USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 831 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 137 TYR OH : rot -75:sc= -2.84! USER MOD Set 1.2: A 139 TYR OH : rot -81:sc= 1.58 USER MOD Set 2.1: A 54 SER OG : rot 167:sc= 0.92 USER MOD Set 2.2: A 63 ASN : amide:sc= -8.87! C(o=-7.9!,f=-26!) USER MOD Set 3.1: A 32 SER OG : rot 178:sc= -4.3! USER MOD Set 3.2: A 56 LYS NZ :NH3+ -176:sc= 0.328 (180deg=0) USER MOD Set 4.1: A 1 GLU N :NH3+ -154:sc= -2.05 (180deg=-3.86!) USER MOD Set 4.2: A 68 CYS SG : rot 26:sc= -9.24! USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= 1.26 K(o=1.3,f=-0.00016) USER MOD Single : A 11 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.152) USER MOD Single : A 13 GLN : amide:sc= -7.4! C(o=-7.4!,f=-2.8!) USER MOD Single : A 15 SER OG : rot 93:sc= -0.495 USER MOD Single : A 18 TYR OH : rot -109:sc= -4.23! USER MOD Single : A 20 SER OG : rot 180:sc= -0.0861 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.621 USER MOD Single : A 28 ASN : amide:sc= -8.02! C(o=-8!,f=-5.5!) USER MOD Single : A 38 THR OG1 : rot 72:sc= -1.11 USER MOD Single : A 44 SER OG : rot -13:sc= -0.913 USER MOD Single : A 49 HIS : no HD1:sc= -7.32! C(o=-7.3!,f=-8.9!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0529 USER MOD Single : A 57 THR OG1 : rot 110:sc= -0.0264 USER MOD Single : A 58 GLN : amide:sc= -0.949 K(o=-0.95,f=0) USER MOD Single : A 59 SER OG : rot 75:sc= 0.841 USER MOD Single : A 61 THR OG1 : rot -6:sc= 0.905 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.16! K(o=-2.2!,f=-0.75) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -60:sc= 0.975 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 97 HIS : no HD1:sc= -8.69! C(o=-8.7!,f=-18!) USER MOD Single : A 98 TYR OH : rot 112:sc= 1.2! USER MOD Single : A 99 MET CE :methyl 153:sc= -1.28 (180deg=-2.59!) USER MOD Single : A 136 TYR OH : rot 55:sc= -6.66! USER MOD Single : A 140 SER OG : rot 180:sc= -0.215 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot 62:sc= 0.28 USER MOD Single : A 154 SER OG : rot -160:sc= 0 USER MOD Single : B 165 SER OG : rot 120:sc= -1.74! USER MOD Single : B 166 THR OG1 : rot 22:sc= 0.678! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -6.011 -21.452 8.627 1.00 0.00 N ATOM 2 CA GLU A 1 -4.705 -20.799 8.316 1.00 0.00 C ATOM 3 C GLU A 1 -4.699 -20.299 6.870 1.00 0.00 C ATOM 4 O GLU A 1 -4.889 -19.127 6.607 1.00 0.00 O ATOM 5 CB GLU A 1 -3.656 -21.897 8.508 1.00 0.00 C ATOM 6 CG GLU A 1 -2.797 -21.575 9.732 1.00 0.00 C ATOM 7 CD GLU A 1 -1.355 -22.018 9.475 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.163 -23.175 9.141 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.468 -21.192 9.617 1.00 0.00 O ATOM 0 H1 GLU A 1 -6.195 -21.392 9.649 1.00 0.00 H new ATOM 0 H2 GLU A 1 -6.773 -20.969 8.109 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.977 -22.451 8.340 1.00 0.00 H new ATOM 0 HA GLU A 1 -4.512 -19.936 8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -4.145 -22.863 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -3.028 -21.974 7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -2.828 -20.506 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -3.193 -22.083 10.611 1.00 0.00 H new ATOM 15 N TYR A 2 -4.485 -21.177 5.930 1.00 0.00 N ATOM 16 CA TYR A 2 -4.470 -20.753 4.501 1.00 0.00 C ATOM 17 C TYR A 2 -5.835 -20.174 4.110 1.00 0.00 C ATOM 18 O TYR A 2 -5.923 -19.120 3.511 1.00 0.00 O ATOM 19 CB TYR A 2 -4.170 -22.036 3.717 1.00 0.00 C ATOM 20 CG TYR A 2 -4.944 -22.045 2.419 1.00 0.00 C ATOM 21 CD1 TYR A 2 -4.912 -20.928 1.577 1.00 0.00 C ATOM 22 CD2 TYR A 2 -5.697 -23.170 2.062 1.00 0.00 C ATOM 23 CE1 TYR A 2 -5.630 -20.936 0.375 1.00 0.00 C ATOM 24 CE2 TYR A 2 -6.415 -23.179 0.861 1.00 0.00 C ATOM 25 CZ TYR A 2 -6.383 -22.061 0.017 1.00 0.00 C ATOM 26 OH TYR A 2 -7.091 -22.070 -1.166 1.00 0.00 O ATOM 0 H TYR A 2 -4.320 -22.171 6.089 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.733 -19.975 4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -3.102 -22.105 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.437 -22.907 4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -4.333 -20.059 1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.724 -24.031 2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -5.603 -20.075 -0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -6.994 -24.048 0.585 1.00 0.00 H new ATOM 0 HH TYR A 2 -7.558 -22.927 -1.262 1.00 0.00 H new ATOM 36 N GLN A 3 -6.895 -20.857 4.441 1.00 0.00 N ATOM 37 CA GLN A 3 -8.253 -20.350 4.085 1.00 0.00 C ATOM 38 C GLN A 3 -8.575 -19.076 4.874 1.00 0.00 C ATOM 39 O GLN A 3 -9.265 -18.198 4.395 1.00 0.00 O ATOM 40 CB GLN A 3 -9.209 -21.476 4.478 1.00 0.00 C ATOM 41 CG GLN A 3 -9.288 -22.499 3.343 1.00 0.00 C ATOM 42 CD GLN A 3 -10.633 -22.365 2.626 1.00 0.00 C ATOM 43 OE1 GLN A 3 -10.956 -21.315 2.107 1.00 0.00 O ATOM 44 NE2 GLN A 3 -11.436 -23.392 2.576 1.00 0.00 N ATOM 0 H GLN A 3 -6.881 -21.745 4.943 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.331 -20.094 3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.863 -21.958 5.393 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.199 -21.071 4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -8.471 -22.340 2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -9.175 -23.508 3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.165 -24.273 3.012 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.335 -23.314 2.101 1.00 0.00 H new ATOM 53 N LEU A 4 -8.087 -18.970 6.080 1.00 0.00 N ATOM 54 CA LEU A 4 -8.376 -17.754 6.896 1.00 0.00 C ATOM 55 C LEU A 4 -7.919 -16.494 6.154 1.00 0.00 C ATOM 56 O LEU A 4 -8.644 -15.523 6.057 1.00 0.00 O ATOM 57 CB LEU A 4 -7.569 -17.939 8.180 1.00 0.00 C ATOM 58 CG LEU A 4 -8.204 -19.040 9.028 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.381 -19.241 10.300 1.00 0.00 C ATOM 60 CD2 LEU A 4 -9.631 -18.634 9.402 1.00 0.00 C ATOM 0 H LEU A 4 -7.502 -19.670 6.536 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.441 -17.636 7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.538 -18.199 7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.539 -17.005 8.741 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.227 -19.970 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.833 -20.026 10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.364 -19.529 10.034 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.358 -18.312 10.869 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.086 -19.418 10.007 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.608 -17.705 9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.218 -18.489 8.495 1.00 0.00 H new ATOM 72 N VAL A 5 -6.725 -16.502 5.630 1.00 0.00 N ATOM 73 CA VAL A 5 -6.227 -15.303 4.896 1.00 0.00 C ATOM 74 C VAL A 5 -7.126 -15.013 3.691 1.00 0.00 C ATOM 75 O VAL A 5 -7.531 -13.891 3.463 1.00 0.00 O ATOM 76 CB VAL A 5 -4.814 -15.677 4.445 1.00 0.00 C ATOM 77 CG1 VAL A 5 -4.429 -14.851 3.214 1.00 0.00 C ATOM 78 CG2 VAL A 5 -3.829 -15.385 5.579 1.00 0.00 C ATOM 0 H VAL A 5 -6.073 -17.285 5.678 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.230 -14.404 5.513 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.783 -16.737 4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.422 -15.120 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.131 -15.054 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.459 -13.790 3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.820 -15.650 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.864 -14.324 5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.100 -15.972 6.456 1.00 0.00 H new ATOM 88 N VAL A 6 -7.439 -16.017 2.919 1.00 0.00 N ATOM 89 CA VAL A 6 -8.312 -15.799 1.731 1.00 0.00 C ATOM 90 C VAL A 6 -9.660 -15.217 2.167 1.00 0.00 C ATOM 91 O VAL A 6 -10.180 -14.305 1.556 1.00 0.00 O ATOM 92 CB VAL A 6 -8.499 -17.185 1.117 1.00 0.00 C ATOM 93 CG1 VAL A 6 -9.455 -17.092 -0.074 1.00 0.00 C ATOM 94 CG2 VAL A 6 -7.145 -17.718 0.642 1.00 0.00 C ATOM 0 H VAL A 6 -7.128 -16.978 3.059 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.877 -15.096 1.021 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.915 -17.860 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.588 -18.081 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.419 -16.711 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.039 -16.417 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.277 -18.707 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.730 -17.042 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.463 -17.785 1.489 1.00 0.00 H new ATOM 104 N ASN A 7 -10.226 -15.735 3.222 1.00 0.00 N ATOM 105 CA ASN A 7 -11.537 -15.207 3.698 1.00 0.00 C ATOM 106 C ASN A 7 -11.380 -13.758 4.166 1.00 0.00 C ATOM 107 O ASN A 7 -12.226 -12.920 3.923 1.00 0.00 O ATOM 108 CB ASN A 7 -11.927 -16.111 4.869 1.00 0.00 C ATOM 109 CG ASN A 7 -12.685 -17.331 4.342 1.00 0.00 C ATOM 110 OD1 ASN A 7 -13.894 -17.302 4.214 1.00 0.00 O ATOM 111 ND2 ASN A 7 -12.022 -18.410 4.027 1.00 0.00 N ATOM 0 H ASN A 7 -9.839 -16.500 3.775 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.294 -15.209 2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.035 -16.429 5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.548 -15.561 5.576 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.518 -19.228 3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.008 -18.435 4.134 1.00 0.00 H new ATOM 118 N ALA A 8 -10.299 -13.456 4.832 1.00 0.00 N ATOM 119 CA ALA A 8 -10.082 -12.062 5.313 1.00 0.00 C ATOM 120 C ALA A 8 -9.702 -11.157 4.141 1.00 0.00 C ATOM 121 O ALA A 8 -10.207 -10.061 3.997 1.00 0.00 O ATOM 122 CB ALA A 8 -8.919 -12.163 6.294 1.00 0.00 C ATOM 0 H ALA A 8 -9.556 -14.115 5.064 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.975 -11.640 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.695 -11.175 6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.188 -12.834 7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.041 -12.553 5.779 1.00 0.00 H new ATOM 128 N VAL A 9 -8.822 -11.616 3.295 1.00 0.00 N ATOM 129 CA VAL A 9 -8.414 -10.792 2.125 1.00 0.00 C ATOM 130 C VAL A 9 -9.646 -10.451 1.291 1.00 0.00 C ATOM 131 O VAL A 9 -9.791 -9.352 0.793 1.00 0.00 O ATOM 132 CB VAL A 9 -7.453 -11.674 1.328 1.00 0.00 C ATOM 133 CG1 VAL A 9 -7.050 -10.956 0.040 1.00 0.00 C ATOM 134 CG2 VAL A 9 -6.204 -11.954 2.167 1.00 0.00 C ATOM 0 H VAL A 9 -8.368 -12.527 3.364 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.945 -9.852 2.417 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.944 -12.615 1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.365 -11.585 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.939 -10.755 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.559 -10.015 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.518 -12.583 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.713 -11.013 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.490 -12.466 3.086 1.00 0.00 H new ATOM 144 N ARG A 10 -10.536 -11.391 1.137 1.00 0.00 N ATOM 145 CA ARG A 10 -11.767 -11.131 0.335 1.00 0.00 C ATOM 146 C ARG A 10 -12.509 -9.913 0.892 1.00 0.00 C ATOM 147 O ARG A 10 -12.963 -9.062 0.155 1.00 0.00 O ATOM 148 CB ARG A 10 -12.614 -12.394 0.489 1.00 0.00 C ATOM 149 CG ARG A 10 -12.901 -12.988 -0.892 1.00 0.00 C ATOM 150 CD ARG A 10 -14.412 -13.051 -1.118 1.00 0.00 C ATOM 151 NE ARG A 10 -14.644 -14.350 -1.809 1.00 0.00 N ATOM 152 CZ ARG A 10 -15.832 -14.651 -2.258 1.00 0.00 C ATOM 153 NH1 ARG A 10 -16.821 -13.812 -2.102 1.00 0.00 N ATOM 154 NH2 ARG A 10 -16.032 -15.789 -2.862 1.00 0.00 N ATOM 0 H ARG A 10 -10.465 -12.329 1.531 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.544 -10.917 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.090 -13.122 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.549 -12.158 0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.432 -12.380 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.470 -13.986 -0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.955 -13.004 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.756 -12.214 -1.726 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.873 -15.006 -1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.665 -12.922 -1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.749 -14.047 -2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.260 -16.444 -2.984 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.961 -16.024 -3.213 1.00 0.00 H new ATOM 168 N LYS A 11 -12.633 -9.823 2.188 1.00 0.00 N ATOM 169 CA LYS A 11 -13.342 -8.658 2.789 1.00 0.00 C ATOM 170 C LYS A 11 -12.426 -7.432 2.794 1.00 0.00 C ATOM 171 O LYS A 11 -12.834 -6.339 2.457 1.00 0.00 O ATOM 172 CB LYS A 11 -13.672 -9.088 4.219 1.00 0.00 C ATOM 173 CG LYS A 11 -14.891 -8.310 4.717 1.00 0.00 C ATOM 174 CD LYS A 11 -16.140 -9.186 4.598 1.00 0.00 C ATOM 175 CE LYS A 11 -17.359 -8.409 5.101 1.00 0.00 C ATOM 176 NZ LYS A 11 -17.292 -8.508 6.586 1.00 0.00 N ATOM 0 H LYS A 11 -12.274 -10.505 2.856 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.238 -8.385 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.873 -10.159 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.818 -8.904 4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.744 -8.007 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.017 -7.398 4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.289 -9.486 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.013 -10.100 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.328 -7.370 4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.286 -8.837 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.192 -8.882 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.517 -9.146 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.121 -7.565 6.989 1.00 0.00 H new ATOM 190 N LEU A 12 -11.189 -7.607 3.173 1.00 0.00 N ATOM 191 CA LEU A 12 -10.245 -6.453 3.198 1.00 0.00 C ATOM 192 C LEU A 12 -9.995 -5.949 1.774 1.00 0.00 C ATOM 193 O LEU A 12 -9.958 -4.761 1.523 1.00 0.00 O ATOM 194 CB LEU A 12 -8.957 -7.009 3.808 1.00 0.00 C ATOM 195 CG LEU A 12 -7.915 -5.895 3.914 1.00 0.00 C ATOM 196 CD1 LEU A 12 -8.489 -4.732 4.725 1.00 0.00 C ATOM 197 CD2 LEU A 12 -6.664 -6.432 4.614 1.00 0.00 C ATOM 0 H LEU A 12 -10.791 -8.499 3.466 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.633 -5.610 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.160 -7.425 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.573 -7.822 3.192 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.654 -5.548 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.745 -3.939 4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.381 -4.348 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.751 -5.080 5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.921 -5.638 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.927 -6.780 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.252 -7.261 4.038 1.00 0.00 H new ATOM 209 N GLN A 13 -9.825 -6.845 0.839 1.00 0.00 N ATOM 210 CA GLN A 13 -9.579 -6.418 -0.568 1.00 0.00 C ATOM 211 C GLN A 13 -10.834 -5.762 -1.150 1.00 0.00 C ATOM 212 O GLN A 13 -10.758 -4.794 -1.880 1.00 0.00 O ATOM 213 CB GLN A 13 -9.242 -7.707 -1.321 1.00 0.00 C ATOM 214 CG GLN A 13 -10.533 -8.452 -1.674 1.00 0.00 C ATOM 215 CD GLN A 13 -10.196 -9.691 -2.506 1.00 0.00 C ATOM 216 OE1 GLN A 13 -10.573 -9.784 -3.658 1.00 0.00 O ATOM 217 NE2 GLN A 13 -9.496 -10.653 -1.969 1.00 0.00 N ATOM 0 H GLN A 13 -9.846 -7.854 0.989 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.777 -5.684 -0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.685 -7.474 -2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.601 -8.341 -0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.058 -8.744 -0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.202 -7.797 -2.232 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.180 -10.575 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.265 -11.483 -2.516 1.00 0.00 H new ATOM 226 N GLU A 14 -11.988 -6.283 -0.836 1.00 0.00 N ATOM 227 CA GLU A 14 -13.247 -5.690 -1.372 1.00 0.00 C ATOM 228 C GLU A 14 -13.351 -4.218 -0.966 1.00 0.00 C ATOM 229 O GLU A 14 -13.684 -3.365 -1.765 1.00 0.00 O ATOM 230 CB GLU A 14 -14.373 -6.503 -0.734 1.00 0.00 C ATOM 231 CG GLU A 14 -15.660 -6.312 -1.540 1.00 0.00 C ATOM 232 CD GLU A 14 -16.412 -5.085 -1.018 1.00 0.00 C ATOM 233 OE1 GLU A 14 -15.840 -4.359 -0.223 1.00 0.00 O ATOM 234 OE2 GLU A 14 -17.546 -4.894 -1.425 1.00 0.00 O ATOM 0 H GLU A 14 -12.114 -7.094 -0.231 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.288 -5.724 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.103 -7.559 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.526 -6.185 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.424 -6.185 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.288 -7.199 -1.458 1.00 0.00 H new ATOM 241 N SER A 15 -13.068 -3.913 0.270 1.00 0.00 N ATOM 242 CA SER A 15 -13.151 -2.496 0.725 1.00 0.00 C ATOM 243 C SER A 15 -12.265 -1.609 -0.153 1.00 0.00 C ATOM 244 O SER A 15 -12.512 -0.431 -0.311 1.00 0.00 O ATOM 245 CB SER A 15 -12.636 -2.512 2.164 1.00 0.00 C ATOM 246 OG SER A 15 -12.710 -3.836 2.675 1.00 0.00 O ATOM 0 H SER A 15 -12.783 -4.583 0.985 1.00 0.00 H new ATOM 0 HA SER A 15 -14.164 -2.098 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.607 -2.154 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.229 -1.838 2.782 1.00 0.00 H new ATOM 0 HG SER A 15 -11.855 -4.292 2.528 1.00 0.00 H new ATOM 252 N GLY A 16 -11.233 -2.167 -0.726 1.00 0.00 N ATOM 253 CA GLY A 16 -10.333 -1.357 -1.593 1.00 0.00 C ATOM 254 C GLY A 16 -9.151 -0.846 -0.768 1.00 0.00 C ATOM 255 O GLY A 16 -8.616 0.214 -1.023 1.00 0.00 O ATOM 0 H GLY A 16 -10.975 -3.149 -0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.974 -1.961 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.881 -0.518 -2.020 1.00 0.00 H new ATOM 259 N PHE A 17 -8.738 -1.593 0.220 1.00 0.00 N ATOM 260 CA PHE A 17 -7.590 -1.148 1.060 1.00 0.00 C ATOM 261 C PHE A 17 -6.555 -2.270 1.181 1.00 0.00 C ATOM 262 O PHE A 17 -5.613 -2.178 1.942 1.00 0.00 O ATOM 263 CB PHE A 17 -8.196 -0.827 2.427 1.00 0.00 C ATOM 264 CG PHE A 17 -7.249 0.053 3.211 1.00 0.00 C ATOM 265 CD1 PHE A 17 -5.966 0.325 2.716 1.00 0.00 C ATOM 266 CD2 PHE A 17 -7.655 0.598 4.435 1.00 0.00 C ATOM 267 CE1 PHE A 17 -5.092 1.139 3.446 1.00 0.00 C ATOM 268 CE2 PHE A 17 -6.781 1.412 5.164 1.00 0.00 C ATOM 269 CZ PHE A 17 -5.499 1.683 4.669 1.00 0.00 C ATOM 0 H PHE A 17 -9.145 -2.491 0.481 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.076 -0.288 0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.155 -0.324 2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.389 -1.749 2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.652 -0.094 1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.644 0.390 4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.103 1.347 3.065 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.095 1.831 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.825 2.312 5.231 1.00 0.00 H new ATOM 279 N TYR A 18 -6.722 -3.329 0.437 1.00 0.00 N ATOM 280 CA TYR A 18 -5.745 -4.451 0.513 1.00 0.00 C ATOM 281 C TYR A 18 -4.630 -4.249 -0.516 1.00 0.00 C ATOM 282 O TYR A 18 -4.877 -3.892 -1.651 1.00 0.00 O ATOM 283 CB TYR A 18 -6.549 -5.708 0.185 1.00 0.00 C ATOM 284 CG TYR A 18 -5.732 -6.930 0.535 1.00 0.00 C ATOM 285 CD1 TYR A 18 -4.510 -7.164 -0.109 1.00 0.00 C ATOM 286 CD2 TYR A 18 -6.196 -7.827 1.503 1.00 0.00 C ATOM 287 CE1 TYR A 18 -3.753 -8.297 0.218 1.00 0.00 C ATOM 288 CE2 TYR A 18 -5.439 -8.959 1.830 1.00 0.00 C ATOM 289 CZ TYR A 18 -4.218 -9.193 1.187 1.00 0.00 C ATOM 290 OH TYR A 18 -3.472 -10.308 1.509 1.00 0.00 O ATOM 0 H TYR A 18 -7.491 -3.465 -0.219 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.271 -4.516 1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.485 -5.710 0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.809 -5.721 -0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.152 -6.472 -0.857 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.139 -7.646 1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.811 -8.479 -0.278 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.797 -9.651 2.578 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.915 -11.110 1.160 1.00 0.00 H new ATOM 300 N TRP A 19 -3.406 -4.472 -0.126 1.00 0.00 N ATOM 301 CA TRP A 19 -2.278 -4.291 -1.083 1.00 0.00 C ATOM 302 C TRP A 19 -1.696 -5.649 -1.482 1.00 0.00 C ATOM 303 O TRP A 19 -1.611 -6.560 -0.683 1.00 0.00 O ATOM 304 CB TRP A 19 -1.241 -3.471 -0.318 1.00 0.00 C ATOM 305 CG TRP A 19 -1.395 -2.026 -0.663 1.00 0.00 C ATOM 306 CD1 TRP A 19 -2.149 -1.139 0.026 1.00 0.00 C ATOM 307 CD2 TRP A 19 -0.794 -1.286 -1.765 1.00 0.00 C ATOM 308 NE1 TRP A 19 -2.047 0.100 -0.581 1.00 0.00 N ATOM 309 CE2 TRP A 19 -1.224 0.060 -1.690 1.00 0.00 C ATOM 310 CE3 TRP A 19 0.073 -1.648 -2.811 1.00 0.00 C ATOM 311 CZ2 TRP A 19 -0.808 1.013 -2.621 1.00 0.00 C ATOM 312 CZ3 TRP A 19 0.494 -0.691 -3.750 1.00 0.00 C ATOM 313 CH2 TRP A 19 0.053 0.637 -3.654 1.00 0.00 C ATOM 0 H TRP A 19 -3.138 -4.771 0.812 1.00 0.00 H new ATOM 0 HA TRP A 19 -2.593 -3.799 -2.003 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -1.367 -3.615 0.755 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -0.236 -3.811 -0.569 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.735 -1.362 0.906 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.521 0.940 -0.250 1.00 0.00 H new ATOM 0 HE3 TRP A 19 0.418 -2.668 -2.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.150 2.035 -2.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.160 -0.979 -4.549 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.379 1.368 -4.379 1.00 0.00 H new ATOM 324 N SER A 20 -1.291 -5.789 -2.714 1.00 0.00 N ATOM 325 CA SER A 20 -0.708 -7.083 -3.168 1.00 0.00 C ATOM 326 C SER A 20 0.318 -6.832 -4.273 1.00 0.00 C ATOM 327 O SER A 20 -0.024 -6.443 -5.373 1.00 0.00 O ATOM 328 CB SER A 20 -1.889 -7.889 -3.706 1.00 0.00 C ATOM 329 OG SER A 20 -3.097 -7.184 -3.458 1.00 0.00 O ATOM 0 H SER A 20 -1.339 -5.062 -3.427 1.00 0.00 H new ATOM 0 HA SER A 20 -0.194 -7.610 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.769 -8.060 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.922 -8.868 -3.228 1.00 0.00 H new ATOM 0 HG SER A 20 -3.854 -7.701 -3.804 1.00 0.00 H new ATOM 335 N ALA A 21 1.572 -7.050 -3.992 1.00 0.00 N ATOM 336 CA ALA A 21 2.613 -6.818 -5.035 1.00 0.00 C ATOM 337 C ALA A 21 4.020 -6.927 -4.437 1.00 0.00 C ATOM 338 O ALA A 21 4.980 -7.165 -5.142 1.00 0.00 O ATOM 339 CB ALA A 21 2.357 -5.397 -5.540 1.00 0.00 C ATOM 0 H ALA A 21 1.921 -7.377 -3.091 1.00 0.00 H new ATOM 0 HA ALA A 21 2.557 -7.557 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.084 -5.149 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.351 -5.334 -5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.453 -4.694 -4.713 1.00 0.00 H new ATOM 345 N VAL A 22 4.157 -6.756 -3.150 1.00 0.00 N ATOM 346 CA VAL A 22 5.511 -6.854 -2.536 1.00 0.00 C ATOM 347 C VAL A 22 5.546 -7.993 -1.518 1.00 0.00 C ATOM 348 O VAL A 22 4.709 -8.872 -1.522 1.00 0.00 O ATOM 349 CB VAL A 22 5.751 -5.504 -1.848 1.00 0.00 C ATOM 350 CG1 VAL A 22 6.593 -4.611 -2.760 1.00 0.00 C ATOM 351 CG2 VAL A 22 4.413 -4.816 -1.563 1.00 0.00 C ATOM 0 H VAL A 22 3.396 -6.554 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 22 6.281 -7.066 -3.278 1.00 0.00 H new ATOM 0 HB VAL A 22 6.276 -5.672 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.764 -3.651 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.550 -5.093 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.066 -4.451 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.593 -3.858 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.882 -4.651 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.810 -5.448 -0.911 1.00 0.00 H new ATOM 361 N THR A 23 6.511 -7.982 -0.644 1.00 0.00 N ATOM 362 CA THR A 23 6.605 -9.063 0.378 1.00 0.00 C ATOM 363 C THR A 23 5.897 -8.628 1.662 1.00 0.00 C ATOM 364 O THR A 23 5.587 -7.470 1.848 1.00 0.00 O ATOM 365 CB THR A 23 8.104 -9.248 0.627 1.00 0.00 C ATOM 366 OG1 THR A 23 8.835 -8.650 -0.435 1.00 0.00 O ATOM 367 CG2 THR A 23 8.430 -10.741 0.698 1.00 0.00 C ATOM 0 H THR A 23 7.240 -7.271 -0.592 1.00 0.00 H new ATOM 0 HA THR A 23 6.133 -9.989 0.048 1.00 0.00 H new ATOM 0 HB THR A 23 8.379 -8.774 1.569 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.795 -8.766 -0.277 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.497 -10.872 0.875 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.868 -11.198 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.157 -11.218 -0.243 1.00 0.00 H new ATOM 375 N GLY A 24 5.638 -9.545 2.549 1.00 0.00 N ATOM 376 CA GLY A 24 4.948 -9.178 3.815 1.00 0.00 C ATOM 377 C GLY A 24 5.564 -7.900 4.387 1.00 0.00 C ATOM 378 O GLY A 24 5.076 -6.811 4.163 1.00 0.00 O ATOM 0 H GLY A 24 5.874 -10.533 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.884 -9.029 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.036 -9.990 4.537 1.00 0.00 H new ATOM 