097 4.065 1.00 0.00 O ATOM 591 CB ASP A 43 -2.127 22.395 3.864 1.00 0.00 C ATOM 592 CG ASP A 43 -2.112 22.178 5.379 1.00 0.00 C ATOM 593 OD1 ASP A 43 -1.204 21.452 5.838 1.00 0.00 O ATOM 594 OD2 ASP A 43 -3.008 22.743 6.044 1.00 0.00 O ATOM 0 H ASP A 43 -2.273 20.734 1.172 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.419 21.259 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.604 23.325 3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.160 22.525 3.541 1.00 0.00 H new ATOM 598 N GLU A 44 -3.419 19.824 3.180 1.00 0.00 N ATOM 599 CA GLU A 44 -4.157 18.623 3.533 1.00 0.00 C ATOM 600 C GLU A 44 -4.604 17.883 2.271 1.00 0.00 C ATOM 601 O GLU A 44 -5.584 18.266 1.637 1.00 0.00 O ATOM 602 CB GLU A 44 -5.353 18.957 4.425 1.00 0.00 C ATOM 603 CG GLU A 44 -6.321 17.775 4.510 1.00 0.00 C ATOM 604 CD GLU A 44 -7.586 18.155 5.282 1.00 0.00 C ATOM 605 OE1 GLU A 44 -8.308 19.046 4.785 1.00 0.00 O ATOM 606 OE2 GLU A 44 -7.802 17.546 6.353 1.00 0.00 O ATOM 0 H GLU A 44 -3.968 20.534 2.695 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.495 17.967 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.004 19.219 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.873 19.830 4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.589 17.447 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.831 16.934 5.000 1.00 0.00 H new ATOM 611 N GLU A 45 -3.861 16.833 1.945 1.00 0.00 N ATOM 612 CA GLU A 45 -4.168 16.035 0.770 1.00 0.00 C ATOM 613 C GLU A 45 -5.568 15.428 0.893 1.00 0.00 C ATOM 614 O GLU A 45 -5.886 14.791 1.895 1.00 0.00 O ATOM 615 CB GLU A 45 -3.115 14.947 0.557 1.00 0.00 C ATOM 616 CG GLU A 45 -2.745 14.827 -0.924 1.00 0.00 C ATOM 617 CD GLU A 45 -2.897 13.384 -1.411 1.00 0.00 C ATOM 618 OE1 GLU A 45 -2.003 12.576 -1.081 1.00 0.00 O ATOM 619 OE2 GLU A 45 -3.905 13.123 -2.103 1.00 0.00 O ATOM 0 H GLU A 45 -3.048 16.518 2.474 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.151 16.686 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.224 15.178 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.495 13.992 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.382 15.484 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.718 15.159 -1.074 1.00 0.00 H new ATOM 624 N ASN A 46 -6.365 15.647 -0.142 1.00 0.00 N ATOM 625 CA ASN A 46 -7.723 15.129 -0.164 1.00 0.00 C ATOM 626 C ASN A 46 -8.162 14.922 -1.615 1.00 0.00 C ATOM 627 O ASN A 46 -8.217 15.874 -2.392 1.00 0.00 O ATOM 628 CB ASN A 46 -8.697 16.111 0.490 1.00 0.00 C ATOM 629 CG ASN A 46 -9.639 15.388 1.455 1.00 0.00 C ATOM 630 OD1 ASN A 46 -9.639 14.173 1.570 1.00 0.00 O ATOM 631 ND2 ASN A 46 -10.438 16.201 2.141 1.00 0.00 N ATOM 0 H ASN A 46 -6.097 16.176 -0.972 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.735 14.189 0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.140 16.879 1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.278 16.619 -0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.103 15.816 2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.386 17.209 1.996 1.00 0.00 H new ATOM 637 N GLY A 47 -8.463 13.673 -1.935 1.00 0.00 N ATOM 638 CA GLY A 47 -8.896 13.328 -3.279 1.00 0.00 C ATOM 639 C GLY A 47 -9.898 14.354 -3.812 1.00 0.00 C ATOM 640 O GLY A 47 -10.453 15.139 -3.047 1.00 0.00 O ATOM 0 H GLY A 47 -8.416 12.887 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.032 13.279 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.351 12.338 -3.275 1.00 0.00 H new ATOM 644 N ASN A 48 -10.097 14.314 -5.121 1.00 0.00 N ATOM 645 CA ASN A 48 -11.022 15.230 -5.767 1.00 0.00 C ATOM 646 C ASN A 48 -10.977 15.013 -7.280 1.00 0.00 C ATOM 647 O ASN A 48 -12.007 14.768 -7.906 1.00 0.00 O ATOM 648 CB ASN A 48 -10.641 16.686 -5.486 1.00 0.00 C ATOM 649 CG ASN A 48 -11.810 17.448 -4.860 1.00 0.00 C ATOM 650 OD1 ASN A 48 -12.466 16.985 -3.942 1.00 0.00 O ATOM 651 ND2 ASN A 48 -12.035 18.639 -5.408 1.00 0.00 N ATOM 0 H ASN A 48 -9.633 13.661 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.019 15.035 -5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.781 16.718 -4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.340 17.173 -6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.795 19.224 -5.062 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.447 18.967 -6.175 1.00 0.00 H new ATOM 657 N ARG A 49 -9.772 15.110 -7.823 1.00 0.00 N ATOM 658 CA ARG A 49 -9.580 14.927 -9.252 1.00 0.00 C ATOM 659 C ARG A 49 -10.125 13.567 -9.692 1.00 0.00 C ATOM 660 O ARG A 49 -10.463 12.731 -8.856 1.00 0.00 O ATOM 661 CB ARG A 49 -8.099 15.017 -9.624 1.00 0.00 C ATOM 662 CG ARG A 49 -7.792 16.337 -10.335 1.00 0.00 C ATOM 663 CD ARG A 49 -7.020 17.288 -9.416 1.00 0.00 C ATOM 664 NE ARG A 49 -7.892 18.410 -9.003 1.00 0.00 N ATOM 665 CZ ARG A 49 -7.437 19.577 -8.524 1.00 0.00 C ATOM 666 NH1 ARG A 49 -6.120 19.781 -8.396 1.00 0.00 N ATOM 667 NH2 ARG A 49 -8.302 20.539 -8.173 1.00 0.00 N ATOM 0 H ARG A 49 -8.920 15.313 -7.300 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.122 15.723 -9.763 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.489 14.934 -8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.831 14.181 -10.270 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.209 16.142 -11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.722 16.808 -10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.665 16.750 -8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.140 17.671 -9.932 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.901 18.288 -9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.462 19.049 -8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.774 20.669 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.305 20.383 -8.270 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.957 21.427 -7.809 1.00 0.00 H new ATOM 678 N GLY A 50 -10.197 13.390 -11.003 1.00 0.00 N ATOM 679 CA GLY A 50 -10.697 12.145 -11.563 1.00 0.00 C ATOM 680 C GLY A 50 -9.690 11.543 -12.545 1.00 0.00 C ATOM 681 O GLY A 50 -8.670 10.993 -12.137 1.00 0.00 O ATOM 0 H GLY A 50 -9.918 14.087 -11.693 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.897 11.435 -10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.644 12.325 -12.072 1.00 0.00 H new ATOM 685 N GLY A 51 -10.013 11.668 -13.825 1.00 0.00 N ATOM 686 CA GLY A 51 -9.151 11.143 -14.870 1.00 0.00 C ATOM 687 C GLY A 51 -9.832 11.229 -16.238 1.00 0.00 C ATOM 688 O GLY A 51 -10.988 11.637 -16.335 1.00 0.00 O ATOM 0 H GLY A 51 -10.860 12.126 -14.161 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.216 11.702 -14.890 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.898 10.106 -14.650 1.00 0.00 H new ATOM 692 N LYS A 52 -9.085 10.836 -17.260 1.00 0.00 N ATOM 693 CA LYS A 52 -9.601 10.863 -18.617 1.00 0.00 C ATOM 694 C LYS A 52 -9.321 9.519 -19.292 1.00 0.00 C ATOM 695 O LYS A 52 -10.247 8.779 -19.619 1.00 0.00 O ATOM 696 CB LYS A 52 -9.041 12.064 -19.381 1.00 0.00 C ATOM 697 CG LYS A 52 -10.004 13.251 -19.322 1.00 0.00 C ATOM 698 CD LYS A 52 -9.241 14.573 -19.217 1.00 0.00 C ATOM 699 CE LYS A 52 -10.203 15.762 -19.203 1.00 0.00 C ATOM 700 NZ LYS A 52 -9.534 16.976 -19.723 1.00 0.00 N ATOM 0 H LYS A 52 -8.127 10.497 -17.175 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.683 10.997 -18.610 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.078 12.351 -18.958 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.863 11.787 -20.420 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.631 13.259 -20.213 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.669 13.142 -18.465 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.638 14.578 -18.309 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.553 14.667 -20.057 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.080 15.535 -19.809 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.555 15.941 -18.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.201 17.774 -19.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.711 17.201 -19.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.220 16.808 -20.700 1.00 0.00 H new ATOM 710 N GLN A 53 -8.038 9.245 -19.481 1.00 0.00 N ATOM 711 CA GLN A 53 -7.624 8.002 -20.111 1.00 0.00 C ATOM 712 C GLN A 53 -8.201 6.806 -19.354 1.00 0.00 C ATOM 713 O GLN A 53 -8.680 6.948 -18.230 1.00 0.00 O ATOM 714 CB GLN A 53 -6.099 7.914 -20.196 1.00 0.00 C ATOM 715 CG GLN A 53 -5.536 9.012 -21.100 1.00 0.00 C ATOM 716 CD GLN A 53 -5.192 10.265 -20.292 1.00 0.00 C ATOM 717 OE1 GLN A 53 -4.418 10.235 -19.349 1.00 0.00 O ATOM 718 NE2 GLN A 53 -5.810 11.366 -20.712 1.00 0.00 N ATOM 0 H GLN A 53 -7.272 9.862 -19.209 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.014 7.984 -21.129 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.670 8.004 -19.198 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.808 6.937 -20.581 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.644 8.647 -21.609 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.264 9.261 -21.872 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.446 11.322 -21.508 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.648 12.254 -20.238 1.00 0.00 H new ATOM 725 N ARG A 54 -8.139 5.651 -20.002 1.00 0.00 N ATOM 726 CA ARG A 54 -8.650 4.429 -19.404 1.00 0.00 C ATOM 727 C ARG A 54 -8.447 3.248 -20.354 1.00 0.00 C ATOM 728 O ARG A 54 -8.708 3.357 -21.552 1.00 0.00 O ATOM 729 CB ARG A 54 -10.138 4.558 -19.074 1.00 0.00 C ATOM 730 CG ARG A 54 -10.621 3.367 -18.243 1.00 0.00 C ATOM 731 CD ARG A 54 -12.122 3.467 -17.961 1.00 0.00 C ATOM 732 NE ARG A 54 -12.890 2.941 -19.114 1.00 0.00 N ATOM 733 CZ ARG A 54 -13.274 3.681 -20.161 1.00 0.00 C ATOM 734 NH1 ARG A 54 -12.966 4.985 -20.210 1.00 0.00 N ATOM 735 