USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 692 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 85 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 72 CYS SG : rot 142:sc= 1.5 USER MOD Set 2.2: A 75 CYS SG : rot -65:sc= -0.206 USER MOD Set 2.3: A 98 CYS SG : rot -138:sc= 0.857 USER MOD Set 2.4: A 101 CYS SG : rot 150:sc= -1.19 USER MOD Set 3.1: A 57 CYS SG : rot 42:sc= 0.108 USER MOD Set 3.2: A 59 ASN : amide:sc= -0.959! C(o=-5.9!,f=-7.5!) USER MOD Set 3.3: A 60 CYS SG : rot -65:sc= -0.623 USER MOD Set 3.4: A 63 SER OG : rot 180:sc= 0 USER MOD Set 3.5: A 69 MET CE :methyl -114:sc= -0.163 (180deg=-1.16) USER MOD Set 3.6: A 80 HIS : no HD1:sc= -3.79! C(o=-5.9!,f=-5.5!) USER MOD Set 3.7: A 83 CYS SG : rot 62:sc= -0.478 USER MOD Set 4.1: A 25 CYS SG : rot 144:sc= 1.26 USER MOD Set 4.2: A 28 CYS SG : rot -54:sc= 0.481 USER MOD Set 4.3: A 51 CYS SG : rot -141:sc= -0.565 USER MOD Set 4.4: A 54 CYS SG : rot 125:sc= -1.82 USER MOD Set 5.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.1: A 10 CYS SG : rot -172:sc= 0.00442 USER MOD Set 6.2: A 13 CYS SG : rot -114:sc= -2.32 USER MOD Set 6.3: A 15 SER OG : rot 100:sc= 0.125 USER MOD Set 6.4: A 33 HIS : no HD1:sc= -1.04 X(o=-3.1,f=-3.5) USER MOD Set 6.5: A 36 CYS SG : rot 120:sc= 0.0979 USER MOD Single : A 9 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.4!) USER MOD Single : A 22 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.5) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.15) USER MOD Single : A 31 HIS : no HD1:sc= -9.04! C(o=-9!,f=-6.4!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -165:sc= -0.0192 (180deg=-0.228) USER MOD Single : A 42 THR OG1 : rot 170:sc= -1.07 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0.289 (180deg=0.277) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -0.335 (180deg=-0.435) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 61 LYS NZ :NH3+ -117:sc= 1.25 (180deg=-0.324) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -113:sc= 0.531 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.000928 USER MOD Single : A 88 MET CE :methyl -116:sc= -2.7! (180deg=-6.88!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 9:sc= 0.557 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0468 X(o=-0.047,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -18.037 4.662 1.675 1.00 0.00 N ATOM 67 CA ALA A 8 -16.677 4.137 1.700 1.00 0.00 C ATOM 68 C ALA A 8 -16.432 3.309 2.957 1.00 0.00 C ATOM 69 O ALA A 8 -16.049 3.842 3.998 1.00 0.00 O ATOM 70 CB ALA A 8 -15.671 5.275 1.610 1.00 0.00 C ATOM 0 HA ALA A 8 -16.549 3.485 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.660 4.869 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.824 5.823 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.808 5.949 2.455 1.00 0.00 H new ATOM 76 N ASN A 9 -16.654 2.003 2.852 1.00 0.00 N ATOM 77 CA ASN A 9 -16.458 1.101 3.981 1.00 0.00 C ATOM 78 C ASN A 9 -15.170 0.299 3.820 1.00 0.00 C ATOM 79 O ASN A 9 -14.660 0.139 2.711 1.00 0.00 O ATOM 80 CB ASN A 9 -17.650 0.151 4.115 1.00 0.00 C ATOM 81 CG ASN A 9 -18.072 -0.438 2.783 1.00 0.00 C ATOM 82 OD1 ASN A 9 -17.234 -0.777 1.948 1.00 0.00 O ATOM 83 ND2 ASN A 9 -19.379 -0.561 2.579 1.00 0.00 N ATOM 0 H ASN A 9 -16.970 1.546 1.997 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.379 1.704 4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.393 -0.656 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.491 0.687 4.555 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.724 -0.950 1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.038 -0.267 3.300 1.00 0.00 H new ATOM 90 N CYS A 10 -14.648 -0.202 4.934 1.00 0.00 N ATOM 91 CA CYS A 10 -13.420 -0.988 4.918 1.00 0.00 C ATOM 92 C CYS A 10 -13.564 -2.204 4.009 1.00 0.00 C ATOM 93 O CYS A 10 -14.467 -3.022 4.186 1.00 0.00 O ATOM 94 CB CYS A 10 -13.059 -1.437 6.335 1.00 0.00 C ATOM 95 SG CYS A 10 -11.434 -2.250 6.466 1.00 0.00 S ATOM 0 H CYS A 10 -15.057 -0.078 5.860 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.620 -0.358 4.528 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.073 -0.569 6.994 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.826 -2.123 6.694 1.00 0.00 H new ATOM 0 HG CYS A 10 -11.293 -2.748 7.659 1.00 0.00 H new ATOM 100 N ALA A 11 -12.668 -2.317 3.034 1.00 0.00 N ATOM 101 CA ALA A 11 -12.693 -3.434 2.098 1.00 0.00 C ATOM 102 C ALA A 11 -12.188 -4.714 2.757 1.00 0.00 C ATOM 103 O ALA A 11 -12.035 -5.743 2.099 1.00 0.00 O ATOM 104 CB ALA A 11 -11.862 -3.109 0.866 1.00 0.00 C ATOM 0 H ALA A 11 -11.915 -1.648 2.872 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.727 -3.597 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.890 -3.952 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.269 -2.225 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.831 -2.917 1.163 1.00 0.00 H new ATOM 110 N VAL A 12 -11.929 -4.642 4.058 1.00 0.00 N ATOM 111 CA VAL A 12 -11.442 -5.794 4.806 1.00 0.00 C ATOM 112 C VAL A 12 -12.457 -6.241 5.852 1.00 0.00 C ATOM 113 O VAL A 12 -12.642 -7.436 6.084 1.00 0.00 O ATOM 114 CB VAL A 12 -10.104 -5.486 5.504 1.00 0.00 C ATOM 115 CG1 VAL A 12 -9.600 -6.707 6.258 1.00 0.00 C ATOM 116 CG2 VAL A 12 -9.072 -5.012 4.491 1.00 0.00 C ATOM 0 H VAL A 12 -12.048 -3.797 4.616 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.291 -6.597 4.085 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.267 -4.685 6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.654 -6.469 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.332 -6.997 7.011 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.452 -7.531 5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.133 -4.799 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.911 -5.790 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.432 -4.107 4.001 1.00 0.00 H new ATOM 126 N CYS A 13 -13.113 -5.272 6.482 1.00 0.00 N ATOM 127 CA CYS A 13 -14.111 -5.564 7.505 1.00 0.00 C ATOM 128 C CYS A 13 -15.453 -4.930 7.152 1.00 0.00 C ATOM 129 O CYS A 13 -16.495 -5.326 7.674 1.00 0.00 O ATOM 130 CB CYS A 13 -13.637 -5.056 8.868 1.00 0.00 C ATOM 131 SG CYS A 13 -13.765 -3.251 9.075 1.00 0.00 S ATOM 0 H CYS A 13 -12.972 -4.278 6.302 1.00 0.00 H new ATOM 0 HA CYS A 13 -14.241 -6.645 7.553 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.222 -5.543 9.648 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.599 -5.355 9.014 1.00 0.00 H new ATOM 0 HG CYS A 13 -12.574 -2.742 9.191 1.00 0.00 H new ATOM 136 N ASP A 14 -15.419 -3.944 6.262 1.00 0.00 N ATOM 137 CA ASP A 14 -16.632 -3.255 5.838 1.00 0.00 C ATOM 138 C ASP A 14 -17.309 -2.567 7.020 1.00 0.00 C ATOM 139 O ASP A 14 -18.493 -2.779 7.279 1.00 0.00 O ATOM 140 CB ASP A 14 -17.601 -4.241 5.183 1.00 0.00 C ATOM 141 CG ASP A 14 -18.558 -3.561 4.223 1.00 0.00 C ATOM 142 OD1 ASP A 14 -18.201 -3.412 3.036 1.00 0.00 O ATOM 143 OD2 ASP A 14 -19.663 -3.176 4.660 1.00 0.00 O ATOM 0 H ASP A 14 -14.565 -3.604 5.820 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.352 -2.494 