382 N GLY A 25 6.628 -8.030 5.128 1.00 0.00 N ATOM 383 CA GLY A 25 7.278 -6.831 5.734 1.00 0.00 C ATOM 384 C GLY A 25 7.746 -5.868 4.645 1.00 0.00 C ATOM 385 O GLY A 25 7.602 -4.667 4.766 1.00 0.00 O ATOM 0 H GLY A 25 7.079 -8.919 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.576 -6.326 6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.127 -7.140 6.344 1.00 0.00 H new ATOM 389 N GLU A 26 8.314 -6.372 3.586 1.00 0.00 N ATOM 390 CA GLU A 26 8.794 -5.464 2.508 1.00 0.00 C ATOM 391 C GLU A 26 7.632 -4.645 1.952 1.00 0.00 C ATOM 392 O GLU A 26 7.811 -3.548 1.461 1.00 0.00 O ATOM 393 CB GLU A 26 9.370 -6.383 1.432 1.00 0.00 C ATOM 394 CG GLU A 26 10.466 -7.260 2.042 1.00 0.00 C ATOM 395 CD GLU A 26 11.767 -7.067 1.259 1.00 0.00 C ATOM 396 OE1 GLU A 26 11.696 -6.587 0.139 1.00 0.00 O ATOM 397 OE2 GLU A 26 12.812 -7.403 1.792 1.00 0.00 O ATOM 0 H GLU A 26 8.466 -7.367 3.420 1.00 0.00 H new ATOM 0 HA GLU A 26 9.537 -4.754 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.581 -7.008 1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.778 -5.791 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.617 -6.997 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.165 -8.307 2.016 1.00 0.00 H new ATOM 404 N ALA A 27 6.440 -5.161 2.030 1.00 0.00 N ATOM 405 CA ALA A 27 5.273 -4.401 1.511 1.00 0.00 C ATOM 406 C ALA A 27 4.864 -3.321 2.513 1.00 0.00 C ATOM 407 O ALA A 27 4.600 -2.192 2.153 1.00 0.00 O ATOM 408 CB ALA A 27 4.160 -5.435 1.355 1.00 0.00 C ATOM 0 H ALA A 27 6.224 -6.074 2.430 1.00 0.00 H new ATOM 0 HA ALA A 27 5.493 -3.898 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.262 -4.948 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.477 -6.209 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.945 -5.887 2.323 1.00 0.00 H new ATOM 414 N ASN A 28 4.810 -3.661 3.771 1.00 0.00 N ATOM 415 CA ASN A 28 4.418 -2.651 4.799 1.00 0.00 C ATOM 416 C ASN A 28 5.506 -1.584 4.945 1.00 0.00 C ATOM 417 O ASN A 28 5.235 -0.404 4.951 1.00 0.00 O ATOM 418 CB ASN A 28 4.260 -3.436 6.102 1.00 0.00 C ATOM 419 CG ASN A 28 3.590 -4.781 5.814 1.00 0.00 C ATOM 420 OD1 ASN A 28 2.476 -4.831 5.333 1.00 0.00 O ATOM 421 ND2 ASN A 28 4.234 -5.879 6.092 1.00 0.00 N ATOM 0 H ASN A 28 5.019 -4.591 4.133 1.00 0.00 H new ATOM 0 HA ASN A 28 3.500 -2.131 4.526 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.235 -3.595 6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.662 -2.865 6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.803 -6.784 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.170 -5.833 6.496 1.00 0.00 H new ATOM 428 N LEU A 29 6.733 -1.998 5.075 1.00 0.00 N ATOM 429 CA LEU A 29 7.845 -1.018 5.240 1.00 0.00 C ATOM 430 C LEU A 29 7.918 -0.063 4.045 1.00 0.00 C ATOM 431 O LEU A 29 8.288 1.085 4.186 1.00 0.00 O ATOM 432 CB LEU A 29 9.109 -1.870 5.341 1.00 0.00 C ATOM 433 CG LEU A 29 9.415 -2.159 6.815 1.00 0.00 C ATOM 434 CD1 LEU A 29 8.106 -2.355 7.590 1.00 0.00 C ATOM 435 CD2 LEU A 29 10.262 -3.429 6.917 1.00 0.00 C ATOM 0 H LEU A 29 7.017 -2.978 5.074 1.00 0.00 H new ATOM 0 HA LEU A 29 7.707 -0.388 6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.975 -2.805 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.949 -1.350 4.880 1.00 0.00 H new ATOM 0 HG LEU A 29 9.961 -1.318 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.330 -2.560 8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.502 -1.450 7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.554 -3.194 7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.481 -3.637 7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.714 -4.267 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.195 -3.289 6.372 1.00 0.00 H new ATOM 447 N LEU A 30 7.572 -0.517 2.872 1.00 0.00 N ATOM 448 CA LEU A 30 7.633 0.391 1.689 1.00 0.00 C ATOM 449 C LEU A 30 6.791 1.635 1.960 1.00 0.00 C ATOM 450 O LEU A 30 7.048 2.698 1.430 1.00 0.00 O ATOM 451 CB LEU A 30 7.061 -0.420 0.522 1.00 0.00 C ATOM 452 CG LEU A 30 5.536 -0.286 0.486 1.00 0.00 C ATOM 453 CD1 LEU A 30 5.153 1.018 -0.217 1.00 0.00 C ATOM 454 CD2 LEU A 30 4.939 -1.469 -0.280 1.00 0.00 C ATOM 0 H LEU A 30 7.253 -1.467 2.681 1.00 0.00 H new ATOM 0 HA LEU A 30 8.646 0.729 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.487 -0.069 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.339 -1.469 0.627 1.00 0.00 H new ATOM 0 HG LEU A 30 5.149 -0.277 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.067 1.113 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.578 1.862 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.540 1.009 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.853 -1.375 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.327 -1.476 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.210 -2.400 0.219 1.00 0.00 H new ATOM 466 N LEU A 31 5.806 1.521 2.803 1.00 0.00 N ATOM 467 CA LEU A 31 4.979 2.712 3.123 1.00 0.00 C ATOM 468 C LEU A 31 5.835 3.702 3.913 1.00 0.00 C ATOM 469 O LEU A 31 5.694 4.903 3.798 1.00 0.00 O ATOM 470 CB LEU A 31 3.823 2.186 3.975 1.00 0.00 C ATOM 471 CG LEU A 31 4.314 1.929 5.399 1.00 0.00 C ATOM 472 CD1 LEU A 31 4.254 3.227 6.205 1.00 0.00 C ATOM 473 CD2 LEU A 31 3.424 0.873 6.059 1.00 0.00 C ATOM 0 H LEU A 31 5.540 0.660 3.281 1.00 0.00 H new ATOM 0 HA LEU A 31 4.606 3.226 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.007 2.909 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.429 1.266 3.543 1.00 0.00 H new ATOM 0 HG LEU A 31 5.343 1.572 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.605 3.041 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.888 3.978 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.226 3.589 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.772 0.688 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.395 1.231 6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.471 -0.052 5.485 1.00 0.00 H new ATOM 485 N SER A 32 6.737 3.191 4.710 1.00 0.00 N ATOM 486 CA SER A 32 7.629 4.074 5.510 1.00 0.00 C ATOM 487 C SER A 32 8.616 4.793 4.591 1.00 0.00 C ATOM 488 O SER A 32 9.013 5.914 4.843 1.00 0.00 O ATOM 489 CB SER A 32 8.371 3.131 6.455 1.00 0.00 C ATOM 490 OG SER A 32 9.516 3.793 6.974 1.00 0.00 O ATOM 0 H SER A 32 6.893 2.191 4.840 1.00 0.00 H new ATOM 0 HA SER A 32 7.076 4.843 6.050 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.715 2.822 7.269 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.669 2.226 5.925 1.00 0.00 H new ATOM 0 HG SER A 32 9.976 3.203 7.607 1.00 0.00 H new ATOM 496 N ALA A 33 9.022 4.154 3.527 1.00 0.00 N ATOM 497 CA ALA A 33 9.991 4.801 2.599 1.00 0.00 C ATOM 498 C ALA A 33 9.258 5.769 1.668 1.00 0.00 C ATOM 499 O ALA A 33 9.848 6.674 1.112 1.00 0.00 O ATOM 500 CB ALA A 33 10.607 3.651 1.802 1.00 0.00 C ATOM 0 H ALA A 33 8.725 3.215 3.262 1.00 0.00 H new ATOM 0 HA ALA A 33 10.749 5.379 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.334 4.048 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.104 2.961 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.823 3.123 1.259 1.00 0.00 H new ATOM 506 N GLU A 34 7.975 5.597 1.502 1.00 0.00 N ATOM 507 CA GLU A 34 7.220 6.527 0.614 1.00 0.00 C ATOM 508 C GLU A 34 6.066 7.196 1.387 1.00 0.00 C ATOM 509 O GLU A 34 6.223 8.303 1.863 1.00 0.00 O ATOM 510 CB GLU A 34 6.715 5.667 -0.545 1.00 0.00 C ATOM 511 CG GLU A 34 7.793 5.588 -1.628 1.00 0.00 C ATOM 512 CD GLU A 34 7.473 4.439 -2.586 1.00 0.00 C ATOM 513 OE1 GLU A 34 7.088 3.385 -2.107 1.00 0.00 O ATOM 514 OE2 GLU A 34 7.618 4.632 -3.780 1.00 0.00 O ATOM 0 H GLU A 34 7.421 4.860 1.938 1.00 0.00 H new ATOM 0 HA GLU A 34 7.841 7.343 0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.468 4.667 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.801 6.094 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.842 6.529 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.771 5.433 -1.172 1.00 0.00 H new ATOM 521 N PRO A 35 4.943 6.522 1.502 1.00 0.00 N ATOM 522 CA PRO A 35 3.796 7.108 2.238 1.00 0.00 C ATOM 523 C PRO A 35 4.051 7.065 3.748 1.00 0.00 C ATOM 524 O PRO A 35 3.417 6.325 4.472 1.00 0.00 O ATOM 525 CB PRO A 35 2.627 6.202 1.869 1.00 0.00 C ATOM 526 CG PRO A 35 3.251 4.892 1.513 1.00 0.00 C ATOM 527 CD PRO A 35 4.629 5.187 0.975 1.00 0.00 C ATOM 0 HA PRO A 35 3.619 8.153 1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.932 6.095 2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.060 6.610 1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.310 4.243 2.387 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.651 4.369 0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.355 4.446 1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.642 5.176 -0.115 1.00 0.00 H new ATOM 535 N ALA A 36 4.977 7.849 4.229 1.00 0.00 N ATOM 536 CA ALA A 36 5.266 7.845 5.694 1.00 0.00 C ATOM 537 C ALA A 36 3.993 8.152 6.487 1.00 0.00 C ATOM 538 O ALA A 36 3.186 8.971 6.095 1.00 0.00 O ATOM 539 CB ALA A 36 6.299 8.950 5.898 1.00 0.00 C ATOM 0 H ALA A 36 5.545 8.490 3.675 1.00 0.00 H new ATOM 0 HA ALA A 36 5.630 6.877 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.564 9.010 6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.191 8.727 5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.881 9.903 5.574 1.00 0.00 H new ATOM 545 N GLY A 37 3.804 7.497 7.601 1.00 0.00 N ATOM 546 CA GLY A 37 2.582 7.750 8.416 1.00 0.00 C ATOM 547 C GLY A 37 1.400 7.015 7.787 1.00 0.00 C ATOM 548 O GLY A 37 0.254 7.344 8.020 1.00 0.00 O ATOM 0 H GLY A 37 4.443 6.798 7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.735 7.408 9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.377 8.819 8.464 1.00 0.00 H new ATOM 552 N THR A 38 1.673 6.023 6.987 1.00 0.00 N ATOM 553 CA THR A 38 0.571 5.259 6.330 1.00 0.00 C ATOM 554 C THR A 38 0.707 3.765 6.635 1.00 0.00 C ATOM 555 O THR A 38 1.797 3.254 6.798 1.00 0.00 O ATOM 556 CB THR A 38 0.734 5.526 4.834 1.00 0.00 C ATOM 557 OG1 THR A 38 1.190 6.857 4.639 1.00 0.00 O ATOM 558 CG2 THR A 38 -0.613 5.340 4.135 1.00 0.00 C ATOM 0 H THR A 38 2.615 5.706 6.758 1.00 0.00 H new ATOM 0 HA THR A 38 -0.412 5.564 6.688 1.00 0.00 H new ATOM 0 HB THR A 38 1.460 4.829 4.416 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.127 6.926 4.918 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.498 5.530 3.068 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.963 4.319 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.339 6.038 4.552 1.00 0.00 H new ATOM 566 N PHE A 39 -0.388 3.059 6.727 1.00 0.00 N ATOM 567 CA PHE A 39 -0.307 1.601 7.037 1.00 0.00 C ATOM 568 C PHE A 39 -0.984 0.779 5.936 1.00 0.00 C ATOM 569 O PHE A 39 -1.958 1.196 5.342 1.00 0.00 O ATOM 570 CB PHE A 39 -1.055 1.437 8.360 1.00 0.00 C ATOM 571 CG PHE A 39 -2.516 1.750 8.154 1.00 0.00 C ATOM 572 CD1 PHE A 39 -3.339 0.842 7.478 1.00 0.00 C ATOM 573 CD2 PHE A 39 -3.049 2.951 8.640 1.00 0.00 C ATOM 574 CE1 PHE A 39 -4.695 1.134 7.288 1.00 0.00 C ATOM 575 CE2 PHE A 39 -4.405 3.243 8.449 1.00 0.00 C ATOM 576 CZ PHE A 39 -5.228 2.334 7.772 1.00 0.00 C ATOM 0 H PHE A 39 -1.331 3.426 6.602 1.00 0.00 H new ATOM 0 HA PHE A 39 0.724 1.253 7.101 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.939 0.419 8.732 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.633 2.102 9.114 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.928 -0.084 7.103 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.414 3.652 9.162 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.330 0.433 6.767 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.816 4.169 8.824 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.274 2.559 7.624 1.00 0.00 H new ATOM 586 N LEU A 40 -0.463 -0.386 5.658 1.00 0.00 N ATOM 587 CA LEU A 40 -1.056 -1.245 4.592 1.00 0.00 C ATOM 588 C LEU A 40 -0.781 -2.723 4.897 1.00 0.00 C ATOM 589 O LEU A 40 0.121 -3.052 5.640 1.00 0.00 O ATOM 590 CB LEU A 40 -0.352 -0.803 3.301 1.00 0.00 C ATOM 591 CG LEU A 40 0.220 -2.018 2.563 1.00 0.00 C ATOM 592 CD1 LEU A 40 0.675 -1.597 1.165 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.422 -2.570 3.336 1.00 0.00 C ATOM 0 H LEU A 40 0.352 -0.782 6.126 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.138 -1.141 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.056 -0.276 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.449 -0.103 3.537 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.549 -2.786 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.082 -2.461 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.175 -1.202 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.443 -0.828 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.827 -3.434 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.189 -1.800 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.106 -2.869 4.335 1.00 0.00 H new ATOM 605 N ILE A 41 -1.546 -3.614 4.327 1.00 0.00 N ATOM 606 CA ILE A 41 -1.314 -5.064 4.588 1.00 0.00 C ATOM 607 C ILE A 41 -0.874 -5.772 3.301 1.00 0.00 C ATOM 608 O ILE A 41 -1.331 -5.456 2.219 1.00 0.00 O ATOM 609 CB ILE A 41 -2.663 -5.605 5.074 1.00 0.00 C ATOM 610 CG1 ILE A 41 -2.423 -6.720 6.094 1.00 0.00 C ATOM 611 CG2 ILE A 41 -3.458 -6.164 3.891 1.00 0.00 C ATOM 612 CD1 ILE A 41 -3.656 -6.867 6.989 1.00 0.00 C ATOM 0 H ILE A 41 -2.318 -3.403 3.695 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.526 -5.230 5.322 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.229 -4.796 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.219 -7.660 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.546 -6.491 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.415 -6.547 4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.630 -5.372 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.895 -6.972 3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.485 -7.661 7.716 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.839 -5.929 7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.523 -7.116 6.376 1.00 0.00 H new ATOM 624 N ARG A 42 0.009 -6.726 3.410 1.00 0.00 N ATOM 625 CA ARG A 42 0.480 -7.455 2.196 1.00 0.00 C ATOM 626 C ARG A 42 0.385 -8.968 2.415 1.00 0.00 C ATOM 627 O ARG A 42 0.816 -9.485 3.427 1.00 0.00 O ATOM 628 CB ARG A 42 1.938 -7.031 2.028 1.00 0.00 C ATOM 629 CG ARG A 42 2.608 -7.913 0.973 1.00 0.00 C ATOM 630 CD ARG A 42 2.143 -7.486 -0.421 1.00 0.00 C ATOM 631 NE ARG A 42 0.954 -8.338 -0.705 1.00 0.00 N ATOM 632 CZ ARG A 42 1.111 -9.555 -1.150 1.00 0.00 C ATOM 633 NH1 ARG A 42 2.310 -10.034 -1.345 1.00 0.00 N ATOM 634 NH2 ARG A 42 0.066 -10.296 -1.400 1.00 0.00 N ATOM 0 H ARG A 42 0.426 -7.034 4.289 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.120 -7.224 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.991 -5.984 1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.465 -7.118 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.692 -7.828 1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.358 -8.960 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.885 -6.427 -0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.926 -7.640 -1.163 1.00 0.00 H new ATOM 0 HE ARG A 42 0.015 -7.969 -0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.128 -9.457 -1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.429 -10.985 -1.693 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.871 -9.924 -1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.187 -11.247 -1.748 1.00 0.00 H new ATOM 648 N ASP A 43 -0.174 -9.682 1.476 1.00 0.00 N ATOM 649 CA ASP A 43 -0.291 -11.161 1.636 1.00 0.00 C ATOM 650 C ASP A 43 1.059 -11.829 1.362 1.00 0.00 C ATOM 651 O ASP A 43 1.475 -11.967 0.228 1.00 0.00 O ATOM 652 CB ASP A 43 -1.325 -11.595 0.596 1.00 0.00 C ATOM 653 CG ASP A 43 -2.307 -12.579 1.235 1.00 0.00 C ATOM 654 OD1 ASP A 43 -1.923 -13.231 2.192 1.00 0.00 O ATOM 655 OD2 ASP A 43 -3.425 -12.664 0.755 1.00 0.00 O ATOM 0 H ASP A 43 -0.554 -9.307 0.607 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.588 -11.444 2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.861 -10.726 0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.828 -12.061 -0.255 1.00 0.00 H new ATOM 660 N SER A 44 1.744 -12.245 2.391 1.00 0.00 N ATOM 661 CA SER A 44 3.066 -12.906 2.190 1.00 0.00 C ATOM 662 C SER A 44 3.515 -13.591 3.484 1.00 0.00 C ATOM 663 O SER A 44 2.709 -13.941 4.322 1.00 0.00 O ATOM 664 CB SER A 44 4.022 -11.770 1.823 1.00 0.00 C ATOM 665 OG SER A 44 3.667 -11.252 0.548 1.00 0.00 O ATOM 0 H SER A 44 1.446 -12.156 3.363 1.00 0.00 H new ATOM 0 HA SER A 44 3.033 -13.676 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.975 -10.982 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.049 -12.134 1.807 1.00 0.00 H new ATOM 0 HG SER A 44 3.039 -11.864 0.110 1.00 0.00 H new ATOM 735 N HIS A 49 -0.223 -17.431 1.003 1.00 0.00 N ATOM 736 CA HIS A 49 -1.289 -16.748 1.793 1.00 0.00 C ATOM 737 C HIS A 49 -0.677 -16.026 2.997 1.00 0.00 C ATOM 738 O HIS A 49 0.436 -15.544 2.944 1.00 0.00 O ATOM 739 CB HIS A 49 -2.218 -17.871 2.254 1.00 0.00 C ATOM 740 CG HIS A 49 -2.577 -18.736 1.077 1.00 0.00 C ATOM 741 ND1 HIS A 49 -1.948 -19.946 0.830 1.00 0.00 N ATOM 742 CD2 HIS A 49 -3.499 -18.580 0.071 1.00 0.00 C ATOM 743 CE1 HIS A 49 -2.493 -20.466 -0.285 1.00 0.00 C ATOM 744 NE2 HIS A 49 -3.443 -19.674 -0.789 1.00 0.00 N ATOM 0 HA HIS A 49 -1.818 -15.995 1.209 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.730 -18.469 3.024 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.120 -17.452 2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -4.166 -17.737 -0.037 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.198 -21.410 -0.720 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -4.006 -19.836 -1.624 1.00 0.00 H new ATOM 752 N PHE A 50 -1.399 -15.947 4.083 1.00 0.00 N ATOM 753 CA PHE A 50 -0.858 -15.254 5.288 1.00 0.00 C ATOM 754 C PHE A 50 -0.542 -13.792 4.957 1.00 0.00 C ATOM 755 O PHE A 50 0.398 -13.496 4.247 1.00 0.00 O ATOM 756 CB PHE A 50 0.422 -16.012 5.640 1.00 0.00 C ATOM 757 CG PHE A 50 0.335 -16.511 7.063 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.655 -17.434 7.421 1.00 0.00 C ATOM 759 CD2 PHE A 50 1.244 -16.051 8.023 1.00 0.00 C ATOM 760 CE1 PHE A 50 -0.735 -17.898 8.740 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.164 -16.515 9.341 1.00 0.00 C ATOM 762 CZ PHE A 50 0.174 -17.437 9.700 1.00 0.00 C ATOM 0 H PHE A 50 -2.338 -16.332 4.188 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.568 -15.248 6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.561 -16.850 4.957 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.288 -15.360 5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.357 -17.788 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.007 -15.338 7.747 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.498 -18.611 9.017 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.866 -16.161 10.081 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.111 -17.793 10.718 1.00 0.00 H new ATOM 772 N PHE A 51 -1.322 -12.874 5.465 1.00 0.00 N ATOM 773 CA PHE A 51 -1.060 -11.435 5.174 1.00 0.00 C ATOM 774 C PHE A 51 -0.698 -10.687 6.461 1.00 0.00 C ATOM 775 O PHE A 51 -1.228 -10.959 7.520 1.00 0.00 O ATOM 776 CB PHE A 51 -2.369 -10.903 4.585 1.00 0.00 C ATOM 777 CG PHE A 51 -3.471 -10.995 5.614 1.00 0.00 C ATOM 778 CD1 PHE A 51 -3.498 -10.104 6.693 1.00 0.00 C ATOM 779 CD2 PHE A 51 -4.471 -11.967 5.485 1.00 0.00 C ATOM 780 CE1 PHE A 51 -4.522 -10.184 7.642 1.00 0.00 C ATOM 781 CE2 PHE A 51 -5.494 -12.048 6.436 1.00 0.00 C ATOM 782 CZ PHE A 51 -5.520 -11.157 7.512 1.00 0.00 C ATOM 0 H PHE A 51 -2.125 -13.058 6.066 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.223 -11.299 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.241 -9.868 4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.639 -11.477 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.727 -9.354 6.793 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.452 -12.654 4.652 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.543 -9.496 8.474 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.264 -12.799 6.338 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.311 -11.219 8.244 1.00 0.00 H new ATOM 792 N THR A 52 0.203 -9.747 6.373 1.00 0.00 N ATOM 793 CA THR A 52 0.606 -8.978 7.586 1.00 0.00 C ATOM 794 C THR A 52 0.456 -7.476 7.327 1.00 0.00 C ATOM 795 O THR A 52 0.493 -7.026 6.199 1.00 0.00 O ATOM 796 CB THR A 52 2.075 -9.339 7.815 1.00 0.00 C ATOM 797 OG1 THR A 52 2.189 -10.740 8.015 1.00 0.00 O ATOM 798 CG2 THR A 52 2.599 -8.600 9.047 1.00 0.00 C ATOM 0 H THR A 52 0.679 -9.477 5.512 1.00 0.00 H new ATOM 0 HA THR A 52 -0.010 -9.217 8.453 1.00 0.00 H new ATOM 0 HB THR A 52 2.662 -9.047 6.944 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.129 -10.974 8.160 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.646 -8.858 9.209 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.511 -7.525 8.891 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.015 -8.889 9.921 1.00 0.00 H new ATOM 806 N LEU A 53 0.281 -6.697 8.359 1.00 0.00 N ATOM 807 CA LEU A 53 0.124 -5.228 8.157 1.00 0.00 C ATOM 808 C LEU A 53 1.055 -4.453 9.099 1.00 0.00 C ATOM 809 O LEU A 53 1.080 -4.675 10.293 1.00 0.00 O ATOM 810 CB LEU A 53 -1.356 -4.952 8.461 1.00 0.00 C ATOM 811 CG LEU A 53 -1.502 -4.002 9.653 1.00 0.00 C ATOM 812 CD1 LEU A 53 -0.953 -2.623 9.287 1.00 0.00 C ATOM 813 CD2 LEU A 53 -2.983 -3.875 10.015 1.00 0.00 C ATOM 0 H LEU A 53 0.240 -7.011 9.328 1.00 0.00 H new ATOM 0 HA LEU A 53 0.392 -4.909 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.837 -4.518 7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.869 -5.890 8.674 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.944 -4.398 10.502 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.059 -1.951 10.139 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.101 -2.709 9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.508 -2.224 8.438 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.094 -3.200 10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.533 -3.479 9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.379 -4.856 10.278 1.00 0.00 H new ATOM 825 N SER A 54 1.823 -3.548 8.559 1.00 0.00 N ATOM 826 CA SER A 54 2.762 -2.749 9.404 1.00 0.00 C ATOM 827 C SER A 54 2.761 -1.289 8.942 1.00 0.00 C ATOM 828 O SER A 54 2.468 -0.991 7.801 1.00 0.00 O ATOM 829 CB SER A 54 4.133 -3.383 9.179 1.00 0.00 C ATOM 830 OG SER A 54 5.091 -2.360 8.940 1.00 0.00 O ATOM 0 H SER A 54 1.843 -3.324 7.564 1.00 0.00 H new ATOM 0 HA SER A 54 2.483 -2.753 10.458 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.422 -3.971 10.050 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.095 -4.067 8.331 1.00 0.00 H new ATOM 0 HG SER A 54 5.994 -2.738 8.995 1.00 0.00 H new ATOM 836 N VAL A 55 3.079 -0.377 9.818 1.00 0.00 N ATOM 837 CA VAL A 55 3.087 1.061 9.420 1.00 0.00 C ATOM 838 C VAL A 55 4.345 1.755 9.951 1.00 0.00 C ATOM 839 O VAL A 55 5.121 1.179 10.686 1.00 0.00 O ATOM 840 CB VAL A 55 1.824 1.666 10.049 1.00 0.00 C ATOM 841 CG1 VAL A 55 0.784 0.567 10.287 1.00 0.00 C ATOM 842 CG2 VAL A 55 2.173 2.328 11.385 1.00 0.00 C ATOM 0 H VAL A 55 3.333 -0.562 10.788 1.00 0.00 H new ATOM 0 HA VAL A 55 3.094 1.184 8.337 1.00 0.00 H new ATOM 0 HB VAL A 55 1.415 2.413 9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.110 1.003 10.733 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.524 0.100 9.337 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.196 -0.185 10.960 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.272 2.755 11.826 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.590 1.583 12.062 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.906 3.118 11.219 1.00 0.00 H new ATOM 852 N LYS A 56 4.547 2.990 9.583 1.00 0.00 N ATOM 853 CA LYS A 56 5.750 3.726 10.065 1.00 0.00 C ATOM 854 C LYS A 56 5.337 4.833 11.036 1.00 0.00 C ATOM 855 O LYS A 56 4.355 5.519 10.831 1.00 0.00 O ATOM 856 CB LYS A 56 6.374 4.332 8.809 1.00 0.00 C ATOM 857 CG LYS A 56 7.869 4.560 9.046 1.00 0.00 C ATOM 858 CD LYS A 56 8.334 5.774 8.240 1.00 0.00 C ATOM 859 CE LYS A 56 9.745 6.171 8.681 1.00 0.00 C ATOM 860 NZ LYS A 56 10.468 6.485 7.418 1.00 0.00 N ATOM 0 H LYS A 56 3.930 3.522 8.969 1.00 0.00 H new ATOM 0 HA LYS A 56 6.445 3.075 10.595 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.226 3.667 7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.885 5.275 8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.060 4.720 10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.434 3.676 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.327 5.541 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.647 6.607 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.722 7.033 9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.232 5.361 9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.463 6.700 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.421 5.666 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.026 7.308 6.961 1.00 0.00 H new ATOM 874 N THR A 57 6.078 5.014 12.092 1.00 0.00 N ATOM 875 CA THR A 57 5.728 6.079 13.073 1.00 0.00 C ATOM 876 C THR A 57 6.967 6.911 13.413 1.00 0.00 C ATOM 877 O THR A 57 7.799 7.175 12.569 1.00 0.00 O ATOM 878 CB THR