NH2 ARG A 54 -13.968 3.120 -21.160 1.00 0.00 N ATOM 0 H ARG A 54 -7.743 5.536 -20.935 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.098 4.256 -18.480 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.314 5.484 -18.526 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.715 4.620 -19.997 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.408 2.439 -18.773 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.072 3.329 -17.302 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.370 2.904 -17.061 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.397 4.505 -17.773 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.142 1.953 -19.109 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.439 5.413 -19.449 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.259 5.549 -21.008 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.204 2.128 -21.123 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.260 3.684 -21.958 1.00 0.00 H new ATOM 746 N ASN A 55 -7.980 2.145 -19.786 1.00 0.00 N ATOM 747 CA ASN A 55 -7.738 0.944 -20.568 1.00 0.00 C ATOM 748 C ASN A 55 -8.661 -0.174 -20.077 1.00 0.00 C ATOM 749 O ASN A 55 -9.360 -0.800 -20.872 1.00 0.00 O ATOM 750 CB ASN A 55 -6.293 0.468 -20.411 1.00 0.00 C ATOM 751 CG ASN A 55 -5.825 0.605 -18.962 1.00 0.00 C ATOM 752 OD1 ASN A 55 -6.587 0.917 -18.062 1.00 0.00 O ATOM 753 ND2 ASN A 55 -4.530 0.357 -18.786 1.00 0.00 N ATOM 0 H ASN A 55 -7.763 2.058 -18.793 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.929 1.179 -21.615 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.213 -0.572 -20.726 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.642 1.050 -21.064 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.120 0.423 -17.854 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.947 0.100 -19.583 1.00 0.00 H new ATOM 759 N ARG A 56 -8.633 -0.388 -18.770 1.00 0.00 N ATOM 760 CA ARG A 56 -9.459 -1.419 -18.163 1.00 0.00 C ATOM 761 C ARG A 56 -9.863 -1.012 -16.745 1.00 0.00 C ATOM 762 O ARG A 56 -9.780 -1.815 -15.818 1.00 0.00 O ATOM 763 CB ARG A 56 -8.718 -2.757 -18.111 1.00 0.00 C ATOM 764 CG ARG A 56 -9.696 -3.917 -17.916 1.00 0.00 C ATOM 765 CD ARG A 56 -10.854 -3.832 -18.913 1.00 0.00 C ATOM 766 NE ARG A 56 -11.474 -5.165 -19.084 1.00 0.00 N ATOM 767 CZ ARG A 56 -12.685 -5.367 -19.619 1.00 0.00 C ATOM 768 NH1 ARG A 56 -13.414 -4.323 -20.041 1.00 0.00 N ATOM 769 NH2 ARG A 56 -13.168 -6.612 -19.736 1.00 0.00 N ATOM 0 H ARG A 56 -8.052 0.134 -18.114 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.351 -1.533 -18.778 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.156 -2.902 -19.034 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.995 -2.745 -17.295 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.172 -4.864 -18.042 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.086 -3.901 -16.898 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.598 -3.119 -18.559 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.492 -3.464 -19.873 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.946 -5.981 -18.775 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.046 -3.376 -19.954 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.336 -4.477 -20.449 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.613 -7.406 -19.417 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.090 -6.765 -20.144 1.00 0.00 H new ATOM 780 N LEU A 57 -10.287 0.238 -16.622 1.00 0.00 N ATOM 781 CA LEU A 57 -10.703 0.762 -15.332 1.00 0.00 C ATOM 782 C LEU A 57 -9.488 0.853 -14.407 1.00 0.00 C ATOM 783 O LEU A 57 -9.354 0.064 -13.473 1.00 0.00 O ATOM 784 CB LEU A 57 -11.852 -0.071 -14.760 1.00 0.00 C ATOM 785 CG LEU A 57 -13.263 0.445 -15.045 1.00 0.00 C ATOM 786 CD1 LEU A 57 -13.546 0.465 -16.549 1.00 0.00 C ATOM 787 CD2 LEU A 57 -14.309 -0.365 -14.277 1.00 0.00 C ATOM 0 H LEU A 57 -10.351 0.902 -17.394 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.097 1.773 -15.441 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.771 -1.084 -15.154 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.723 -0.138 -13.680 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.328 1.474 -14.691 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.556 0.836 -16.724 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.828 1.118 -17.046 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -13.456 -0.545 -16.950 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -15.303 0.023 -14.498 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.252 -1.411 -14.578 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.118 -0.285 -13.207 1.00 0.00 H new ATOM 798 N GLU A 58 -8.632 1.822 -14.700 1.00 0.00 N ATOM 799 CA GLU A 58 -7.433 2.025 -13.906 1.00 0.00 C ATOM 800 C GLU A 58 -6.599 0.743 -13.867 1.00 0.00 C ATOM 801 O GLU A 58 -7.097 -0.336 -14.180 1.00 0.00 O ATOM 802 CB GLU A 58 -7.784 2.495 -12.492 1.00 0.00 C ATOM 803 CG GLU A 58 -7.969 4.013 -12.449 1.00 0.00 C ATOM 804 CD GLU A 58 -7.769 4.548 -11.028 1.00 0.00 C ATOM 805 OE1 GLU A 58 -7.885 3.728 -10.092 1.00 0.00 O ATOM 806 OE2 GLU A 58 -7.506 5.765 -10.913 1.00 0.00 O ATOM 0 H GLU A 58 -8.746 2.474 -15.476 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.838 2.808 -14.376 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.698 2.004 -12.158 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.994 2.202 -11.801 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.258 4.489 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.967 4.272 -12.802 1.00 0.00 H new ATOM 811 N PRO A 59 -5.308 0.909 -13.469 1.00 0.00 N ATOM 812 CA PRO A 59 -4.399 -0.220 -13.385 1.00 0.00 C ATOM 813 C PRO A 59 -4.703 -1.078 -12.157 1.00 0.00 C ATOM 814 O PRO A 59 -5.794 -0.997 -11.592 1.00 0.00 O ATOM 815 CB PRO A 59 -3.010 0.394 -13.352 1.00 0.00 C ATOM 816 CG PRO A 59 -3.206 1.847 -12.951 1.00 0.00 C ATOM 817 CD PRO A 59 -4.683 2.175 -13.092 1.00 0.00 C ATOM 0 HA PRO A 59 -4.497 -0.903 -14.229 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.370 -0.125 -12.638 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.527 0.319 -14.326 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.876 2.007 -11.925 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.608 2.502 -13.584 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.095 2.558 -12.158 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.848 2.940 -13.851 1.00 0.00 H new ATOM 822 N MET A 60 -3.720 -1.881 -11.777 1.00 0.00 N ATOM 823 CA MET A 60 -3.869 -2.753 -10.624 1.00 0.00 C ATOM 824 C MET A 60 -3.462 -2.035 -9.336 1.00 0.00 C ATOM 825 O MET A 60 -2.409 -2.321 -8.768 1.00 0.00 O ATOM 826 CB MET A 60 -3.000 -3.999 -10.810 1.00 0.00 C ATOM 827 CG MET A 60 -1.514 -3.635 -10.817 1.00 0.00 C ATOM 828 SD MET A 60 -0.630 -4.704 -11.941 1.00 0.00 S ATOM 829 CE MET A 60 -0.896 -3.828 -13.474 1.00 0.00 C ATOM 0 H MET A 60 -2.817 -1.946 -12.247 1.00 0.00 H new ATOM 0 HA MET A 60 -4.918 -3.039 -10.542 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.200 -4.709 -10.008 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.262 -4.493 -11.746 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.387 -2.594 -11.116 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.103 -3.730 -9.812 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.407 -4.363 -14.288 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.965 -3.762 -13.674 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.478 -2.824 -13.397 1.00 0.00 H new ATOM 837 N ASP A 61 -4.318 -1.115 -8.913 1.00 0.00 N ATOM 838 CA ASP A 61 -4.060 -0.353 -7.703 1.00 0.00 C ATOM 839 C ASP A 61 -3.949 -1.312 -6.517 1.00 0.00 C ATOM 840 O ASP A 61 -4.923 -1.533 -5.798 1.00 0.00 O ATOM 841 CB ASP A 61 -5.201 0.626 -7.416 1.00 0.00 C ATOM 842 CG ASP A 61 -5.310 1.796 -8.395 1.00 0.00 C ATOM 843 OD1 ASP A 61 -4.501 1.818 -9.347 1.00 0.00 O ATOM 844 OD2 ASP A 61 -6.200 2.644 -8.168 1.00 0.00 O ATOM 0 H ASP A 61 -5.190 -0.881 -9.387 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.134 0.204 -7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.142 0.076 -7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.073 1.025 -6.410 1.00 0.00 H new ATOM 848 N THR A 62 -2.753 -1.857 -6.347 1.00 0.00 N ATOM 849 CA THR A 62 -2.502 -2.786 -5.258 1.00 0.00 C ATOM 850 C THR A 62 -1.344 -2.292 -4.390 1.00 0.00 C ATOM 851 O THR A 62 -0.620 -1.377 -4.780 1.00 0.00 O ATOM 852 CB THR A 62 -2.260 -4.170 -5.866 1.00 0.00 C ATOM 853 OG1 THR A 62 -1.541 -3.901 -7.067 1.00 0.00 O ATOM 854 CG2 THR A 62 -3.551 -4.834 -6.345 1.00 0.00 C ATOM 0 H THR A 62 -1.947 -1.673 -6.945 1.00 0.00 H new ATOM 0 HA THR A 62 -3.360 -2.853 -4.589 1.00 0.00 H new ATOM 0 HB THR A 62 -1.776 -4.810 -5.128 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.171 -3.666 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.322 -5.812 -6.767 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.233 -4.953 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.020 -4.211 -7.107 1.00 0.00 H new ATOM 862 N ILE A 63 -1.204 -2.919 -3.232 1.00 0.00 N ATOM 863 CA ILE A 63 -0.147 -2.554 -2.306 1.00 0.00 C ATOM 864 C ILE A 63 0.926 -3.646 -2.307 1.00 0.00 C ATOM 865 O ILE A 63 2.067 -3.399 -2.694 1.00 0.00 O ATOM 866 CB ILE A 63 -0.724 -2.263 -0.920 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.257 -0.830 -0.837 1.00 0.00 C ATOM 868 CG2 ILE A 63 0.303 -2.556 0.176 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.764 -0.819 -0.576 1.00 0.00 C ATOM 0 H ILE A 63 -1.806 -3.678 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 63 0.335 -1.630 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.569 -2.932 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.743 -0.293 