5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.034 -5.002 4.648 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.171 -4.754 5.957 1.00 0.00 H new ATOM 148 N SER A 15 -16.547 -1.744 7.734 1.00 0.00 N ATOM 149 CA SER A 15 -17.072 -1.029 8.891 1.00 0.00 C ATOM 150 C SER A 15 -16.743 0.458 8.806 1.00 0.00 C ATOM 151 O SER A 15 -15.584 0.859 8.699 1.00 0.00 O ATOM 152 CB SER A 15 -16.498 -1.616 10.182 1.00 0.00 C ATOM 153 OG SER A 15 -16.897 -2.966 10.350 1.00 0.00 O ATOM 0 H SER A 15 -15.565 -1.556 7.532 1.00 0.00 H new ATOM 0 HA SER A 15 -18.156 -1.144 8.897 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.410 -1.555 10.161 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.834 -1.025 11.034 1.00 0.00 H new ATOM 0 HG SER A 15 -16.169 -3.559 10.071 1.00 0.00 H new ATOM 159 N PRO A 16 -17.788 1.298 8.853 1.00 0.00 N ATOM 160 CA PRO A 16 -17.637 2.754 8.783 1.00 0.00 C ATOM 161 C PRO A 16 -16.991 3.331 10.038 1.00 0.00 C ATOM 162 O PRO A 16 -16.645 4.511 10.084 1.00 0.00 O ATOM 163 CB PRO A 16 -19.077 3.254 8.645 1.00 0.00 C ATOM 164 CG PRO A 16 -19.910 2.184 9.261 1.00 0.00 C ATOM 165 CD PRO A 16 -19.197 0.890 8.979 1.00 0.00 C ATOM 0 HA PRO A 16 -16.986 3.057 7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.216 4.207 9.156 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.343 3.411 7.600 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -20.019 2.344 10.334 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.914 2.177 8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.336 0.170 9.786 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.563 0.420 8.066 1.00 0.00 H new ATOM 173 N GLY A 17 -16.831 2.490 11.056 1.00 0.00 N ATOM 174 CA GLY A 17 -16.226 2.936 12.298 1.00 0.00 C ATOM 175 C GLY A 17 -15.193 4.023 12.082 1.00 0.00 C ATOM 176 O GLY A 17 -15.513 5.211 12.126 1.00 0.00 O ATOM 0 H GLY A 17 -17.109 1.509 11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.004 3.306 12.965 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.757 2.087 12.795 1.00 0.00 H new ATOM 180 N ASP A 18 -13.949 3.618 11.851 1.00 0.00 N ATOM 181 CA ASP A 18 -12.864 4.567 11.628 1.00 0.00 C ATOM 182 C ASP A 18 -12.813 5.000 10.166 1.00 0.00 C ATOM 183 O ASP A 18 -12.440 4.220 9.289 1.00 0.00 O ATOM 184 CB ASP A 18 -11.526 3.949 12.038 1.00 0.00 C ATOM 185 CG ASP A 18 -11.663 2.992 13.205 1.00 0.00 C ATOM 186 OD1 ASP A 18 -12.351 3.347 14.185 1.00 0.00 O ATOM 187 OD2 ASP A 18 -11.081 1.889 13.140 1.00 0.00 O ATOM 0 H ASP A 18 -13.667 2.639 11.813 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.052 5.448 12.242 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.098 3.420 11.187 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.829 4.743 12.304 1.00 0.00 H new ATOM 192 N LEU A 19 -13.190 6.248 9.911 1.00 0.00 N ATOM 193 CA LEU A 19 -13.188 6.786 8.555 1.00 0.00 C ATOM 194 C LEU A 19 -11.898 7.550 8.274 1.00 0.00 C ATOM 195 O LEU A 19 -11.285 7.388 7.218 1.00 0.00 O ATOM 196 CB LEU A 19 -14.393 7.704 8.348 1.00 0.00 C ATOM 197 CG LEU A 19 -15.710 7.013 7.988 1.00 0.00 C ATOM 198 CD1 LEU A 19 -16.838 8.029 7.898 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.571 6.249 6.680 1.00 0.00 C ATOM 0 H LEU A 19 -13.501 6.906 10.625 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.252 5.950 7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.546 8.281 9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.151 8.415 7.558 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.953 6.301 8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.767 