A 57 5.231 5.327 14.308 1.00 0.00 C ATOM 879 OG1 THR A 57 4.792 4.030 13.925 1.00 0.00 O ATOM 880 CG2 THR A 57 4.074 6.097 14.946 1.00 0.00 C ATOM 0 H THR A 57 6.911 4.471 12.319 1.00 0.00 H new ATOM 0 HA THR A 57 4.979 6.770 12.686 1.00 0.00 H new ATOM 0 HB THR A 57 6.042 5.236 15.031 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.417 3.358 14.269 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.721 5.560 15.826 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.416 7.090 15.240 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.260 6.191 14.228 1.00 0.00 H new ATOM 888 N GLN A 58 7.097 7.322 14.644 1.00 0.00 N ATOM 889 CA GLN A 58 8.285 8.134 15.035 1.00 0.00 C ATOM 890 C GLN A 58 9.560 7.503 14.473 1.00 0.00 C ATOM 891 O GLN A 58 10.541 8.176 14.222 1.00 0.00 O ATOM 892 CB GLN A 58 8.300 8.103 16.564 1.00 0.00 C ATOM 893 CG GLN A 58 9.026 9.341 17.095 1.00 0.00 C ATOM 894 CD GLN A 58 9.177 9.231 18.613 1.00 0.00 C ATOM 895 OE1 GLN A 58 10.076 9.809 19.189 1.00 0.00 O ATOM 896 NE2 GLN A 58 8.328 8.507 19.289 1.00 0.00 N ATOM 0 H GLN A 58 6.434 7.132 15.395 1.00 0.00 H new ATOM 0 HA GLN A 58 8.236 9.152 14.649 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.280 8.075 16.947 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.797 7.199 16.915 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.006 9.430 16.627 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.468 10.241 16.839 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.573 8.022 18.805 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.419 8.426 20.302 1.00 0.00 H new ATOM 905 N SER A 59 9.549 6.212 14.276 1.00 0.00 N ATOM 906 CA SER A 59 10.754 5.520 13.731 1.00 0.00 C ATOM 907 C SER A 59 10.642 4.014 13.978 1.00 0.00 C ATOM 908 O SER A 59 11.323 3.220 13.360 1.00 0.00 O ATOM 909 CB SER A 59 11.939 6.101 14.504 1.00 0.00 C ATOM 910 OG SER A 59 12.697 6.936 13.641 1.00 0.00 O ATOM 0 H SER A 59 8.754 5.604 14.470 1.00 0.00 H new ATOM 0 HA SER A 59 10.864 5.666 12.657 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.584 6.672 15.362 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.564 5.297 14.893 1.00 0.00 H new ATOM 0 HG SER A 59 12.217 7.778 13.495 1.00 0.00 H new ATOM 916 N GLY A 60 9.789 3.617 14.882 1.00 0.00 N ATOM 917 CA GLY A 60 9.632 2.164 15.175 1.00 0.00 C ATOM 918 C GLY A 60 8.755 1.511 14.104 1.00 0.00 C ATOM 919 O GLY A 60 7.577 1.289 14.306 1.00 0.00 O ATOM 0 H GLY A 60 9.193 4.237 15.431 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.609 1.681 15.202 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.182 2.028 16.159 1.00 0.00 H new ATOM 923 N THR A 61 9.320 1.196 12.971 1.00 0.00 N ATOM 924 CA THR A 61 8.519 0.551 11.891 1.00 0.00 C ATOM 925 C THR A 61 8.664 -0.973 11.974 1.00 0.00 C ATOM 926 O THR A 61 9.707 -1.522 11.675 1.00 0.00 O ATOM 927 CB THR A 61 9.119 1.076 10.585 1.00 0.00 C ATOM 928 OG1 THR A 61 10.347 0.410 10.330 1.00 0.00 O ATOM 929 CG2 THR A 61 9.367 2.581 10.701 1.00 0.00 C ATOM 0 H THR A 61 10.302 1.357 12.746 1.00 0.00 H new ATOM 0 HA THR A 61 7.456 0.778 11.969 1.00 0.00 H new ATOM 0 HB THR A 61 8.425 0.888 9.766 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.574 -0.161 11.094 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.794 2.952 9.769 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.424 3.091 10.896 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.060 2.774 11.520 1.00 0.00 H new ATOM 937 N LYS A 62 7.631 -1.661 12.380 1.00 0.00 N ATOM 938 CA LYS A 62 7.720 -3.147 12.484 1.00 0.00 C ATOM 939 C LYS A 62 6.448 -3.799 11.933 1.00 0.00 C ATOM 940 O LYS A 62 5.488 -3.127 11.611 1.00 0.00 O ATOM 941 CB LYS A 62 7.862 -3.433 13.980 1.00 0.00 C ATOM 942 CG LYS A 62 8.832 -4.597 14.188 1.00 0.00 C ATOM 943 CD LYS A 62 9.883 -4.205 15.230 1.00 0.00 C ATOM 944 CE LYS A 62 11.177 -3.798 14.522 1.00 0.00 C ATOM 945 NZ LYS A 62 12.035 -3.219 15.593 1.00 0.00 N ATOM 0 H LYS A 62 6.731 -1.260 12.644 1.00 0.00 H new ATOM 0 HA LYS A 62 8.555 -3.548 11.909 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.226 -2.546 14.498 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.889 -3.675 14.408 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.289 -5.482 14.519 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.316 -4.854 13.246 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.515 -3.380 15.841 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.072 -5.041 15.904 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.657 -4.657 14.052 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.984 -3.070 13.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.942 -2.916 15.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.555 -2.400 16.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.207 -3.937 16.326 1.00 0.00 H new ATOM 959 N ASN A 63 6.435 -5.100 11.823 1.00 0.00 N ATOM 960 CA ASN A 63 5.224 -5.794 11.292 1.00 0.00 C ATOM 961 C ASN A 63 4.970 -7.080 12.081 1.00 0.00 C ATOM 962 O ASN A 63 5.872 -7.649 12.664 1.00 0.00 O ATOM 963 CB ASN A 63 5.545 -6.120 9.828 1.00 0.00 C ATOM 964 CG ASN A 63 6.647 -5.189 9.312 1.00 0.00 C ATOM 965 OD1 ASN A 63 6.398 -4.332 8.488 1.00 0.00 O ATOM 966 ND2 ASN A 63 7.864 -5.325 9.763 1.00 0.00 N ATOM 0 H ASN A 63 7.210 -5.713 12.077 1.00 0.00 H new ATOM 0 HA ASN A 63 4.329 -5.178 11.379 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.864 -7.158 9.740 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.649 -6.009 9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.605 -4.712 9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.074 -6.044 10.455 1.00 0.00 H new ATOM 973 N LEU A 64 3.749 -7.544 12.110 1.00 0.00 N ATOM 974 CA LEU A 64 3.451 -8.792 12.868 1.00 0.00 C ATOM 975 C LEU A 64 2.492 -9.687 12.079 1.00 0.00 C ATOM 976 O LEU A 64 1.459 -9.250 11.615 1.00 0.00 O ATOM 977 CB LEU A 64 2.798 -8.320 14.165 1.00 0.00 C ATOM 978 CG LEU A 64 3.872 -8.154 15.239 1.00 0.00 C ATOM 979 CD1 LEU A 64 3.649 -6.841 15.989 1.00 0.00 C ATOM 980 CD2 LEU A 64 3.792 -9.324 16.223 1.00 0.00 C ATOM 0 H LEU A 64 2.950 -7.115 11.644 1.00 0.00 H new ATOM 0 HA LEU A 64 4.349 -9.382 13.052 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.281 -7.374 14.002 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.049 -9.041 14.492 1.00 0.00 H new ATOM 0 HG LEU A 64 4.855 -8.139 14.769 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.416 -6.724 16.755 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.706 -6.008 15.289 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.666 -6.853 16.459 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.558 -9.207 16.990 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.808 -9.339 16.692 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.953 -10.260 15.689 1.00 0.00 H new ATOM 992 N ARG A 65 2.824 -10.940 11.931 1.00 0.00 N ATOM 993 CA ARG A 65 1.926 -11.863 11.181 1.00 0.00 C ATOM 994 C ARG A 65 0.780 -12.323 12.085 1.00 0.00 C ATOM 995 O ARG A 65 0.889 -12.309 13.295 1.00 0.00 O ATOM 996 CB ARG A 65 2.812 -13.047 10.787 1.00 0.00 C ATOM 997 CG ARG A 65 3.377 -13.705 12.048 1.00 0.00 C ATOM 998 CD ARG A 65 3.870 -15.114 11.712 1.00 0.00 C ATOM 999 NE ARG A 65 4.622 -15.557 12.919 1.00 0.00 N ATOM 1000 CZ ARG A 65 5.292 -16.677 12.898 1.00 0.00 C ATOM 1001 NH1 ARG A 65 5.308 -17.410 11.817 1.00 0.00 N ATOM 1002 NH2 ARG A 65 5.949 -17.065 13.957 1.00 0.00 N ATOM 0 H ARG A 65 3.677 -11.364 12.296 1.00 0.00 H new ATOM 0 HA ARG A 65 1.475 -11.389 10.309 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.234 -13.772 10.214 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.625 -12.708 10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.196 -13.107 12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.610 -13.751 12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.037 -15.783 11.498 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.509 -15.109 10.829 1.00 0.00 H new ATOM 0 HE ARG A 65 4.613 -14.984 13.763 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.797 -17.107 10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.832 -18.285 11.802 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.939 -16.493 14.801 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.472 -17.940 13.940 1.00 0.00 H new ATOM 1016 N ILE A 66 -0.320 -12.726 11.511 1.00 0.00 N ATOM 1017 CA ILE A 66 -1.469 -13.179 12.344 1.00 0.00 C ATOM 1018 C ILE A 66 -1.213 -14.589 12.886 1.00 0.00 C ATOM 1019 O ILE A 66 -0.687 -15.443 12.200 1.00 0.00 O ATOM 1020 CB ILE A 66 -2.666 -13.183 11.395 1.00 0.00 C ATOM 1021 CG1 ILE A 66 -3.909 -13.657 12.149 1.00 0.00 C ATOM 1022 CG2 ILE A 66 -2.388 -14.128 10.225 1.00 0.00 C ATOM 1023 CD1 ILE A 66 -4.291 -12.620 13.205 1.00 0.00 C ATOM 0 H ILE A 66 -0.473 -12.761 10.503 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.631 -12.533 13.207 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.832 -12.175 11.014 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.735 -13.805 11.453 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.715 -14.619 12.622 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.242 -14.130 9.548 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.501 -13.791 9.688 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.222 -15.137 10.603 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.177 -12.958 13.743 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.466 -12.495 13.907 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.502 -11.667 12.720 1.00 0.00 H new ATOM 1035 N GLN A 67 -1.585 -14.837 14.112 1.00 0.00 N ATOM 1036 CA GLN A 67 -1.370 -16.192 14.697 1.00 0.00 C ATOM 1037 C GLN A 67 -2.607 -17.062 14.465 1.00 0.00 C ATOM 1038 O GLN A 67 -3.686 -16.759 14.934 1.00 0.00 O ATOM 1039 CB GLN A 67 -1.158 -15.949 16.192 1.00 0.00 C ATOM 1040 CG GLN A 67 0.278 -15.478 16.435 1.00 0.00 C ATOM 1041 CD GLN A 67 0.255 -14.149 17.193 1.00 0.00 C ATOM 1042 OE1 GLN A 67 0.830 -14.034 18.257 1.00 0.00 O ATOM 1043 NE2 GLN A 67 -0.390 -13.134 16.687 1.00 0.00 N ATOM 0 H GLN A 67 -2.028 -14.161 14.734 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.524 -16.710 14.246 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.863 -15.201 16.553 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.351 -16.865 16.751 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.826 -16.226 17.007 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.799 -15.359 15.485 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.873 -13.231 15.794 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.411 -12.244 17.185 1.00 0.00 H new ATOM 1052 N CYS A 68 -2.462 -18.135 13.740 1.00 0.00 N ATOM 1053 CA CYS A 68 -3.635 -19.015 13.475 1.00 0.00 C ATOM 1054 C CYS A 68 -3.632 -20.216 14.425 1.00 0.00 C ATOM 1055 O CYS A 68 -2.736 -21.036 14.402 1.00 0.00 O ATOM 1056 CB CYS A 68 -3.463 -19.477 12.028 1.00 0.00 C ATOM 1057 SG CYS A 68 -4.891 -20.475 11.541 1.00 0.00 S ATOM 0 H CYS A 68 -1.584 -18.441 13.320 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.580 -18.495 13.631 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.366 -18.615 11.369 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.547 -20.059 11.927 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.920 -20.141 12.262 1.00 0.00 H new ATOM 1063 N GLU A 69 -4.633 -20.327 15.255 1.00 0.00 N ATOM 1064 CA GLU A 69 -4.694 -21.478 16.201 1.00 0.00 C ATOM 1065 C GLU A 69 -5.548 -22.599 15.602 1.00 0.00 C ATOM 1066 O GLU A 69 -6.761 -22.529 15.593 1.00 0.00 O ATOM 1067 CB GLU A 69 -5.349 -20.921 17.465 1.00 0.00 C ATOM 1068 CG GLU A 69 -4.264 -20.466 18.444 1.00 0.00 C ATOM 1069 CD GLU A 69 -4.195 -21.442 19.620 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -5.133 -22.203 19.790 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -3.204 -21.412 20.332 1.00 0.00 O ATOM 0 H GLU A 69 -5.411 -19.671 15.319 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.710 -21.899 16.408 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.999 -20.084 17.212 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.976 -21.683 17.929 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.299 -20.420 17.939 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.483 -19.461 18.804 1.00 0.00 H new ATOM 1078 N GLY A 70 -4.926 -23.629 15.097 1.00 0.00 N ATOM 1079 CA GLY A 70 -5.707 -24.746 14.495 1.00 0.00 C ATOM 1080 C GLY A 70 -6.299 -24.287 13.161 1.00 0.00 C ATOM 1081 O GLY A 70 -5.763 -24.564 12.106 1.00 0.00 O ATOM 0 H GLY A 70 -3.913 -23.745 15.075 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.065 -25.613 14.342 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.503 -25.055 15.172 1.00 0.00 H new ATOM 1085 N GLY A 71 -7.398 -23.586 13.199 1.00 0.00 N ATOM 1086 CA GLY A 71 -8.021 -23.107 11.933 1.00 0.00 C ATOM 1087 C GLY A 71 -8.577 -21.695 12.137 1.00 0.00 C ATOM 1088 O GLY A 71 -9.239 -21.149 11.276 1.00 0.00 O ATOM 0 H GLY A 71 -7.892 -23.324 14.052 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.283 -23.106 11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.820 -23.783 11.630 1.00 0.00 H new ATOM 1092 N SER A 72 -8.315 -21.100 13.269 1.00 0.00 N ATOM 1093 CA SER A 72 -8.829 -19.723 13.530 1.00 0.00 C ATOM 1094 C SER A 72 -7.700 -18.698 13.385 1.00 0.00 C ATOM 1095 O SER A 72 -6.535 -19.040 13.383 1.00 0.00 O ATOM 1096 CB SER A 72 -9.345 -19.757 14.967 1.00 0.00 C ATOM 1097 OG SER A 72 -10.753 -19.557 14.965 1.00 0.00 O ATOM 0 H SER A 72 -7.766 -21.508 14.026 1.00 0.00 H new ATOM 0 HA SER A 72 -9.609 -19.434 12.826 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.103 -20.713 15.430 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.857 -18.983 15.559 1.00 0.00 H new ATOM 0 HG SER A 72 -11.088 -19.580 15.886 1.00 0.00 H new ATOM 1103 N PHE A 73 -8.041 -17.445 13.257 1.00 0.00 N ATOM 1104 CA PHE A 73 -6.991 -16.393 13.104 1.00 0.00 C ATOM 1105 C PHE A 73 -6.930 -15.519 14.362 1.00 0.00 C ATOM 1106 O PHE A 73 -7.941 -15.202 14.955 1.00 0.00 O ATOM 1107 CB PHE A 73 -7.448 -15.566 11.901 1.00 0.00 C ATOM 1108 CG PHE A 73 -6.431 -15.665 10.789 1.00 0.00 C ATOM 1109 CD1 PHE A 73 -5.674 -16.832 10.627 1.00 0.00 C ATOM 1110 CD2 PHE A 73 -6.245 -14.585 9.918 1.00 0.00 C ATOM 1111 CE1 PHE A 73 -4.732 -16.917 9.594 1.00 0.00 C ATOM 1112 CE2 PHE A 73 -5.304 -14.670 8.886 1.00 0.00 C ATOM 1113 CZ PHE A 73 -4.547 -15.837 8.725 1.00 0.00 C ATOM 0 H PHE A 73 -9.002 -17.102 13.252 1.00 0.00 H new ATOM 0 HA PHE A 73 -5.996 -16.814 12.963 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.417 -15.922 11.551 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.578 -14.524 12.194 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.817 -17.666 11.298 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.829 -13.685 10.043 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.148 -17.817 9.468 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.162 -13.836 8.214 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.820 -15.903 7.929 1.00 0.00 H new ATOM 1123 N SER A 74 -5.753 -15.132 14.776 1.00 0.00 N ATOM 1124 CA SER A 74 -5.638 -14.279 15.997 1.00 0.00 C ATOM 1125 C SER A 74 -4.342 -13.461 15.968 1.00 0.00 C ATOM 1126 O SER A 74 -3.299 -13.947 15.577 1.00 0.00 O ATOM 1127 CB SER A 74 -5.621 -15.265 17.165 1.00 0.00 C ATOM 1128 OG SER A 74 -4.280 -15.647 17.437 1.00 0.00 O ATOM 0 H SER A 74 -4.869 -15.368 14.325 1.00 0.00 H new ATOM 0 HA SER A 74 -6.456 -13.563 16.073 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.067 -14.808 18.048 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.220 -16.143 16.923 1.00 0.00 H new ATOM 0 HG SER A 74 -3.894 -16.072 16.643 1.00 0.00 H new ATOM 1134 N LEU A 75 -4.399 -12.224 16.387 1.00 0.00 N ATOM 1135 CA LEU A 75 -3.170 -11.375 16.395 1.00 0.00 C ATOM 1136 C LEU A 75 -2.985 -10.743 17.777 1.00 0.00 C ATOM 1137 O LEU A 75 -2.931 -9.537 17.915 1.00 0.00 O ATOM 1138 CB LEU A 75 -3.420 -10.293 15.342 1.00 0.00 C ATOM 1139 CG LEU A 75 -2.234 -9.326 15.305 1.00 0.00 C ATOM 1140 CD1 LEU A 75 -1.770 -9.140 13.859 1.00 0.00 C ATOM 1141 CD2 LEU A 75 -2.661 -7.973 15.878 1.00 0.00 C ATOM 0 H LEU A 75 -5.245 -11.764 16.725 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.269 -11.949 16.177 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.559 -10.750 14.362 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.337 -9.751 15.574 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.417 -9.733 15.900 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.926 -8.451 13.834 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.466 -10.103 13.448 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.588 -8.733 13.264 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.817 -7.284 15.852 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.479 -7.567 15.282 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.992 -8.102 16.908 1.00 0.00 H new ATOM 1384 N VAL A 91 -8.761 -11.405 11.905 1.00 0.00 N ATOM 1385 CA VAL A 91 -8.009 -10.175 11.528 1.00 0.00 C ATOM 1386 C VAL A 91 -8.970 -8.987 11.424 1.00 0.00 C ATOM 1387 O VAL A 91 -8.579 -7.850 11.598 1.00 0.00 O ATOM 1388 CB VAL A 91 -7.347 -10.488 10.180 1.00 0.00 C ATOM 1389 CG1 VAL A 91 -7.314 -9.227 9.313 1.00 0.00 C ATOM 1390 CG2 VAL A 91 -5.915 -10.969 10.430 1.00 0.00 C ATOM 0 HA VAL A 91 -7.259 -9.903 12.271 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.916 -11.262 9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.843 -9.455 8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.332 -8.877 9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.744 -8.450 9.822 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.435 -11.194 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.353 -10.189 10.943 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.935 -11.867 11.047 1.00 0.00 H new ATOM 1400 N LEU A 92 -10.224 -9.233 11.149 1.00 0.00 N ATOM 1401 CA LEU A 92 -11.184 -8.089 11.049 1.00 0.00 C ATOM 1402 C LEU A 92 -11.169 -7.313 12.367 1.00 0.00 C ATOM 1403 O LEU A 92 -11.055 -6.105 12.385 1.00 0.00 O ATOM 1404 CB LEU A 92 -12.587 -8.682 10.804 1.00 0.00 C ATOM 1405 CG LEU A 92 -12.514 -10.183 10.498 1.00 0.00 C ATOM 1406 CD1 LEU A 92 -13.933 -10.741 10.369 1.00 0.00 C ATOM 1407 CD2 LEU A 92 -11.764 -10.406 9.183 1.00 0.00 C ATOM 0 H LEU A 92 -10.622 -10.159 10.991 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.912 -7.413 10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.211 -8.518 11.682 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.063 -8.162 9.973 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.988 -10.691 11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -13.886 -11.808 10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.472 -10.585 11.304 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -14.453 -10.228 9.560 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.714 -11.474 8.969 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.289 -9.898 8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.754 -10.006 9.268 1.00 0.00 H new ATOM 1419 N LYS A 93 -11.252 -8.000 13.474 1.00 0.00 N ATOM 1420 CA LYS A 93 -11.204 -7.298 14.790 1.00 0.00 C ATOM 1421 C LYS A 93 -9.799 -6.730 14.992 1.00 0.00 C ATOM 1422 O LYS A 93 -9.608 -5.680 15.573 1.00 0.00 O ATOM 1423 CB LYS A 93 -11.511 -8.374 15.834 1.00 0.00 C ATOM 1424 CG LYS A 93 -12.729 -9.190 15.390 1.00 0.00 C ATOM 1425 CD LYS A 93 -13.814 -8.250 14.860 1.00 0.00 C ATOM 1426 CE LYS A 93 -15.009 -9.072 14.373 1.00 0.00 C ATOM 1427 NZ LYS A 93 -16.182 -8.168 14.520 1.00 0.00 N ATOM 0 H LYS A 93 -11.351 -9.014 13.525 1.00 0.00 H new ATOM 0 HA LYS A 93 -11.911 -6.471 14.860 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -10.649 -9.029 15.960 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -11.704 -7.911 16.802 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -12.440 -9.901 14.616 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -13.115 -9.771 16.228 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -14.128 -7.561 15.644 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -13.419 -7.645 14.044 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -14.878 -9.384 13.337 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -15.132 -9.979 14.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -17.042 -8.661 14.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -16.286 -7.893 15.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -16.039 -7.317 13.940 1.00 0.00 H new ATOM 1441 N LEU A 94 -8.818 -7.433 14.500 1.00 0.00 N ATOM 1442 CA LEU A 94 -7.404 -6.980 14.625 1.00 0.00 C ATOM 1443 C LEU A 94 -7.221 -5.619 13.950 1.00 0.00 C ATOM 1444 O LEU A 94 -6.419 -4.810 14.372 1.00 0.00 O ATOM 1445 CB LEU A 94 -6.583 -8.059 13.917 1.00 0.00 C ATOM 1446 CG LEU A 94 -6.907 -9.425 14.528 1.00 0.00 C ATOM 1447 CD1 LEU A 94 -5.886 -10.459 14.054 1.00 0.00 C ATOM 1448 CD2 LEU A 94 -6.855 -9.325 16.055 1.00 0.00 C ATOM 0 H LEU A 94 -8.938 -8.318 14.008 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.097 -6.854 15.663 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.808 -8.062 12.851 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.519 -7.846 14.017 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.904 -9.732 14.213 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.121 -11.429 14.492 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.921 -10.533 12.967 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.887 -10.153 14.365 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.086 -10.297 16.491 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.857 -9.015 16.366 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.585 -8.592 16.397 1.00 0.00 H new ATOM 1460 N VAL A 95 -7.945 -5.365 12.894 1.00 0.00 N ATOM 1461 CA VAL A 95 -7.795 -4.062 12.183 1.00 0.00 C ATOM 1462 C VAL A 95 -7.956 -2.902 13.169 1.00 0.00 C ATOM 1463 O VAL A 95 -7.286 -1.897 13.064 1.00 0.00 O ATOM 1464 CB VAL A 95 -8.904 -4.033 11.130 1.00 0.00 C ATOM 1465 CG1 VAL A 95 -8.954 -5.375 10.397 1.00 0.00 C ATOM 1466 CG2 VAL A 95 -10.251 -3.769 11.807 1.00 0.00 C ATOM 0 H VAL A 95 -8.633 -6.002 12.493 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.811 -3.960 11.726 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.698 -3.238 10.414 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.745 -5.351 9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.997 -5.559 9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.156 -6.173 11.112 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -11.039 -3.749 11.054 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -10.458 -4.561 12.527 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -10.217 -2.809 12.322 1.00 0.00 H new ATOM 1476 N HIS A 96 -8.825 -3.022 14.133 1.00 0.00 N ATOM 1477 CA HIS A 96 -8.977 -1.905 15.108 1.00 0.00 C ATOM 1478 C HIS A 96 -7.603 -1.569 15.696 1.00 0.00 C ATOM 1479 O HIS A 96 -7.161 -0.437 15.666 1.00 0.00 O ATOM 1480 CB HIS A 96 -9.915 -2.440 16.190 1.00 0.00 C ATOM 1481 CG HIS A 96 -11.328 -2.029 15.876 1.00 0.00 C ATOM 1482 ND1 HIS A 96 -11.852 -2.103 14.596 1.00 0.00 N ATOM 1483 CD2 HIS A 96 -12.338 -1.538 16.667 1.00 0.00 C ATOM 1484 CE1 HIS A 96 -13.124 -1.667 14.653 1.00 0.00 C ATOM 1485 NE2 HIS A 96 -13.471 -1.310 15.893 1.00 0.00 N ATOM 0 H HIS A 96 -9.428 -3.830 14.288 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.375 -0.996 14.656 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.844 -3.526 16.243 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.621 -2.053 17.166 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -12.264 -1.356 17.729 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -13.784 -1.612 13.800 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -14.372 -0.948 16.205 1.00 0.00 H new ATOM 1493 N HIS A 97 -6.915 -2.553 16.210 1.00 0.00 N ATOM 1494 CA HIS A 97 -5.555 -2.307 16.776 1.00 0.00 C ATOM 1495 C HIS A 97 -4.529 -2.230 15.640 1.00 0.00 C ATOM 1496 O HIS A 97 -3.773 -1.287 15.526 1.00 0.00 O ATOM 1497 CB HIS A 97 -5.273 -3.517 17.668 1.00 0.00 C ATOM 1498 CG HIS A 97 -4.213 -3.165 18.675 1.00 0.00 C ATOM 1499 ND1 HIS A 97 -4.499 -2.452 19.828 1.00 0.00 N ATOM 1500 CD2 HIS A 97 -2.862 -3.419 18.718 1.00 0.00 C ATOM 1501 CE1 HIS A 97 -3.350 -2.302 20.510 1.00 0.00 C ATOM 1502 NE2 HIS A 97 -2.321 -2.873 19.878 1.00 0.00 N ATOM 0 H HIS A 97 -7.236 -3.520 16.263 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.496 -1.371 17.331 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.185 -3.826 18.178 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.946 -4.361 17.061 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.306 -3.960 17.966 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.269 -1.783 21.454 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.347 -2.902 20.181 1.00 0.00 H new ATOM 1510 N TYR A 98 -4.508 -3.232 14.803 1.00 0.00 N ATOM 1511 CA TYR A 98 -3.546 -3.262 13.661 1.00 0.00 C ATOM 1512 C TYR A 98 -3.882 -2.158 12.652 1.00 0.00 C ATOM 1513 O TYR A 98 -3.048 -1.735 11.876 1.00 0.00 O ATOM 1514 CB TYR A 98 -3.771 -4.641 13.037 1.00 0.00 C ATOM 1515 CG TYR A 98 -2.465 -5.254 12.585 1.00 