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.042 -0.304 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.134 -2.340 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.592 -3.606 0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.183 -1.931 0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.116 0.211 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.277 -1.336 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.974 -1.324 0.367 1.00 0.00 H new ATOM 880 N PHE A 64 0.521 -4.828 -1.869 1.00 0.00 N ATOM 881 CA PHE A 64 1.433 -5.959 -1.815 1.00 0.00 C ATOM 882 C PHE A 64 2.652 -5.639 -0.948 1.00 0.00 C ATOM 883 O PHE A 64 3.421 -4.731 -1.261 1.00 0.00 O ATOM 884 CB PHE A 64 1.899 -6.227 -3.249 1.00 0.00 C ATOM 885 CG PHE A 64 0.765 -6.572 -4.216 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.188 -7.471 -3.853 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.712 -5.980 -5.441 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.241 -7.791 -4.751 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.340 -6.302 -6.339 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.294 -7.200 -5.975 1.00 0.00 C ATOM 0 H PHE A 64 -0.426 -5.028 -1.548 1.00 0.00 H new ATOM 0 HA PHE A 64 0.929 -6.823 -1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.424 -5.347 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.617 -7.047 -3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.144 -7.942 -2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.469 -5.266 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.999 -8.503 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.382 -5.834 -7.311 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.094 -7.444 -6.658 1.00 0.00 H new ATOM 899 N VAL A 65 2.789 -6.402 0.127 1.00 0.00 N ATOM 900 CA VAL A 65 3.902 -6.212 1.043 1.00 0.00 C ATOM 901 C VAL A 65 5.192 -6.697 0.379 1.00 0.00 C ATOM 902 O VAL A 65 5.267 -7.834 -0.080 1.00 0.00 O ATOM 903 CB VAL A 65 3.611 -6.913 2.371 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.726 -6.647 3.385 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.250 -6.490 2.929 1.00 0.00 C ATOM 0 H VAL A 65 2.148 -7.153 0.384 1.00 0.00 H new ATOM 0 HA VAL A 65 4.033 -5.154 1.272 1.00 0.00 H new ATOM 0 HB VAL A 65 3.576 -7.986 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.496 -7.156 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.672 -7.020 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.806 -5.575 3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.068 -7.003 3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.243 -5.413 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.467 -6.752 2.217 1.00 0.00 H new ATOM 915 N LYS A 66 6.175 -5.809 0.351 1.00 0.00 N ATOM 916 CA LYS A 66 7.458 -6.132 -0.249 1.00 0.00 C ATOM 917 C LYS A 66 8.293 -6.938 0.748 1.00 0.00 C ATOM 918 O LYS A 66 8.722 -8.051 0.447 1.00 0.00 O ATOM 919 CB LYS A 66 8.152 -4.863 -0.748 1.00 0.00 C ATOM 920 CG LYS A 66 9.410 -5.205 -1.548 1.00 0.00 C ATOM 921 CD LYS A 66 10.616 -4.411 -1.037 1.00 0.00 C ATOM 922 CE LYS A 66 11.398 -3.794 -2.197 1.00 0.00 C ATOM 923 NZ LYS A 66 10.666 -2.634 -2.757 1.00 0.00 N ATOM 0 H LYS A 66 6.109 -4.866 0.734 1.00 0.00 H new ATOM 0 HA LYS A 66 7.319 -6.758 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.465 -4.290 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.416 -4.231 0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.614 -6.273 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.246 -4.986 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.278 -3.624 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.270 -5.066 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.383 -3.478 -1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.557 -4.541 -2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.674 -2.687 -3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.683 -2.647 -2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.126 -1.753 -2.452 1.00 0.00 H new ATOM 933 N GLN A 67 8.500 -6.344 1.914 1.00 0.00 N ATOM 934 CA GLN A 67 9.276 -6.993 2.957 1.00 0.00 C ATOM 935 C GLN A 67 8.581 -6.835 4.312 1.00 0.00 C ATOM 936 O GLN A 67 7.551 -6.172 4.412 1.00 0.00 O ATOM 937 CB GLN A 67 10.701 -6.440 3.005 1.00 0.00 C ATOM 938 CG GLN A 67 11.564 -7.053 1.900 1.00 0.00 C ATOM 939 CD GLN A 67 13.054 -6.879 2.209 1.00 0.00 C ATOM 940 OE1 GLN A 67 13.753 -6.088 1.600 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.497 -7.663 3.188 1.00 0.00 N ATOM 0 H GLN A 67 8.144 -5.420 2.160 1.00 0.00 H new ATOM 0 HA GLN A 67 9.342 -8.056 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.678 -5.356 2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.145 -6.652 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.331 -8.113 1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.329 -6.581 0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.857 -8.304 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.477 -7.623 3.470 1.00 0.00 H new ATOM 948 N VAL A 68 9.174 -7.458 5.321 1.00 0.00 N ATOM 949 CA VAL A 68 8.625 -7.396 6.664 1.00 0.00 C ATOM 950 C VAL A 68 9.748 -7.613 7.680 1.00 0.00 C ATOM 951 O VAL A 68 10.319 -8.700 7.755 1.00 0.00 O ATOM 952 CB VAL A 68 7.483 -8.403 6.810 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.262 -8.772 8.278 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.196 -7.868 6.179 1.00 0.00 C ATOM 0 H VAL A 68 10.029 -8.008 5.234 1.00 0.00 H new ATOM 0 HA VAL A 68 8.198 -6.412 6.857 1.00 0.00 H new ATOM 0 HB VAL A 68 7.766 -9.310 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.445 -9.489 8.354 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.172 -9.215 8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.012 -7.875 8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.400 -8.603 6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.908 -6.939 6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.362 -7.680 5.118 1.00 0.00 H new ATOM 964 N LYS A 69 10.031 -6.562 8.435 1.00 0.00 N ATOM 965 CA LYS A 69 11.076 -6.625 9.443 1.00 0.00 C ATOM 966 C LYS A 69 11.021 -7.984 10.144 1.00 0.00 C ATOM 967 O LYS A 69 9.943 -8.469 10.483 1.00 0.00 O ATOM 968 CB LYS A 69 10.970 -5.435 10.400 1.00 0.00 C ATOM 969 CG LYS A 69 12.353 -5.000 10.887 1.00 0.00 C ATOM 970 CD LYS A 69 12.320 -3.566 11.420 1.00 0.00 C ATOM 971 CE LYS A 69 13.264 -3.402 12.612 1.00 0.00 C ATOM 972 NZ LYS A 69 14.443 -2.590 12.232 1.00 0.00 N ATOM 0 H LYS A 69 9.555 -5.662 8.369 1.00 0.00 H new ATOM 0 HA LYS A 69 12.059 -6.545 8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.479 -4.602 9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.348 -5.704 11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.696 -5.675 11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.070 -5.071 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.605 -2.873 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.304 -3.309 11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.737 -2.924 13.438 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.588 -4.381 12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.074 -2.488 13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.954 -3.061 11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.130 -1.649 11.917 1.00 0.00 H new ATOM 982 N GLU A 70 12.197 -8.561 10.341 1.00 0.00 N ATOM 983 CA GLU A 70 12.298 -9.854 10.995 1.00 0.00 C ATOM 984 C GLU A 70 12.451 -9.674 12.506 1.00 0.00 C ATOM 985 O GLU A 70 13.550 -9.422 12.997 1.00 0.00 O ATOM 986 CB GLU A 70 13.456 -10.671 10.420 1.00 0.00 C ATOM 987 CG GLU A 70 13.062 -12.140 10.256 1.00 0.00 C ATOM 988 CD GLU A 70 14.196 -13.066 10.698 1.00 0.00 C ATOM 989 OE1 GLU A 70 14.326 -13.256 11.927 1.00 0.00 O ATOM 990 OE2 GLU A 70 14.907 -13.563 9.799 1.00 0.00 O ATOM 0 H GLU A 70 13.089 -8.156 10.059 1.00 0.00 H new ATOM 0 HA GLU A 70 11.378 -10.407 10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.752 -10.260 9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.322 -10.594 11.078 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.168 -12.348 10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.811 -12.338 9.214 1.00 0.00 H new ATOM 995 N GLY A 71 11.332 -9.809 13.203 1.00 0.00 N ATOM 996 CA GLY A 71 11.329 -9.667 14.649 1.00 0.00 C ATOM 997 C GLY A 71 10.706 -8.330 15.066 1.00 0.00 C ATOM 998 O GLY A 71 11.109 -7.738 16.064 1.00 0.00 O ATOM 0 H GLY A 71 10.421 -10.015 12.793 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.771 -10.489 15.098 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.349 -9.731 15.027 1.00 0.00 H new ATOM 1002 N GLY A 72 9.733 -7.898 14.277 1.00 0.00 N ATOM 1003 CA GLY A 72 9.051 -6.645 14.552 1.00 0.00 C ATOM 1004 C GLY A 72 7.557 -6.874 14.790 1.00 0.00 C ATOM 1005 O GLY A 72 7.143 -7.980 15.135 1.00 0.00 O ATOM 0 H GLY A 72 9.401 -8.392 13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.494 -6.171 15.428 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.189 -5.961 13.715 1.00 0.00 H new ATOM 1009 N PRO A 73 6.768 -5.784 14.590 1.00 0.00 N ATOM 1010 CA PRO A 73 5.330 -5.856 14.782 1.00 0.00 C ATOM 1011 C PRO A 73 4.660 -6.594 13.621 1.00 0.00 C ATOM 1012 O PRO A 73 4.117 -7.684 13.804 1.00 0.00 O ATOM 1013 CB PRO A 73 4.878 -4.410 14.906 1.00 0.00 C ATOM 1014 CG PRO A 73 5.999 -3.570 14.320 1.00 0.00 C ATOM 1015 CD PRO A 73 7.225 -4.459 14.182 1.00 0.00 C ATOM 0 HA PRO A 73 5.051 -6.424 15.669 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.945 -4.245 14.368 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.696 -4.146 15.948 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.708 -3.168 13.350 