0.00 C ATOM 1516 CD1 TYR A 98 -1.262 -4.925 13.225 1.00 0.00 C ATOM 1517 CD2 TYR A 98 -2.466 -6.164 11.521 1.00 0.00 C ATOM 1518 CE1 TYR A 98 -0.063 -5.509 12.796 1.00 0.00 C ATOM 1519 CE2 TYR A 98 -1.268 -6.746 11.094 1.00 0.00 C ATOM 1520 CZ TYR A 98 -0.066 -6.418 11.732 1.00 0.00 C ATOM 1521 OH TYR A 98 1.117 -6.990 11.311 1.00 0.00 O ATOM 0 H TYR A 98 -5.125 -4.042 14.862 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.513 -3.098 13.969 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.253 -5.297 13.762 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -4.448 -4.553 12.187 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.259 -4.224 14.046 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.394 -6.417 11.029 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.865 -5.257 13.287 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.270 -7.448 10.273 1.00 0.00 H new ATOM 0 HH TYR A 98 1.113 -7.946 11.526 1.00 0.00 H new ATOM 1531 N MET A 99 -5.100 -1.696 12.657 1.00 0.00 N ATOM 1532 CA MET A 99 -5.505 -0.626 11.699 1.00 0.00 C ATOM 1533 C MET A 99 -6.359 0.425 12.414 1.00 0.00 C ATOM 1534 O MET A 99 -6.561 0.350 13.609 1.00 0.00 O ATOM 1535 CB MET A 99 -6.326 -1.349 10.630 1.00 0.00 C ATOM 1536 CG MET A 99 -5.619 -1.238 9.279 1.00 0.00 C ATOM 1537 SD MET A 99 -6.610 -2.068 8.011 1.00 0.00 S ATOM 1538 CE MET A 99 -8.156 -1.178 8.313 1.00 0.00 C ATOM 0 H MET A 99 -5.838 -2.014 13.286 1.00 0.00 H new ATOM 0 HA MET A 99 -4.649 -0.103 11.273 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.452 -2.397 10.901 1.00 0.00 H new ATOM 0 HB3 MET A 99 -7.323 -0.914 10.567 1.00 0.00 H new ATOM 0 HG2 MET A 99 -5.476 -0.190 9.016 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.629 -1.690 9.336 1.00 0.00 H new ATOM 0 HE1 MET A 99 -8.747 -1.155 7.398 1.00 0.00 H new ATOM 0 HE2 MET A 99 -8.720 -1.684 9.096 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.933 -0.158 8.627 1.00 0.00 H new ATOM 2022 N ARG A 134 -7.356 2.153 22.342 1.00 0.00 N ATOM 2023 CA ARG A 134 -6.351 1.976 21.255 1.00 0.00 C ATOM 2024 C ARG A 134 -4.937 2.190 21.801 1.00 0.00 C ATOM 2025 O ARG A 134 -4.728 2.941 22.735 1.00 0.00 O ATOM 2026 CB ARG A 134 -6.696 3.047 20.220 1.00 0.00 C ATOM 2027 CG ARG A 134 -7.522 2.421 19.095 1.00 0.00 C ATOM 2028 CD ARG A 134 -7.208 3.128 17.775 1.00 0.00 C ATOM 2029 NE ARG A 134 -5.750 2.915 17.562 1.00 0.00 N ATOM 2030 CZ ARG A 134 -5.116 3.596 16.647 1.00 0.00 C ATOM 2031 NH1 ARG A 134 -5.759 4.467 15.918 1.00 0.00 N ATOM 2032 NH2 ARG A 134 -3.838 3.407 16.462 1.00 0.00 N ATOM 0 HA ARG A 134 -6.376 0.974 20.828 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -7.256 3.855 20.690 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -5.783 3.485 19.815 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.296 1.358 19.013 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.585 2.505 19.320 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.792 2.710 16.955 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.448 4.190 17.829 1.00 0.00 H new ATOM 0 HE ARG A 134 -5.246 2.236 18.132 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -6.758 4.616 16.063 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -5.263 4.999 15.203 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -3.335 2.727 17.032 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -3.342 3.939 15.747 1.00 0.00 H new ATOM 2046 N ALA A 135 -3.964 1.537 21.224 1.00 0.00 N ATOM 2047 CA ALA A 135 -2.558 1.696 21.700 1.00 0.00 C ATOM 2048 C ALA A 135 -1.701 0.543 21.182 1.00 0.00 C ATOM 2049 O ALA A 135 -1.354 -0.356 21.917 1.00 0.00 O ATOM 2050 CB ALA A 135 -2.627 1.646 23.229 1.00 0.00 C ATOM 0 H ALA A 135 -4.083 0.897 20.439 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.115 2.627 21.346 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -1.625 1.757 23.642 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -3.261 2.455 23.591 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -3.045 0.690 23.543 1.00 0.00 H new ATOM 2056 N TYR A 136 -1.355 0.561 19.925 1.00 0.00 N ATOM 2057 CA TYR A 136 -0.515 -0.539 19.378 1.00 0.00 C ATOM 2058 C TYR A 136 0.908 -0.020 19.142 1.00 0.00 C ATOM 2059 O TYR A 136 1.116 0.973 18.478 1.00 0.00 O ATOM 2060 CB TYR A 136 -1.215 -0.958 18.070 1.00 0.00 C ATOM 2061 CG TYR A 136 -0.491 -0.413 16.858 1.00 0.00 C ATOM 2062 CD1 TYR A 136 -0.386 0.967 16.661 1.00 0.00 C ATOM 2063 CD2 TYR A 136 0.070 -1.299 15.927 1.00 0.00 C ATOM 2064 CE1 TYR A 136 0.283 1.464 15.535 1.00 0.00 C ATOM 2065 CE2 TYR A 136 0.738 -0.804 14.799 1.00 0.00 C ATOM 2066 CZ TYR A 136 0.845 0.577 14.605 1.00 0.00 C ATOM 2067 OH TYR A 136 1.505 1.066 13.496 1.00 0.00 O ATOM 0 H TYR A 136 -1.616 1.286 19.256 1.00 0.00 H new ATOM 0 HA TYR A 136 -0.419 -1.392 20.050 1.00 0.00 H new ATOM 0 HB2 TYR A 136 -1.259 -2.046 18.011 1.00 0.00 H new ATOM 0 HB3 TYR A 136 -2.244 -0.597 18.074 1.00 0.00 H new ATOM 0 HD1 TYR A 136 -0.820 1.650 17.376 1.00 0.00 H new ATOM 0 HD2 TYR A 136 -0.013 -2.365 16.080 1.00 0.00 H new ATOM 0 HE1 TYR A 136 0.366 2.530 15.383 1.00 0.00 H new ATOM 0 HE2 TYR A 136 1.169 -1.487 14.082 1.00 0.00 H new ATOM 0 HH TYR A 136 2.212 1.682 13.781 1.00 0.00 H new ATOM 2077 N TYR A 137 1.895 -0.671 19.696 1.00 0.00 N ATOM 2078 CA TYR A 137 3.290 -0.186 19.498 1.00 0.00 C ATOM 2079 C TYR A 137 4.295 -1.323 19.658 1.00 0.00 C ATOM 2080 O TYR A 137 3.966 -2.404 20.102 1.00 0.00 O ATOM 2081 CB TYR A 137 3.491 0.924 20.528 1.00 0.00 C ATOM 2082 CG TYR A 137 3.689 0.385 21.923 1.00 0.00 C ATOM 2083 CD1 TYR A 137 4.941 -0.091 22.340 1.00 0.00 C ATOM 2084 CD2 TYR A 137 2.615 0.399 22.815 1.00 0.00 C ATOM 2085 CE1 TYR A 137 5.107 -0.556 23.648 1.00 0.00 C ATOM 2086 CE2 TYR A 137 2.779 -0.062 24.122 1.00 0.00 C ATOM 2087 CZ TYR A 137 4.027 -0.542 24.541 1.00 0.00 C ATOM 2088 OH TYR A 137 4.193 -0.993 25.834 1.00 0.00 O ATOM 0 H TYR A 137 1.798 -1.508 20.271 1.00 0.00 H new ATOM 0 HA TYR A 137 3.451 0.194 18.489 1.00 0.00 H new ATOM 0 HB2 TYR A 137 4.356 1.524 20.247 1.00 0.00 H new ATOM 0 HB3 TYR A 137 2.626 1.587 20.517 1.00 0.00 H new ATOM 0 HD1 TYR A 137 5.774 -0.098 21.653 1.00 0.00 H new ATOM 0 HD2 TYR A 137 1.653 0.768 22.492 1.00 0.00 H new ATOM 0 HE1 TYR A 137 6.069 -0.926 23.971 1.00 0.00 H new ATOM 0 HE2 TYR A 137 1.946 -0.049 24.809 1.00 0.00 H new ATOM 0 HH TYR A 137 4.238 -1.972 25.836 1.00 0.00 H new ATOM 2098 N ILE A 138 5.517 -1.093 19.270 1.00 0.00 N ATOM 2099 CA ILE A 138 6.542 -2.170 19.362 1.00 0.00 C ATOM 2100 C ILE A 138 7.449 -1.958 20.572 1.00 0.00 C ATOM 2101 O ILE A 138 7.699 -0.847 20.996 1.00 0.00 O ATOM 2102 CB ILE A 138 7.345 -2.061 18.068 1.00 0.00 C ATOM 2103 CG1 ILE A 138 6.405 -2.228 16.870 1.00 0.00 C ATOM 2104 CG2 ILE A 138 8.411 -3.158 18.033 1.00 0.00 C ATOM 2105 CD1 ILE A 138 6.253 -0.887 16.150 1.00 0.00 C ATOM 0 H ILE A 138 5.851 -0.206 18.893 1.00 0.00 H new ATOM 0 HA ILE A 138 6.087 -3.153 19.485 1.00 0.00 H new ATOM 0 HB ILE A 138 7.827 -1.084 18.022 1.00 0.00 H new ATOM 0 HG12 ILE A 138 6.801 -2.978 16.185 1.00 0.00 H new ATOM 0 HG13 ILE A 138 5.431 -2.585 17.205 1.00 0.00 H new ATOM 0 HG21 ILE A 138 8.984 -3.079 17.109 1.00 0.00 H new ATOM 0 HG22 ILE A 138 9.080 -3.042 18.886 1.00 0.00 H new ATOM 0 HG23 ILE A 138 7.930 -4.135 18.080 1.00 0.00 H new ATOM 0 HD11 ILE A 138 5.584 -1.006 15.297 1.00 0.00 H new ATOM 0 HD12 ILE A 138 5.838 -0.150 16.837 1.00 0.00 H new ATOM 0 HD13 ILE A 138 7.229 -0.549 15.801 1.00 0.00 H new ATOM 2117 N TYR A 139 7.931 -3.028 21.133 1.00 0.00 N ATOM 2118 CA TYR A 139 8.816 -2.921 22.327 1.00 0.00 C ATOM 2119 C TYR A 139 10.285 -3.041 21.931 1.00 0.00 C ATOM 2120 O TYR A 139 10.674 -3.917 21.185 1.00 0.00 O ATOM 2121 CB TYR A 139 8.404 -4.078 23.223 1.00 0.00 C ATOM 2122 CG TYR A 139 7.031 -3.799 23.762 1.00 0.00 C ATOM 2123 CD1 TYR A 139 5.934 -3.784 22.896 1.00 0.00 C ATOM 2124 CD2 TYR A 139 6.855 -3.545 25.123 1.00 0.00 C ATOM 2125 CE1 TYR A 139 4.654 -3.520 23.392 1.00 0.00 C ATOM 2126 CE2 TYR A 139 5.575 -3.280 25.624 1.00 0.00 C ATOM 2127 CZ TYR A 139 4.473 -3.270 24.757 1.00 0.00 C ATOM 2128 OH TYR A 139 3.211 -3.009 25.250 1.00 0.00 O ATOM 0 H TYR A 139 7.750 -3.980 20.815 1.00 0.00 H new ATOM 0 HA TYR A 139 8.713 -1.957 22.825 1.00 0.00 H new ATOM 0 HB2 TYR A 139 8.407 -5.012 22.661 1.00 0.00 H new ATOM 0 HB3 TYR A 139 9.115 -4.195 24.041 1.00 0.00 H new ATOM 0 HD1 TYR A 139 6.075 -3.977 21.843 1.00 0.00 H new ATOM 0 HD2 TYR A 139 7.705 -3.553 25.789 1.00 0.00 H new ATOM 0 HE1 TYR A 139 3.806 -3.509 22.723 1.00 0.00 H new ATOM 0 HE2 TYR A 139 5.436 -3.084 26.677 1.00 0.00 H new ATOM 0 HH TYR A 139 2.984 -2.070 25.087 1.00 0.00 H new ATOM 2138 N SER A 140 11.100 -2.161 22.434 1.00 0.00 N ATOM 2139 CA SER A 140 12.553 -2.211 22.101 1.00 0.00 C ATOM 2140 C SER A 140 13.292 -3.089 23.113 1.00 0.00 C ATOM 2141 O SER A 140 12.691 -3.867 23.827 1.00 0.00 O ATOM 2142 CB SER A 140 13.031 -0.763 22.197 1.00 0.00 C ATOM 2143 OG SER A 140 13.160 -0.224 20.888 1.00 0.00 O ATOM 0 H SER A 140 10.825 -1.407 23.063 1.00 0.00 H new ATOM 0 HA SER A 140 12.739 -2.635 21.114 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.323 -0.172 22.778 1.00 0.00 H new ATOM 0 HB3 SER A 140 13.988 -0.717 22.718 1.00 0.00 H new ATOM 0 HG SER A 140 13.465 0.706 20.946 1.00 0.00 H new ATOM 2149 N GLY A 141 14.590 -2.971 23.183 1.00 0.00 N ATOM 2150 CA GLY A 141 15.358 -3.800 24.156 1.00 0.00 C ATOM 2151 C GLY A 141 14.620 -3.821 25.493 1.00 0.00 C ATOM 2152 O GLY A 141 14.449 -4.856 26.106 1.00 0.00 O ATOM 0 H GLY A 141 15.150 -2.339 22.611 1.00 0.00 H new ATOM 0 HA2 GLY A 141 15.474 -4.815 23.775 1.00 0.00 H new ATOM 0 HA3 GLY A 141 16.360 -3.393 24.287 1.00 0.00 H new ATOM 2156 N GLY A 142 14.176 -2.682 25.950 1.00 0.00 N ATOM 2157 CA GLY A 142 13.444 -2.629 27.247 1.00 0.00 C ATOM 2158 C GLY A 142 12.621 -1.342 27.317 1.00 0.00 C ATOM 2159 O GLY A 142 12.209 -0.914 28.377 1.00 0.00 O ATOM 0 H GLY A 142 14.289 -1.784 25.480 1.00 0.00 H new ATOM 0 HA2 GLY A 142 12.791 -3.496 27.344 1.00 0.00 H new ATOM 0 HA3 GLY A 142 14.150 -2.667 28.077 1.00 0.00 H new ATOM 2163 N GLU A 143 12.377 -0.719 26.195 1.00 0.00 N ATOM 2164 CA GLU A 143 11.581 0.542 26.200 1.00 0.00 C ATOM 2165 C GLU A 143 10.322 0.382 25.343 1.00 0.00 C ATOM 2166 O GLU A 143 10.390 0.051 24.176 1.00 0.00 O ATOM 2167 CB GLU A 143 12.508 1.597 25.595 1.00 0.00 C ATOM 2168 CG GLU A 143 13.241 2.337 26.716 1.00 0.00 C ATOM 2169 CD GLU A 143 12.230 3.118 27.558 1.00 0.00 C ATOM 2170 OE1 GLU A 143 11.046 2.990 27.295 1.00 0.00 O ATOM 2171 OE2 GLU A 143 12.658 3.830 28.452 1.00 0.00 O ATOM 0 H GLU A 143 12.694 -1.029 25.276 1.00 0.00 H new ATOM 0 HA GLU A 143 11.249 0.814 27.202 1.00 0.00 H new ATOM 0 HB2 GLU A 143 13.227 1.124 24.926 1.00 0.00 H new ATOM 0 HB3 GLU A 143 11.932 2.302 24.996 1.00 0.00 H new ATOM 0 HG2 GLU A 143 13.781 1.627 27.343 1.00 0.00 H new ATOM 0 HG3 GLU A 143 13.981 3.017 26.294 1.00 0.00 H new ATOM 2178 N LYS A 144 9.173 0.618 25.913 1.00 0.00 N ATOM 2179 CA LYS A 144 7.908 0.485 25.133 1.00 0.00 C ATOM 2180 C LYS A 144 7.740 1.683 24.200 1.00 0.00 C ATOM 2181 O LYS A 144 7.404 2.772 24.619 1.00 0.00 O ATOM 2182 CB LYS A 144 6.799 0.463 26.183 1.00 0.00 C ATOM 2183 CG LYS A 144 7.069 -0.659 27.187 1.00 0.00 C ATOM 2184 CD LYS A 144 6.469 -0.286 28.545 1.00 0.00 C ATOM 2185 CE LYS A 144 5.035 -0.812 28.631 1.00 0.00 C ATOM 2186 NZ LYS A 144 4.670 -0.700 30.071 1.00 0.00 N ATOM 0 H LYS A 144 9.054 0.898 26.887 1.00 0.00 H new ATOM 0 HA LYS A 144 7.896 -0.409 24.509 1.00 0.00 H new ATOM 0 HB2 LYS A 144 6.752 1.423 26.698 1.00 0.00 H new ATOM 0 HB3 LYS A 144 5.832 0.311 25.703 1.00 0.00 H new ATOM 0 HG2 LYS A 144 6.635 -1.593 26.830 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.142 -0.823 27.285 1.00 0.00 H new ATOM 0 HD2 LYS A 144 7.071 -0.709 29.349 1.00 0.00 H new ATOM 0 HD3 LYS A 144 6.479 0.796 28.674 1.00 0.00 H new ATOM 0 HE2 LYS A 144 4.361 -0.226 28.006 1.00 0.00 H new ATOM 0 HE3 LYS A 144 4.972 -1.844 28.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 3.698 -1.042 30.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 5.324 -1.274 30.