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.215 -2.719 14.965 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.596 -4.466 13.157 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.041 -4.109 14.814 1.00 0.00 H new ATOM 1020 N ALA A 74 4.719 -5.973 12.453 1.00 0.00 N ATOM 1021 CA ALA A 74 4.125 -6.558 11.262 1.00 0.00 C ATOM 1022 C ALA A 74 4.394 -8.064 11.251 1.00 0.00 C ATOM 1023 O ALA A 74 3.486 -8.858 11.008 1.00 0.00 O ATOM 1024 CB ALA A 74 4.677 -5.857 10.019 1.00 0.00 C ATOM 0 H ALA A 74 5.169 -5.070 12.305 1.00 0.00 H new ATOM 0 HA ALA A 74 3.044 -6.416 11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.232 -6.296 9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.434 -4.795 10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.759 -5.980 9.982 1.00 0.00 H new ATOM 1030 N PHE A 75 5.645 -8.411 11.516 1.00 0.00 N ATOM 1031 CA PHE A 75 6.044 -9.808 11.540 1.00 0.00 C ATOM 1032 C PHE A 75 5.158 -10.616 12.488 1.00 0.00 C ATOM 1033 O PHE A 75 4.550 -11.607 12.084 1.00 0.00 O ATOM 1034 CB PHE A 75 7.487 -9.852 12.047 1.00 0.00 C ATOM 1035 CG PHE A 75 7.958 -11.248 12.462 1.00 0.00 C ATOM 1036 CD1 PHE A 75 7.983 -12.256 11.549 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.353 -11.479 13.742 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.420 -13.551 11.932 1.00 0.00 C ATOM 1039 CE2 PHE A 75 8.791 -12.775 14.126 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.814 -13.783 13.214 1.00 0.00 C ATOM 0 H PHE A 75 6.395 -7.749 11.716 1.00 0.00 H new ATOM 0 HA PHE A 75 5.949 -10.239 10.543 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.147 -9.474 11.267 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.583 -9.179 12.899 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.670 -12.071 10.532 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.334 -10.678 14.466 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.440 -14.351 11.207 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.106 -12.959 15.143 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.145 -14.768 13.507 1.00 0.00 H new ATOM 1049 N GLU A 76 5.110 -10.165 13.733 1.00 0.00 N ATOM 1050 CA GLU A 76 4.308 -10.833 14.742 1.00 0.00 C ATOM 1051 C GLU A 76 2.822 -10.731 14.393 1.00 0.00 C ATOM 1052 O GLU A 76 2.090 -11.717 14.476 1.00 0.00 O ATOM 1053 CB GLU A 76 4.584 -10.259 16.133 1.00 0.00 C ATOM 1054 CG GLU A 76 6.087 -10.194 16.409 1.00 0.00 C ATOM 1055 CD GLU A 76 6.502 -11.247 17.439 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.011 -12.389 17.311 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.299 -10.885 18.332 1.00 0.00 O ATOM 0 H GLU A 76 5.615 -9.343 14.066 1.00 0.00 H new ATOM 0 HA GLU A 76 4.587 -11.887 14.758 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.153 -9.261 16.211 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.098 -10.876 16.888 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.638 -10.351 15.481 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.351 -9.201 16.773 1.00 0.00 H new ATOM 1062 N ALA A 77 2.418 -9.529 14.009 1.00 0.00 N ATOM 1063 CA ALA A 77 1.033 -9.283 13.646 1.00 0.00 C ATOM 1064 C ALA A 77 0.542 -10.411 12.737 1.00 0.00 C ATOM 1065 O ALA A 77 -0.653 -10.702 12.691 1.00 0.00 O ATOM 1066 CB ALA A 77 0.912 -7.908 12.987 1.00 0.00 C ATOM 0 H ALA A 77 3.027 -8.714 13.941 1.00 0.00 H new ATOM 0 HA ALA A 77 0.400 -9.274 14.533 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.128 -7.725 12.715 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.245 -7.140 13.685 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.532 -7.878 12.091 1.00 0.00 H new ATOM 1072 N GLY A 78 1.489 -11.015 12.033 1.00 0.00 N ATOM 1073 CA GLY A 78 1.166 -12.106 11.127 1.00 0.00 C ATOM 1074 C GLY A 78 1.359 -11.682 9.669 1.00 0.00 C ATOM 1075 O GLY A 78 1.022 -12.427 8.752 1.00 0.00 O ATOM 0 H GLY A 78 2.478 -10.770 12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.799 -12.966 11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.135 -12.421 11.285 1.00 0.00 H new ATOM 1079 N LEU A 79 1.902 -10.484 9.502 1.00 0.00 N ATOM 1080 CA LEU A 79 2.145 -9.952 8.172 1.00 0.00 C ATOM 1081 C LEU A 79 3.251 -10.764 7.496 1.00 0.00 C ATOM 1082 O LEU A 79 3.746 -11.737 8.062 1.00 0.00 O ATOM 1083 CB LEU A 79 2.437 -8.452 8.240 1.00 0.00 C ATOM 1084 CG LEU A 79 1.759 -7.588 7.176 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.289 -7.344 7.522 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.522 -6.279 6.964 1.00 0.00 C ATOM 0 H LEU A 79 2.180 -9.868 10.266 1.00 0.00 H new ATOM 0 HA LEU A 79 1.253 -10.052 7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.135 -8.087 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.515 -8.308 8.164 1.00 0.00 H new ATOM 0 HG LEU A 79 1.782 -8.131 6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.169 -6.727 6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.234 -8.298 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.221 -6.832 8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.018 -5.684 6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.553 -5.720 7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.539 -6.499 6.639 1.00 0.00 H new ATOM 1097 N CYS A 80 3.607 -10.335 6.294 1.00 0.00 N ATOM 1098 CA CYS A 80 4.646 -11.009 5.535 1.00 0.00 C ATOM 1099 C CYS A 80 4.808 -10.287 4.197 1.00 0.00 C ATOM 1100 O CYS A 80 4.322 -9.170 4.026 1.00 0.00 O ATOM 1101 CB CYS A 80 4.335 -12.496 5.347 1.00 0.00 C ATOM 1102 SG CYS A 80 5.591 -13.511 6.206 1.00 0.00 S ATOM 0 H CYS A 80 3.194 -9.528 5.827 1.00 0.00 H new ATOM 0 HA CYS A 80 5.586 -10.968 6.085 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.343 -12.721 5.739 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.321 -12.742 4.285 1.00 0.00 H new ATOM 0 HG CYS A 80 5.317 -14.771 6.042 1.00 0.00 H new ATOM 1107 N THR A 81 5.495 -10.954 3.280 1.00 0.00 N ATOM 1108 CA THR A 81 5.727 -10.389 1.961 1.00 0.00 C ATOM 1109 C THR A 81 4.799 -11.037 0.932 1.00 0.00 C ATOM 1110 O THR A 81 4.652 -12.259 0.905 1.00 0.00 O ATOM 1111 CB THR A 81 7.212 -10.557 1.631 1.00 0.00 C ATOM 1112 OG1 THR A 81 7.390 -11.968 1.537 1.00 0.00 O ATOM 1113 CG2 THR A 81 8.120 -10.143 2.791 1.00 0.00 C ATOM 0 H THR A 81 5.898 -11.880 3.425 1.00 0.00 H new ATOM 0 HA THR A 81 5.492 -9.325 1.939 1.00 0.00 H new ATOM 0 HB THR A 81 7.457 -9.965 0.749 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.326 -12.166 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.162 -10.282 2.504 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.947 -9.094 3.032 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.899 -10.758 3.664 1.00 0.00 H new ATOM 1121 N GLY A 82 4.196 -10.191 0.110 1.00 0.00 N ATOM 1122 CA GLY A 82 3.286 -10.665 -0.918 1.00 0.00 C ATOM 1123 C GLY A 82 1.837 -10.323 -0.568 1.00 0.00 C ATOM 1124 O GLY A 82 1.061 -9.927 -1.437 1.00 0.00 O ATOM 0 H GLY A 82 4.320 -9.179 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.548 -10.216 -1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.391 -11.744 -1.032 1.00 0.00 H new ATOM 1128 N ASP A 83 1.515 -10.487 0.706 1.00 0.00 N ATOM 1129 CA ASP A 83 0.172 -10.201 1.182 1.00 0.00 C ATOM 1130 C ASP A 83 -0.231 -8.794 0.737 1.00 0.00 C ATOM 1131 O ASP A 83 0.508 -7.835 0.951 1.00 0.00 O ATOM 1132 CB ASP A 83 0.106 -10.251 2.710 1.00 0.00 C ATOM 1133 CG ASP A 83 0.108 -11.657 3.311 1.00 0.00 C ATOM 1134 OD1 ASP A 83 -0.637 -12.506 2.773 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.853 -11.853 4.296 1.00 0.00 O ATOM 0 H ASP A 83 2.161 -10.815 1.424 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.500 -10.953 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.954 -9.698 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.796 -9.734 3.037 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.406 -8.715 0.127 1.00 0.00 N ATOM 1140 CA ARG A 84 -1.917 -7.440 -0.350 1.00 0.00 C ATOM 1141 C ARG A 84 -2.824 -6.805 0.705 1.00 0.00 C ATOM 1142 O ARG A 84 -3.528 -7.508 1.429 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.702 -7.614 -1.651 1.00 0.00 C ATOM 1144 CG ARG A 84 -3.986 -8.412 -1.415 1.00 0.00 C ATOM 1145 CD ARG A 84 -4.919 -8.320 -2.624 1.00 0.00 C ATOM 1146 NE ARG A 84 -6.116 -9.161 -2.404 1.00 0.00 N ATOM 1147 CZ ARG A 84 -6.148 -10.489 -2.590 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -5.048 -11.133 -3.001 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -7.279 -11.170 -2.365 1.00 0.00 N ATOM 0 H ARG A 84 -2.018 -9.512 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.063 -6.789 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.948 -6.636 -2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.082 -8.125 -2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.739 -9.456 -1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.495 -8.034 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.217 -7.284 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.396 -8.645 -3.523 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.971 -8.702 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.187 -10.614 -3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.071 -12.143 -3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.116 -10.679 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.303 -12.180 -2.507 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.781 -5.481 0.758 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.591 -4.744 1.712 1.00 0.00 C ATOM 1162 C ILE A 85 -4.996 -4.550 1.139 1.00 0.00 C ATOM 1163 O ILE A 85 -5.151 -4.161 -0.017 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.901 -3.436 2.103 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.454 -3.686 2.532 