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 4.733 0.295 30.369 1.00 0.00 H new ATOM 2200 N ILE A 145 7.964 1.479 22.934 1.00 0.00 N ATOM 2201 CA ILE A 145 7.810 2.590 21.958 1.00 0.00 C ATOM 2202 C ILE A 145 6.385 2.577 21.409 1.00 0.00 C ATOM 2203 O ILE A 145 6.015 1.670 20.699 1.00 0.00 O ATOM 2204 CB ILE A 145 8.819 2.274 20.855 1.00 0.00 C ATOM 2205 CG1 ILE A 145 10.182 2.856 21.229 1.00 0.00 C ATOM 2206 CG2 ILE A 145 8.346 2.880 19.535 1.00 0.00 C ATOM 2207 CD1 ILE A 145 10.971 1.815 22.025 1.00 0.00 C ATOM 0 H ILE A 145 8.249 0.586 22.531 1.00 0.00 H new ATOM 0 HA ILE A 145 7.983 3.575 22.393 1.00 0.00 H new ATOM 0 HB ILE A 145 8.905 1.193 20.743 1.00 0.00 H new ATOM 0 HG12 ILE A 145 10.730 3.136 20.330 1.00 0.00 H new ATOM 0 HG13 ILE A 145 10.054 3.763 21.820 1.00 0.00 H new ATOM 0 HG21 ILE A 145 9.068 2.653 18.751 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.376 2.460 19.268 1.00 0.00 H new ATOM 0 HG23 ILE A 145 8.256 3.961 19.643 1.00 0.00 H new ATOM 0 HD11 ILE A 145 11.945 2.224 22.295 1.00 0.00 H new ATOM 0 HD12 ILE A 145 10.422 1.557 22.931 1.00 0.00 H new ATOM 0 HD13 ILE A 145 11.109 0.921 21.417 1.00 0.00 H new ATOM 2219 N PRO A 146 5.628 3.574 21.778 1.00 0.00 N ATOM 2220 CA PRO A 146 4.218 3.660 21.328 1.00 0.00 C ATOM 2221 C PRO A 146 4.117 4.125 19.870 1.00 0.00 C ATOM 2222 O PRO A 146 4.672 5.136 19.489 1.00 0.00 O ATOM 2223 CB PRO A 146 3.610 4.698 22.265 1.00 0.00 C ATOM 2224 CG PRO A 146 4.761 5.545 22.716 1.00 0.00 C ATOM 2225 CD PRO A 146 6.007 4.697 22.640 1.00 0.00 C ATOM 0 HA PRO A 146 3.711 2.696 21.362 1.00 0.00 H new ATOM 0 HB2 PRO A 146 2.857 5.297 21.753 1.00 0.00 H new ATOM 0 HB3 PRO A 146 3.116 4.222 23.112 1.00 0.00 H new ATOM 0 HG2 PRO A 146 4.859 6.427 22.083 1.00 0.00 H new ATOM 0 HG3 PRO A 146 4.600 5.899 23.734 1.00 0.00 H new ATOM 0 HD2 PRO A 146 6.844 5.256 22.221 1.00 0.00 H new ATOM 0 HD3 PRO A 146 6.316 4.354 23.628 1.00 0.00 H new ATOM 2233 N LEU A 147 3.383 3.404 19.059 1.00 0.00 N ATOM 2234 CA LEU A 147 3.210 3.809 17.634 1.00 0.00 C ATOM 2235 C LEU A 147 1.719 3.930 17.321 1.00 0.00 C ATOM 2236 O LEU A 147 0.969 2.991 17.491 1.00 0.00 O ATOM 2237 CB LEU A 147 3.834 2.685 16.800 1.00 0.00 C ATOM 2238 CG LEU A 147 5.359 2.687 16.951 1.00 0.00 C ATOM 2239 CD1 LEU A 147 5.881 4.123 17.040 1.00 0.00 C ATOM 2240 CD2 LEU A 147 5.740 1.933 18.222 1.00 0.00 C ATOM 0 H LEU A 147 2.895 2.549 19.326 1.00 0.00 H new ATOM 0 HA LEU A 147 3.679 4.769 17.420 1.00 0.00 H new ATOM 0 HB2 LEU A 147 3.433 1.723 17.118 1.00 0.00 H new ATOM 0 HB3 LEU A 147 3.566 2.811 15.751 1.00 0.00 H new ATOM 0 HG LEU A 147 5.803 2.201 16.082 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.966 4.110 17.147 1.00 0.00 H new ATOM 0 HD12 LEU A 147 5.612 4.665 16.133 1.00 0.00 H new ATOM 0 HD13 LEU A 147 5.437 4.619 17.903 1.00 0.00 H new ATOM 0 HD21 LEU A 147 6.824 1.932 18.333 1.00 0.00 H new ATOM 0 HD22 LEU A 147 5.287 2.422 19.085 1.00 0.00 H new ATOM 0 HD23 LEU A 147 5.381 0.906 18.157 1.00 0.00 H new ATOM 2252 N VAL A 148 1.271 5.063 16.865 1.00 0.00 N ATOM 2253 CA VAL A 148 -0.179 5.191 16.555 1.00 0.00 C ATOM 2254 C VAL A 148 -0.409 5.100 15.045 1.00 0.00 C ATOM 2255 O VAL A 148 0.056 5.926 14.285 1.00 0.00 O ATOM 2256 CB VAL A 148 -0.575 6.574 17.075 1.00 0.00 C ATOM 2257 CG1 VAL A 148 0.309 7.637 16.421 1.00 0.00 C ATOM 2258 CG2 VAL A 148 -2.040 6.846 16.729 1.00 0.00 C ATOM 0 H VAL A 148 1.835 5.896 16.695 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.770 4.398 17.014 1.00 0.00 H new ATOM 0 HB VAL A 148 -0.443 6.608 18.157 1.00 0.00 H new ATOM 0 HG11 VAL A 148 0.027 8.623 16.791 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.353 7.442 16.665 1.00 0.00 H new ATOM 0 HG13 VAL A 148 0.177 7.604 15.339 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -2.324 7.831 17.099 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -2.171 6.813 15.647 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -2.670 6.088 17.194 1.00 0.00 H new ATOM 2268 N LEU A 149 -1.131 4.105 14.606 1.00 0.00 N ATOM 2269 CA LEU A 149 -1.396 3.970 13.143 1.00 0.00 C ATOM 2270 C LEU A 149 -2.862 4.300 12.842 1.00 0.00 C ATOM 2271 O LEU A 149 -3.763 3.822 13.503 1.00 0.00 O ATOM 2272 CB LEU A 149 -1.093 2.506 12.820 1.00 0.00 C ATOM 2273 CG LEU A 149 -2.268 1.628 13.256 1.00 0.00 C ATOM 2274 CD1 LEU A 149 -3.246 1.475 12.092 1.00 0.00 C ATOM 2275 CD2 LEU A 149 -1.751 0.248 13.669 1.00 0.00 C ATOM 0 H LEU A 149 -1.548 3.382 15.193 1.00 0.00 H new ATOM 0 HA LEU A 149 -0.789 4.650 12.545 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -0.916 2.389 11.751 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -0.183 2.192 13.330 1.00 0.00 H new ATOM 0 HG LEU A 149 -2.775 2.094 14.101 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -4.084 0.850 12.401 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -3.616 2.457 11.796 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -2.737 1.009 11.248 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -2.589 -0.376 13.979 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -1.244 -0.218 12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -1.051 0.355 14.498 1.00 0.00 H new ATOM 2287 N SER A 150 -3.112 5.116 11.854 1.00 0.00 N ATOM 2288 CA SER A 150 -4.524 5.471 11.525 1.00 0.00 C ATOM 2289 C SER A 150 -4.597 6.229 10.195 1.00 0.00 C ATOM 2290 O SER A 150 -5.498 7.011 9.969 1.00 0.00 O ATOM 2291 CB SER A 150 -4.984 6.365 12.675 1.00 0.00 C ATOM 2292 OG SER A 150 -4.679 7.719 12.367 1.00 0.00 O ATOM 0 H SER A 150 -2.404 5.551 11.262 1.00 0.00 H new ATOM 0 HA SER A 150 -5.151 4.587 11.414 1.00 0.00 H new ATOM 0 HB2 SER A 150 -6.056 6.249 12.835 1.00 0.00 H new ATOM 0 HB3 SER A 150 -4.490 6.070 13.601 1.00 0.00 H new ATOM 0 HG SER A 150 -5.164 7.988 11.559 1.00 0.00 H new ATOM 2298 N ARG A 151 -3.663 6.002 9.312 1.00 0.00 N ATOM 2299 CA ARG A 151 -3.695 6.712 8.000 1.00 0.00 C ATOM 2300 C ARG A 151 -3.946 5.710 6.870 1.00 0.00 C ATOM 2301 O ARG A 151 -3.227 4.742 6.728 1.00 0.00 O ATOM 2302 CB ARG A 151 -2.312 7.347 7.863 1.00 0.00 C ATOM 2303 CG ARG A 151 -2.435 8.869 7.973 1.00 0.00 C ATOM 2304 CD ARG A 151 -1.953 9.322 9.352 1.00 0.00 C ATOM 2305 NE ARG A 151 -0.550 9.772 9.138 1.00 0.00 N ATOM 2306 CZ ARG A 151 -0.309 10.875 8.479 1.00 0.00 C ATOM 2307 NH1 ARG A 151 -1.298 11.587 8.012 1.00 0.00 N ATOM 2308 NH2 ARG A 151 0.922 11.265 8.290 1.00 0.00 N ATOM 0 H ARG A 151 -2.882 5.359 9.441 1.00 0.00 H new ATOM 0 HA ARG A 151 -4.489 7.456 7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -1.648 6.968 8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -1.869 7.076 6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -1.844 9.349 7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -3.471 9.173 7.820 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -2.572 10.130 9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -2.001 8.507 10.075 1.00 0.00 H new ATOM 0 HE ARG A 151 0.224 9.219 9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -2.260 11.283 8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -1.109 12.447 7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 151 1.695 10.709 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 151 1.111 12.125 7.776 1.00 0.00 H new ATOM 2322 N PRO A 152 -4.968 5.979 6.103 1.00 0.00 N ATOM 2323 CA PRO A 152 -5.327 5.089 4.973 1.00 0.00 C ATOM 2324 C PRO A 152 -4.334 5.252 3.819 1.00 0.00 C ATOM 2325 O PRO A 152 -4.047 6.350 3.384 1.00 0.00 O ATOM 2326 CB PRO A 152 -6.716 5.571 4.565 1.00 0.00 C ATOM 2327 CG PRO A 152 -6.783 6.995 5.018 1.00 0.00 C ATOM 2328 CD PRO A 152 -5.876 7.125 6.215 1.00 0.00 C ATOM 0 HA PRO A 152 -5.307 4.033 5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -6.860 5.493 3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -7.495 4.971 5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -6.467 7.668 4.221 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -7.806 7.268 5.279 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -5.330 8.069 6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -6.440 7.097 7.147 1.00 0.00 H new ATOM 2336 N LEU A 153 -3.810 4.166 3.318 1.00 0.00 N ATOM 2337 CA LEU A 153 -2.840 4.258 2.190 1.00 0.00 C ATOM 2338 C LEU A 153 -3.577 4.153 0.852 1.00 0.00 C ATOM 2339 O LEU A 153 -4.352 3.244 0.630 1.00 0.00 O ATOM 2340 CB LEU A 153 -1.900 3.066 2.378 1.00 0.00 C ATOM 2341 CG LEU A 153 -1.016 2.916 1.139 1.00 0.00 C ATOM 2342 CD1 LEU A 153 -0.203 4.195 0.931 1.00 0.00 C ATOM 2343 CD2 LEU A 153 -0.064 1.734 1.333 1.00 0.00 C ATOM 0 H LEU A 153 -4.012 3.220 3.641 1.00 0.00 H new ATOM 0 HA LEU A 153 -2.301 5.205 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -1.282 3.212 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -2.477 2.155 2.539 1.00 0.00 H new ATOM 0 HG LEU A 153 -1.644 2.740 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 153 0.426 4.086 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -0.880 5.038 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 153 0.425 4.373 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 153 0.567 1.626 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 153 0.562 1.911 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -0.642 0.822 1.480 1.00 0.00 H new ATOM 2355 N SER A 154 -3.343 5.075 -0.040 1.00 0.00 N ATOM 2356 CA SER A 154 -4.032 5.025 -1.361 1.00 0.00 C ATOM 2357 C SER A 154 -5.549 5.089 -1.166 1.00 0.00 C ATOM 2358 O SER A 154 -6.147 6.145 -1.220 1.00 0.00 O ATOM 2359 CB SER A 154 -3.626 3.682 -1.968 1.00 0.00 C ATOM 2360 OG SER A 154 -2.623 3.897 -2.952 1.00 0.00 O ATOM 0 H SER A 154 -2.705 5.861 0.088 1.00 0.00 H new ATOM 0 HA SER A 154 -3.758 5.862 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 154 -3.252 3.016 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 154 -4.492 3.195 -2.415 1.00 0.00 H new ATOM 0 HG SER A 154 -2.584 3.124 -3.554 1.00 0.00 H new ATOM 2510 N SER B 165 6.744 -8.073 16.606 1.00 0.00 N ATOM 2511 CA SER B 165 6.802 -7.480 17.973 1.00 0.00 C ATOM 2512 C SER B 165 5.386 -7.192 18.478 1.00 0.00 C ATOM 2513 O SER B 165 4.806 -6.170 18.169 1.00 0.00 O ATOM 2514 CB SER B 165 7.587 -6.179 17.808 1.00 0.00 C ATOM 2515 OG SER B 165 8.103 -5.778 19.070 1.00 0.00 O ATOM 0 HA SER B 165 7.271 -8.148 18.696 1.00 0.00 H new ATOM 0 HB2 SER B 165 8.401 -6.320 17.097 1.00 0.00 H new ATOM 0 HB3 SER B 165 6.941 -5.400 17.402 1.00 0.00 H new ATOM 0 HG SER B 165 9.081 -5.736 19.025 1.00 0.00 H new ATOM 2521 N THR B 166 4.827 -8.091 19.245 1.00 0.00 N ATOM 2522 CA THR B 166 3.443 -7.881 19.773 1.00 0.00 C ATOM 2523 C THR B 166 3.163 -6.386 19.961 1.00 0.00 C ATOM 2524 O THR B 166 3.878 -5.696 20.660 1.00 0.00 O ATOM 2525 CB THR B 166 3.420 -8.604 21.120 1.00 0.00 C ATOM 2526 OG1 THR B 166 4.295 -7.945 22.025 1.00 0.00 O ATOM 2527 CG2 THR B 166 3.873 -10.053 20.933 1.00 0.00 C ATOM 0 H THR B 166 5.269 -8.965 19.530 1.00 0.00 H new ATOM 0 HA THR B 166 2.681 -8.260 19.092 1.00 0.00 H new ATOM 0 HB THR B 166 2.406 -8.592 21.521 1.00 0.00 H new ATOM 0 HG1 THR B 166 4.434 -7.020 21.731 1.00 0.00 H new ATOM 0 HG21 THR B 166 3.856 -10.567 21.894 1.00 0.00 H new ATOM 0 HG22 THR B 166 3.200 -10.558 20.240 1.00 0.00 H new ATOM 0 HG23 THR B 166 4.886 -10.069 20.531 1.00 0.00 H new ATOM 2535 N VAL B 167 2.130 -5.882 19.342 1.00 0.00 N ATOM 2536 CA VAL B 167 1.815 -4.432 19.488 1.00 0.00 C ATOM 2537 C VAL B 167 0.829 -4.217 20.638 1.00 0.00 C ATOM 2538 O VAL B 167 -0.364 -4.128 20.434 1.00 0.00 O ATOM 2539 CB VAL B 167 1.180 -4.002 18.160 1.00 0.00 C ATOM 2540 CG1 VAL B 167 1.632 -2.584 17.818 1.00 0.00 C ATOM 2541 CG2 VAL B 167 1.617 -4.948 17.043 1.00 0.00 C ATOM 0 H VAL B 167 1.493 -6.409 18.744 1.00 0.00 H new ATOM 0 HA VAL B 167 2.709 -3.850 19.712 1.00 0.00 H new ATOM 0 HB VAL B 167 0.095 -4.033 18.257 1.00 0.00 H new ATOM 0 HG11 VAL B 167 1.182 -2.276 16.874 1.00 0.00 H new ATOM 0 HG12 VAL B 167 1.319 -1.902 18.609 1.00 0.00 H new ATOM 0 HG13 VAL B 167 2.718 -2.560 17.727 1.00 0.00 H new ATOM 0 HG21 VAL B 167 1.162 -4.636 16.103 1.00 0.00 H new ATOM 0 HG22 VAL B 167 2.702 -4.921 16.947 1.00 0.00 H new ATOM 0 HG23 VAL B 167 1.299 -5.963 17.281 1.00 0.00 H new ATOM 2551 N VAL B 168 1.320 -4.131 21.843 1.00 0.00 N ATOM 2552 CA VAL B 168 0.409 -3.917 23.003 1.00 0.00 C ATOM 2553 C VAL B 168 -0.612 -5.056 23.095 1.00 0.00 C ATOM 2554 O VAL B 168 -1.143 -5.509 22.101 1.00 0.00 O ATOM 2555 CB VAL B 168 -0.288 -2.589 22.711 1.00 0.00 C ATOM 2556 CG1 VAL B 168 -1.146 -2.187 23.911 1.00 0.00 C ATOM 2557 CG2 VAL B 168 0.766 -1.508 22.457 1.00 0.00 C ATOM 0 H VAL B 168 2.311 -4.199 22.075 1.00 0.00 H new ATOM 0 HA VAL B 168 0.943 -3.898 23.953 1.00 0.00 H new ATOM 0 HB VAL B 168 -0.922 -2.697 21.831 1.00 0.00 H new ATOM 0 HG11 VAL B 168 -1.643 -1.240 23.702 1.00 0.00 H new ATOM 0 HG12 VAL B 168 -1.895 -2.957 24.097 1.00 0.00 H new ATOM 0 HG13 VAL B 168 -0.512 -2.078 24.791 1.00 0.00 H new ATOM 0 HG21 VAL B 168 0.271 -0.559 22.248 1.00 0.00 H new ATOM 0 HG22 VAL B 168 1.398 -1.402 23.339 1.00 0.00 H new ATOM 0 HG23 VAL B 168 1.380 -1.792 21.603 1.00 0.00 H new