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.698 -2.694 3.177 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.383 -4.755 3.625 1.00 0.00 C ATOM 0 H ILE A 85 -2.198 -4.900 0.155 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.699 -5.310 2.637 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.869 -2.792 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.865 -4.002 1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.014 -2.758 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.185 -1.768 3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.693 -2.463 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.785 -3.321 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.343 -4.914 3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.953 -4.426 4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.802 -5.688 3.249 1.00 0.00 H new ATOM 1178 N ILE A 86 -5.986 -4.832 1.975 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.373 -4.694 1.566 1.00 0.00 C ATOM 1180 C ILE A 86 -8.010 -3.527 2.325 1.00 0.00 C ATOM 1181 O ILE A 86 -8.846 -2.809 1.778 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.117 -6.019 1.738 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.028 -6.515 3.181 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.613 -7.064 0.741 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -8.960 -7.705 3.412 1.00 0.00 C ATOM 0 H ILE A 86 -5.854 -5.155 2.933 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.435 -4.456 0.504 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.172 -5.849 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.002 -6.804 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.289 -5.706 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.158 -7.997 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.772 -6.704 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.549 -7.237 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.876 -8.037 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.988 -7.406 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.681 -8.521 2.745 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.591 -3.376 3.571 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.111 -2.310 4.412 1.00 0.00 C ATOM 1198 C LYS A 87 -6.954 -1.650 5.165 1.00 0.00 C ATOM 1199 O LYS A 87 -5.852 -2.196 5.220 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.217 -2.839 5.326 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.409 -3.341 4.509 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.852 -4.728 4.980 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.477 -5.523 3.833 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.493 -6.468 4.351 1.00 0.00 N ATOM 0 H LYS A 87 -6.897 -3.974 4.020 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.577 -1.537 3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.828 -3.649 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.542 -2.050 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.238 -2.640 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.140 -3.380 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.995 -5.271 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.572 -4.627 5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.937 -4.841 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.702 -6.071 3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.908 -7.000 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.044 -7.130 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.241 -5.938 4.842 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.243 -0.485 5.726 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.240 0.254 6.473 1.00 0.00 C ATOM 1216 C VAL A 88 -6.934 1.148 7.504 1.00 0.00 C ATOM 1217 O VAL A 88 -7.706 2.036 7.142 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.342 1.036 5.513 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.372 1.937 6.280 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.589 0.092 4.574 1.00 0.00 C ATOM 0 H VAL A 88 -8.157 -0.035 5.678 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.591 -0.430 7.019 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.981 1.675 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.745 2.482 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.936 2.646 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.743 1.326 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.958 0.674 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.967 -0.585 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.304 -0.487 3.990 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.636 0.883 8.767 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.221 1.651 9.852 1.00 0.00 C ATOM 1232 C ASN A 89 -8.734 1.753 9.640 1.00 0.00 C ATOM 1233 O ASN A 89 -9.345 2.764 9.982 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.654 3.072 9.890 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.153 3.070 9.590 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.448 2.103 9.826 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.707 4.204 9.058 1.00 0.00 N ATOM 0 H ASN A 89 -5.996 0.146 9.063 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.987 1.144 10.788 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.174 3.695 9.162 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.832 3.513 10.871 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.720 4.303 8.821 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.352 4.975 8.886 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.293 0.691 9.081 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.722 0.648 8.818 1.00 0.00 C ATOM 1245 C GLY A 90 -11.122 1.696 7.779 1.00 0.00 C ATOM 1246 O GLY A 90 -12.248 2.190 7.791 1.00 0.00 O ATOM 0 H GLY A 90 -8.783 -0.147 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.000 -0.345 8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.271 0.821 9.744 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.176 2.002 6.902 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.416 2.982 5.857 1.00 0.00 C ATOM 1252 C GLU A 91 -10.418 2.306 4.485 1.00 0.00 C ATOM 1253 O GLU A 91 -9.372 2.183 3.846 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.380 4.107 5.911 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.058 5.471 6.052 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.269 5.581 5.122 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.042 5.569 3.892 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -12.392 5.675 5.661 1.00 0.00 O ATOM 0 H GLU A 91 -9.243 1.589 6.894 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.397 3.427 6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.705 3.944 6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.773 4.091 5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.374 5.619 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.344 6.262 5.820 1.00 0.00 H new ATOM 1263 N SER A 92 -11.603 1.882 4.070 1.00 0.00 N ATOM 1264 CA SER A 92 -11.755 1.221 2.786 1.00 0.00 C ATOM 1265 C SER A 92 -10.856 1.888 1.743 1.00 0.00 C ATOM 1266 O SER A 92 -11.051 3.057 1.409 1.00 0.00 O ATOM 1267 CB SER A 92 -13.213 1.243 2.323 1.00 0.00 C ATOM 1268 OG SER A 92 -14.096 0.727 3.315 1.00 0.00 O ATOM 0 H SER A 92 -12.468 1.984 4.602 1.00 0.00 H new ATOM 0 HA SER A 92 -11.455 0.179 2.901 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.500 2.266 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.312 0.657 1.409 1.00 0.00 H new ATOM 0 HG SER A 92 -15.017 0.760 2.982 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.892 1.120 1.260 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.964 1.624 0.261 1.00 0.00 C ATOM 1275 C VAL A 93 -9.641 1.615 -1.111 1.00 0.00 C ATOM 1276 O VAL A 93 -9.128 1.017 -2.056 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.668 0.810 0.294 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.091 0.752 1.710 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.892 -0.597 -0.265 1.00 0.00 C ATOM 0 H VAL A 93 -9.733 0.153 1.541 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.691 2.656 0.480 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.940 1.313 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.171 0.168 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.877 1.763 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.814 0.284 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.956 -1.155 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.644 -1.111 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.236 -0.528 -1.297 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.783 2.285 -1.175 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.535 2.362 -2.416 1.00 0.00 C ATOM 1291 C ILE A 94 -11.425 3.777 -2.988 1.00 0.00 C ATOM 1292 O ILE A 94 -11.712 4.753 -2.296 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.976 1.897 -2.197 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -13.013 0.496 -1.583 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.780 1.975 -3.497 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.720 -0.572 -2.638 1.00 0.00 C ATOM 0 H ILE A 94 -11.205 2.779 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.115 1.685 -3.159 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.449 2.573 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.281 0.428 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.992 0.315 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.801 1.639 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.795 3.005 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.317 1.337 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -12.752 -1.559 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -13.468 -0.517 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.730 -0.402 -3.062 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.009 3.842 -4.245 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.857 5.122 -4.916 1.00 0.00 C ATOM 1309 C GLY A 95 -9.574 5.827 -4.471 1.00 0.00 C ATOM 1310 O GLY A 95 -9.397 7.017 -4.722 1.00 0.00 O ATOM 0 H GLY A 95 -10.773 3.030 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.837 4.970 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.718 5.755 -4.699 1.00 0.00 H new ATOM 1314 N LYS A 96 -8.714 5.061 -3.816 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.453 5.598 -3.333 1.00 0.00 C ATOM 1316 C LYS A 96 -6.344 5.262 -4.332 1.00 0.00 C ATOM 1317 O LYS A 96 -6.484 4.339 -5.132 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.169 5.105 -1.913 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.054 5.828 -0.894 1.00 0.00 C ATOM 1320 CD LYS A 96 -7.673 5.438 0.536 1.00 0.00 C ATOM 1321 CE LYS A 96 -8.634 6.065 1.548 1.00 0.00 C ATOM 1322 NZ LYS A 96 -9.908 5.311 1.590 1.00 0.00 N ATOM 0 H LYS A 96 -8.865 4.074 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.504 6.685 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.345 4.031 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.119 5.270 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.954 6.906 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.100 5.582 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.689 4.353 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.654 5.763 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.176 6.072 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.828 7.103 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.473 5.629 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.440 5.479 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.707 4.295 1.684 1.00 0.00 H new ATOM 1332 N THR A 97 -5.269 6.033 -4.256 1.00 0.00 N ATOM 1333 CA THR A 97 -4.137 5.829 -5.144 1.00 0.00 C ATOM 1334 C THR A 97 -2.879 5.500 -4.338 1.00 0.00 C ATOM 1335 O THR A 97 -1.892 6.232 -4.394 1.00 0.00 O ATOM 1336 CB THR A 97 -3.991 7.077 -6.016 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.053 6.693 -7.018 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.300 8.228 -5.281 1.00 0.00 C ATOM 0 H THR A 97 -5.158 6.800 -3.593 1.00 0.00 H new ATOM 0 HA THR A 97 -4.297 4.973 -5.800 1.00 0.00 H new ATOM 0 HB THR A 97 -4.976 7.401 -6.353 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.901 7.444 -7.629 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.222 9.089 -5.945 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.883 8.500 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.302 7.916 -4.973 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.955 4.397 -3.606 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.835 3.962 -2.789 1.00 0.00 C ATOM 1348 C TYR A 98 -1.409 5.060 -1.813 1.00 0.00 C ATOM 1349 O TYR A 98 -1.778 5.031 -0.640 1.00 0.00 O ATOM 1350 CB TYR A 98 -0.686 3.688 -3.761 1.00 0.00 C ATOM 1351 CG TYR A 98 0.683 3.571 -3.090 1.00 0.00 C ATOM 1352 CD1 TYR A 98 0.877 2.661 -2.071 1.00 0.00 C ATOM 1353 CD2 TYR A 98 1.725 4.376 -3.504 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.166 2.553 -1.439 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.015 4.267 -2.871 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.172 3.360 -1.871 1.00 0.00 C ATOM 1357 OH TYR A 98 4.389 3.257 -1.273 1.00 0.00 O ATOM 0 H TYR A 98 -3.775 3.792 -3.562 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.106 3.084 -2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.894 2.765 -4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.650 4.489 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.062 2.030 -1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.574 5.087 -4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.331 1.846 -0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.838 4.892 -3.184 1.00 0.00 H new ATOM 0 HH TYR A 98 5.011 3.893 -1.684 1.00 0.00 H new ATOM 1366 N SER A 99 -0.638 6.005 -2.334 1.00 0.00 N ATOM 1367 CA SER A 99 -0.158 7.111 -1.523 1.00 0.00 C ATOM 1368 C SER A 99 -1.242 7.546 -0.536 1.00 0.00 C ATOM 1369 O SER A 99 -0.939 8.009 0.562 1.00 0.00 O ATOM 1370 CB SER A 99 0.269 8.291 -2.399 1.00 0.00 C ATOM 1371 OG SER A 99 1.336 9.031 -1.814 1.00 0.00 O ATOM 0 H SER A 99 -0.334 6.027 -3.308 1.00 0.00 H new ATOM 0 HA SER A 99 0.716 6.773 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.577 7.923 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.584 8.950 -2.560 1.00 0.00 H new ATOM 0 HG SER A 99 1.581 9.774 -2.404 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.487 7.382 -0.963 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.618 7.752 -0.130 1.00 0.00 C ATOM 1378 C GLN A 100 -3.634 6.914 1.148 1.00 0.00 C ATOM 1379 O GLN A 100 -3.637 7.458 2.252 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.934 7.607 -0.898 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.382 8.950 -1.479 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.608 9.486 -0.738 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -6.814 9.235 0.438 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.409 10.236 -1.489 1.00 0.00 N ATOM 0 H GLN A 100 -2.736 6.998 -1.875 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.511 8.800 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.812 6.882 -1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.706 7.219 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.567 9.670 -1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.615 8.833 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.178 10.407 -2.468 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.255 10.640 -1.086 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.642 5.602 0.958 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.656 4.683 2.083 1.00 0.00 C ATOM 1393 C VAL A 101 -2.384 4.876 2.911 1.00 0.00 C ATOM 1394 O VAL A 101 -2.388 4.658 4.121 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.833 3.248 1.583 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -5.183 3.071 0.887 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.682 2.844 0.659 1.00 0.00 C ATOM 0 H VAL A 101 -3.639 5.154 0.042 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.503 4.892 2.737 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.815 2.587 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.282 2.042 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.986 3.297 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.244 3.747 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.832 1.820 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.654 3.513 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.739 2.911 1.202 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.326 5.284 2.224 1.00 0.00 N ATOM 1408 CA ILE A 102 -0.050 5.508 2.882 1.00 0.00 C ATOM 1409 C ILE A 102 -0.223 6.562 3.977 1.00 0.00 C ATOM 1410 O ILE A 102 0.220 6.366 5.107 1.00 0.00 O ATOM 1411 CB ILE A 102 1.028 5.861 1.854 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.457 4.623 1.063 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.215 6.555 2.521 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.153 3.607 1.971 1.00 0.00 C ATOM 0 H ILE A 102 -1.327 5.465 1.220 1.00 0.00 H new ATOM 0 HA ILE A 102 0.292 4.595 3.369 1.00 0.00 H new ATOM 0 HB ILE A 102 0.602 6.567 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.585 4.163 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.130 4.917 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.966 6.795 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.877 7.473 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.650 5.893 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.448 2.737 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.038 4.062 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.469 3.297 2.761 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.869 7.657 3.603 1.00 0.00 N ATOM 1426 CA ALA A 103 -1.106 8.742 4.539 1.00 0.00 C ATOM 1427 C ALA A 103 -1.878 8.209 5.747 1.00 0.00 C ATOM 1428 O ALA A 103 -1.709 8.699 6.863 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.847 9.876 3.828 1.00 0.00 C ATOM 0 H ALA A 103 -1.235 7.816 2.664 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.162 9.147 4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.025 10.691 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.244 10.239 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.801 9.507 3.451 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.709 7.210 5.484 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.507 6.605 6.536 1.00 0.00 C ATOM 1437 C LEU A 104 -2.584 5.881 7.519 1.00 0.00 C ATOM 1438 O LEU A 104 -2.858 5.837 8.717 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.592 5.708 5.937 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.540 6.376 4.939 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.731 5.469 4.624 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.984 7.750 5.443 1.00 0.00 C ATOM 0 H LEU A 104 -2.846 6.805 4.558 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.036 7.372 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.107 4.868 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.186 5.297 6.753 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.000 6.534 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.390 5.967 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.372 4.534 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.281 5.259 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.657 8.204 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.501 7.638 6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.111 8.388 5.577 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.508 5.331 6.975 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.543 4.610 7.788 1.00 0.00 C ATOM 1455 C ILE A 105 0.356 5.615 8.512 1.00 0.00 C ATOM 1456 O ILE A 105 0.775 5.375 9.643 1.00 0.00 O ATOM 1457 CB ILE A 105 0.226 3.599 6.936 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.683 2.451 6.494 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.469 3.095 7.674 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.386 2.040 5.050 1.00 0.00 C ATOM 0 H ILE A 105 -1.283 5.370 5.981 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.051 4.024 8.554 1.00 0.00 H new ATOM 0 HB ILE A 105 0.569 4.103 6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.542 1.596 7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.726 2.754 6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.998 2.377 7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.126 3.936 7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.169 2.612 8.604 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.046 1.222 4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.551 2.890 4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.651 1.714 4.970 1.00 0.00 H new ATOM 1471 N GLN A 106 0.626 6.719 7.830 1.00 0.00 N ATOM 1472 CA GLN A 106 1.469 7.759 8.394 1.00 0.00 C ATOM 1473 C GLN A 106 0.660 8.633 9.356 1.00 0.00 C ATOM 1474 O GLN A 106 1.216 9.221 10.282 1.00 0.00 O ATOM 1475 CB GLN A 106 2.107 8.606 7.291 1.00 0.00 C ATOM 1476 CG GLN A 106 2.948 7.740 6.352 1.00 0.00 C ATOM 1477 CD GLN A 106 4.342 8.340 6.154 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.009 8.750 7.090 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.745 8.366 4.886 1.00 0.00 N ATOM 0 H GLN A 106 0.276 6.915 6.892 1.00 0.00 H new ATOM 0 HA GLN A 106 2.274 7.283 8.954 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.329 9.115 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.733 9.379 7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.036 6.734 6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.447 7.650 5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.137 8.006 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.662 8.745 4.650 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.639 8.687 9.105 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.530 9.478 9.938 1.00 0.00 C ATOM 1488 C ASN A 107 -2.215 8.564 10.955 1.00 0.00 C ATOM 1489 O ASN A 107 -3.037 9.020 11.750 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.617 10.150 9.098 1.00 0.00 C ATOM 1491 CG ASN A 107 -3.656 9.130 8.629 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -3.749 8.023 9.132 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -4.431 9.564 7.638 1.00 0.00 N ATOM 0 H ASN A 107 -1.097 8.196 8.337 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.935 10.243 10.436 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.105 10.929 9.684 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.165 10.637 8.234 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.156 8.958 7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.300 10.503 7.262 1.00 0.00 H new ATOM 1499 N SER A 108 -1.852 7.291 10.898 1.00 0.00 N ATOM 1500 CA SER A 108 -2.422 6.309 11.805 1.00 0.00 C ATOM 1501 C SER A 108 -1.921 6.558 13.229 1.00 0.00 C ATOM 1502 O SER A 108 -2.451 5.995 14.184 1.00 0.00 O ATOM 1503 CB SER A 108 -2.077 4.885 11.362 1.00 0.00 C ATOM 1504 OG SER A 108 -3.245 4.102 11.130 1.00 0.00 O ATOM 0 H SER A 108 -1.170 6.917 10.238 1.00 0.00 H new ATOM 0 HA SER A 108 -3.507 6.414 11.785 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.479 4.923 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.465 4.406 12.126 1.00 0.00 H new ATOM 0 HG SER A 108 -3.505 3.648 11.959 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.904 7.401 13.325 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.326 7.733 14.616 1.00 0.00 C ATOM 1511 C ASP A 109 0.644 6.625 15.034 1.00 0.00 C ATOM 1512 O ASP A 109 1.221 5.946 14.185 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.407 7.845 15.692 1.00 0.00 C ATOM 1514 CG ASP A 109 -1.114 8.858 16.800 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.127 10.067 16.482 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -0.880 8.401 17.940 1.00 0.00 O ATOM 0 H ASP A 109 -0.465 7.864 12.529 1.00 0.00 H new ATOM 0 HA ASP A 109 0.187 8.690 14.520 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.348 8.115 15.213 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.550 6.864 16.146 1.00 0.00 H new ATOM 1520 N THR A 110 0.793 6.475 16.342 1.00 0.00 N ATOM 1521 CA THR A 110 1.682 5.462 16.883 1.00 0.00 C ATOM 1522 C THR A 110 1.317 4.082 16.331 1.00 0.00 C ATOM 1523 O THR A 110 2.127 3.444 15.660 1.00 0.00 O ATOM 1524 CB THR A 110 1.617 5.540 18.410 1.00 0.00 C ATOM 1525 OG1 THR A 110 2.243 6.783 18.719 1.00 0.00 O ATOM 1526 CG2 THR A 110 2.505 4.497 19.089 1.00 0.00 C ATOM 0 H THR A 110 0.312 7.039 17.043 1.00 0.00 H new ATOM 0 HA THR A 110 2.713 5.639 16.577 1.00 0.00 H new ATOM 0 HB THR A 110 0.586 5.405 18.737 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.243 6.917 19.690 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.421 4.597 20.171 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.186 3.498 18.791 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.542 4.651 18.790 1.00 0.00 H new ATOM 1534 N THR A 111 0.097 3.663 16.632 1.00 0.00 N ATOM 1535 CA THR A 111 -0.385 2.372 16.174 1.00 0.00 C ATOM 1536 C THR A 111 -0.798 2.448 14.703 1.00 0.00 C ATOM 1537 O THR A 111 -0.955 3.537 14.154 1.00 0.00 O ATOM 1538 CB THR A 111 -1.519 1.934 17.102 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.067 3.158 17.583 1.00 0.00 O ATOM 1540 CG2 THR A 111 -1.007 1.233 18.364 1.00 0.00 C ATOM 0 H THR A 111 -0.572 4.195 17.188 1.00 0.00 H new ATOM 0 HA THR A 111 0.401 1.618 16.220 1.00 0.00 H new ATOM 0 HB THR A 111 -2.191 1.266 16.563 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.811 2.967 18.192 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.853 0.943 18.988 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.442 0.344 18.083 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.362 1.912 18.921 1.00 0.00 H new ATOM 1548 N LEU A 112 -0.964 1.277 14.107 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.357 1.196 12.710 1.00 0.00 C ATOM 1550 C LEU A 112 -1.936 -0.191 12.425 1.00 0.00 C ATOM 1551 O LEU A 112 -1.225 -1.192 12.500 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.184 1.571 11.801 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.411 1.382 10.300 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.077 -0.049 9.872 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.836 1.780 9.907 1.00 0.00 C ATOM 0 H LEU A 112 -0.834 0.375 14.566 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.143 1.920 12.494 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.070 2.616 11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.682 0.977 12.095 1.00 0.00 H new ATOM 0 HG LEU A 112 0.268 2.046 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.247 -0.157 8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.968 -0.262 10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.714 -0.749 10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.971 1.636 8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.550 1.160 10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.003 2.828 10.157 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.221 -0.207 12.105 1.00 0.00 N ATOM 1567 CA GLU A 113 -3.904 -1.454 11.809 1.00 0.00 C ATOM 1568 C GLU A 113 -3.945 -1.692 10.299 1.00 0.00 C ATOM 1569 O GLU A 113 -4.188 -0.765 9.527 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.314 -1.462 12.404 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.053 -2.751 12.043 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.568 -2.566 12.161 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -7.980 -1.835 13.088 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.280 -3.159 11.320 1.00 0.00 O ATOM 0 H GLU A 113 -3.808 0.625 12.044 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.346 -2.269 12.270 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.256 -1.363 13.488 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.873 -0.602 12.035 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.797 -3.048 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.729 -3.557 12.702 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.701 -2.938 9.920 1.00 0.00 N ATOM 1580 CA LEU A 114 -3.707 -3.310 8.517 1.00 0.00 C ATOM 1581 C LEU A 114 -4.674 -4.477 8.306 1.00 0.00 C ATOM 1582 O LEU A 114 -5.226 -5.010 9.265 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.284 -3.594 8.031 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.337 -2.392 7.989 1.00 0.00 C ATOM 1585 CD1 LEU A 114 0.124 -2.846 8.015 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.640 -1.498 6.786 1.00 0.00 C ATOM 0 H LEU A 114 -3.498 -3.704 10.562 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.068 -2.483 7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.846 -4.354 8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.342 -4.021 7.030 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.503 -1.792 8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.777 -1.974 7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.314 -3.409 8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.324 -3.479 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.953 -0.652 6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.518 -2.071 5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.665 -1.133 6.853 1.00 0.00 H new ATOM 1597 N SER A 115 -4.847 -4.839 7.043 1.00 0.00 N ATOM 1598 CA SER A 115 -5.737 -5.933 6.694 1.00 0.00 C ATOM 1599 C SER A 115 -5.355 -6.503 5.326 1.00 0.00 C ATOM 1600 O SER A 115 -5.306 -5.773 4.337 1.00 0.00 O ATOM 1601 CB SER A 115 -7.197 -5.474 6.688 1.00 0.00 C ATOM 1602 OG SER A 115 -7.392 -4.301 7.472 1.00 0.00 O ATOM 0 H SER A 115 -4.386 -4.394 6.249 1.00 0.00 H new ATOM 0 HA SER A 115 -5.632 -6.713 7.448 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.512 -5.281 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.830 -6.275 7.070 1.00 0.00 H new ATOM 0 HG SER A 115 -8.235 -4.375 7.967 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.093 -7.802 5.315 1.00 0.00 N ATOM 1608 CA VAL A 116 -4.716 -8.478 4.086 1.00 0.00 C ATOM 1609 C VAL A 116 -5.762 -9.543 3.753 1.00 0.00 C ATOM 1610 O VAL A 116 -6.747 -9.699 4.474 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.302 -9.049 4.214 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.282 -7.937 4.461 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.237 -10.108 5.317 1.00 0.00 C ATOM 0 H VAL A 116 -5.134 -8.404 6.138 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.693 -7.773 3.255 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.049 -9.532 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.286 -8.370 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.301 -7.234 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.532 -7.413 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.222 -10.498 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.520 -9.660 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -3.923 -10.922 5.081 1.00 0.00 H new ATOM 1623 N MET A 117 -5.514 -10.250 2.659 1.00 0.00 N ATOM 1624 CA MET A 117 -6.423 -11.297 2.224 1.00 0.00 C ATOM 1625 C MET A 117 -5.681 -12.619 2.024 1.00 0.00 C ATOM 1626 O MET A 117 -5.067 -12.840 0.982 1.00 0.00 O ATOM 1627 CB MET A 117 -7.087 -10.880 0.909 1.00 0.00 C ATOM 1628 CG MET A 117 -8.544 -10.473 1.135 1.00 0.00 C ATOM 1629 SD MET A 117 -9.625 -11.849 0.782 1.00 0.00 S ATOM 1630 CE MET A 117 -9.830 -12.513 2.426 1.00 0.00 C ATOM 0 H MET A 117 -4.698 -10.118 2.062 1.00 0.00 H new ATOM 0 HA MET A 117 -7.180 -11.440 2.995 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.538 -10.048 0.468 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.042 -11.705 0.197 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.683 -10.146 2.165 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.797 -9.628 0.495 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.283 -13.452 2.510 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.444 -11.802 3.156 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.888 -12.691 2.617 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.765 -13.488 3.068 1.00 0.00 N ATOM 1639 CA PRO A 118 -5.109 -14.783 3.017 1.00 0.00 C ATOM 1640 C PRO A 118 -5.871 -15.749 2.108 1.00 0.00 C ATOM 1641 O PRO A 118 -7.003 -15.473 1.712 1.00 0.00 O ATOM 1642 CB PRO A 118 -5.050 -15.251 4.463 1.00 0.00 C ATOM 1643 CG PRO A 118 -6.083 -14.423 5.212 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.484 -13.260 4.318 1.00 0.00 C ATOM 0 HA PRO A 118 -4.109 -14.731 2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -5.273 -16.315 4.538 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -4.054 -15.104 4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.953 -15.031 5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.671 -14.057 6.152 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.562 -13.238 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.209 -12.304 4.764 1.00 0.00 H new ATOM 1649 N LYS A 119 -5.220 -16.861 1.801 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.821 -17.870 0.945 1.00 0.00 C ATOM 1651 C LYS A 119 -5.503 -19.259 1.501 1.00 0.00 C ATOM 1652 O LYS A 119 -6.401 -20.082 1.678 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.381 -17.671 -0.507 1.00 0.00 C ATOM 1654 CG LYS A 119 -5.398 -18.998 -1.270 1.00 0.00 C ATOM 1655 CD LYS A 119 -6.828 -19.513 -1.442 1.00 0.00 C ATOM 1656 CE LYS A 119 -7.361 -19.194 -2.840 1.00 0.00 C ATOM 1657 NZ LYS A 119 -7.993 -17.855 -2.860 1.00 0.00 N ATOM 0 H LYS A 119 -4.281 -17.086 2.130 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.906 -17.770 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.043 -16.957 -0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.378 -17.245 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.935 -18.865 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.803 -19.738 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.853 -20.590 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.474 -19.060 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.546 -19.229 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.087 -19.950 -3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.881 -17.898 -3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.194 -17.551 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.348 -17.174 -3.309 1.00 0.00 H new ATOM 1667 N ASP A 120 -4.222 -19.480 1.758 1.00 0.00 N ATOM 1668 CA ASP A 120 -3.775 -20.756 2.289 1.00 0.00 C ATOM 1669 C ASP A 120 -2.584 -20.527 3.223 1.00 0.00 C ATOM 1670 O ASP A 120 -2.614 -20.933 4.383 1.00 0.00 O ATOM 1671 CB ASP A 120 -3.322 -21.692 1.167 1.00 0.00 C ATOM 1672 CG ASP A 120 -3.658 -23.168 1.379 1.00 0.00 C ATOM 1673 OD1 ASP A 120 -4.545 -23.434 2.220 1.00 0.00 O ATOM 1674 OD2 ASP A 120 -3.022 -24.000 0.697 1.00 0.00 O ATOM 0 H ASP A 120 -3.480 -18.797 1.608 1.00 0.00 H new ATOM 0 HA ASP A 120 -4.611 -21.210 2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -3.778 -21.362 0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -2.243 -21.595 1.047 1.00 0.00 H new ATOM 1678 N SER A 121 -1.565 -19.875 2.681 1.00 0.00 N ATOM 1679 CA SER A 121 -0.368 -19.586 3.450 1.00 0.00 C ATOM 1680 C SER A 121 -0.750 -19.079 4.843 1.00 0.00 C ATOM 1681 O SER A 121 -1.891 -18.684 5.071 1.00 0.00 O ATOM 1682 CB SER A 121 0.513 -18.561 2.734 1.00 0.00 C ATOM 1683 OG SER A 121 -0.045 -17.251 2.783 1.00 0.00 O ATOM 0 H SER A 121 -1.545 -19.539 1.718 1.00 0.00 H new ATOM 0 HA SER A 121 0.204 -20.508 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.502 -18.551 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.645 -18.860 1.694 1.00 0.00 H new ATOM 0 HG SER A 121 0.548 -16.625 2.317 1.00 0.00 H new ATOM 1688 N GLY A 122 0.229 -19.104 5.736 1.00 0.00 N ATOM 1689 CA GLY A 122 0.008 -18.650 7.099 1.00 0.00 C ATOM 1690 C GLY A 122 0.140 -19.809 8.089 1.00 0.00 C ATOM 1691 O GLY A 122 -0.844 -20.475 8.406 1.00 0.00 O ATOM 0 H GLY A 122 1.176 -19.431 5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 122 0.728 -17.870 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.984 -18.206 7.182 1.00 0.00 H new ATOM 1695 N PRO A 123 1.397 -20.019 8.565 1.00 0.00 N ATOM 1696 CA PRO A 123 1.670 -21.085 9.513 1.00 0.00 C ATOM 1697 C PRO A 123 1.167 -20.718 10.911 1.00 0.00 C ATOM 1698 O PRO A 123 1.111 -19.541 11.266 1.00 0.00 O ATOM 1699 CB PRO A 123 3.177 -21.283 9.459 1.00 0.00 C ATOM 1700 CG PRO A 123 3.741 -20.017 8.834 1.00 0.00 C ATOM 1701 CD PRO A 123 2.587 -19.249 8.212 1.00 0.00 C ATOM 0 HA PRO A 123 1.150 -22.010 9.266 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.586 -21.442 10.457 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.435 -22.160 8.865 1.00 0.00 H new ATOM 0 HG2 PRO A 123 4.241 -19.409 9.588 1.00 0.00 H new ATOM 0 HG3 PRO A 123 4.486 -20.264 8.078 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.531 -18.233 8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.701 -19.169 7.131 1.00 0.00 H new ATOM 1706 N SER A 124 0.812 -21.747 11.666 1.00 0.00 N ATOM 1707 CA SER A 124 0.315 -21.548 13.017 1.00 0.00 C ATOM 1708 C SER A 124 1.333 -22.070 14.032 1.00 0.00 C ATOM 1709 O SER A 124 1.338 -21.645 15.186 1.00 0.00 O ATOM 1710 CB SER A 124 -1.035 -22.240 13.213 1.00 0.00 C ATOM 1711 OG SER A 124 -0.919 -23.420 14.005 1.00 0.00 O ATOM 0 H SER A 124 0.859 -22.721 11.368 1.00 0.00 H new ATOM 0 HA SER A 124 0.171 -20.479 13.175 1.00 0.00 H new ATOM 0 HB2 SER A 124 -1.731 -21.550 13.690 1.00 0.00 H new ATOM 0 HB3 SER A 124 -1.456 -22.496 12.241 1.00 0.00 H new ATOM 0 HG SER A 124 -1.802 -23.832 14.109 1.00 0.00 H new ATOM 1716 N SER A 125 2.169 -22.984 13.565 1.00 0.00 N ATOM 1717 CA SER A 125 3.190 -23.571 14.418 1.00 0.00 C ATOM 1718 C SER A 125 4.470 -23.810 13.614 1.00 0.00 C ATOM 1719 O SER A 125 4.416 -24.302 12.489 1.00 0.00 O ATOM 1720 CB SER A 125 2.703 -24.880 15.042 1.00 0.00 C ATOM 1721 OG SER A 125 2.002 -24.661 16.264 1.00 0.00 O ATOM 0 H SER A 125 2.161 -23.333 12.607 1.00 0.00 H new ATOM 0 HA SER A 125 3.402 -22.872 15.227 1.00 0.00 H new ATOM 0 HB2 SER A 125 2.051 -25.397 14.338 1.00 0.00 H new ATOM 0 HB3 SER A 125 3.556 -25.534 15.225 1.00 0.00 H new ATOM 0 HG SER A 125 1.664 -23.742 16.287 1.00 0.00 H new ATOM 1726 N GLY A 126 5.590 -23.450 14.224 1.00 0.00 N ATOM 1727 CA GLY A 126 6.880 -23.619 13.579 1.00 0.00 C ATOM 1728 C GLY A 126 6.962 -22.799 12.291 1.00 0.00 C ATOM 1729 O GLY A 126 7.141 -23.353 11.208 1.00 0.00 O ATOM 0 H GLY A 126 5.630 -23.042 15.158 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.674 -23.313 14.260 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.042 -24.673 13.354 1.00 0.00 H new TER 1733 GLY A 126