7.520 7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.953 8.531 8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.604 8.766 7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.517 5.764 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.305 6.941 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.791 5.494 6.781 1.00 0.00 H new ATOM 211 N LEU A 20 -11.489 8.380 9.227 1.00 0.00 N ATOM 212 CA LEU A 20 -10.270 9.168 9.084 1.00 0.00 C ATOM 213 C LEU A 20 -9.034 8.307 9.323 1.00 0.00 C ATOM 214 O LEU A 20 -8.061 8.377 8.572 1.00 0.00 O ATOM 215 CB LEU A 20 -10.282 10.346 10.060 1.00 0.00 C ATOM 216 CG LEU A 20 -11.090 11.569 9.626 1.00 0.00 C ATOM 217 CD1 LEU A 20 -10.362 12.327 8.527 1.00 0.00 C ATOM 218 CD2 LEU A 20 -12.478 11.154 9.161 1.00 0.00 C ATOM 0 H LEU A 20 -11.984 8.525 10.107 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.232 9.550 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.674 9.997 11.015 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.252 10.659 10.233 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.200 12.231 10.485 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.952 13.194 8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.391 12.658 8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.221 11.673 7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.039 12.037 8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.390 10.471 8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.001 10.656 9.977 1.00 0.00 H new ATOM 230 N ASP A 21 -9.080 7.494 10.373 1.00 0.00 N ATOM 231 CA ASP A 21 -7.965 6.616 10.710 1.00 0.00 C ATOM 232 C ASP A 21 -7.488 5.848 9.481 1.00 0.00 C ATOM 233 O ASP A 21 -6.287 5.686 9.267 1.00 0.00 O ATOM 234 CB ASP A 21 -8.374 5.638 11.812 1.00 0.00 C ATOM 235 CG ASP A 21 -7.180 4.966 12.461 1.00 0.00 C ATOM 236 OD1 ASP A 21 -6.321 4.439 11.722 1.00 0.00 O ATOM 237 OD2 ASP A 21 -7.104 4.967 13.707 1.00 0.00 O ATOM 0 H ASP A 21 -9.877 7.425 11.005 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.143 7.234 11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.946 6.170 12.572 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.032 4.877 11.393 1.00 0.00 H new ATOM 242 N GLN A 22 -8.437 5.377 8.679 1.00 0.00 N ATOM 243 CA GLN A 22 -8.113 4.624 7.473 1.00 0.00 C ATOM 244 C GLN A 22 -7.549 5.542 6.393 1.00 0.00 C ATOM 245 O GLN A 22 -7.734 6.759 6.439 1.00 0.00 O ATOM 246 CB GLN A 22 -9.355 3.902 6.948 1.00 0.00 C ATOM 247 CG GLN A 22 -10.557 4.815 6.763 1.00 0.00 C ATOM 248 CD GLN A 22 -11.757 4.089 6.188 1.00 0.00 C ATOM 249 OE1 GLN A 22 -11.827 2.860 6.218 1.00 0.00 O ATOM 250 NE2 GLN A 22 -12.711 4.848 5.660 1.00 0.00 N ATOM 0 H GLN A 22 -9.436 5.503 8.842 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.353 3.885 7.729 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.116 3.432 5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.620 3.102 7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.828 5.252 7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.285 5.639 6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.612 5.863 5.656 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.543 4.416 5.258 1.00 0.00 H new ATOM 259 N PHE A 23 -6.861 4.952 5.421 1.00 0.00 N ATOM 260 CA PHE A 23 -6.269 5.717 4.330 1.00 0.00 C ATOM 261 C PHE A 23 -7.178 5.708 3.104 1.00 0.00 C ATOM 262 O PHE A 23 -8.195 5.015 3.077 1.00 0.00 O ATOM 263 CB PHE A 23 -4.897 5.147 3.966 1.00 0.00 C ATOM 264 CG PHE A 23 -3.936 5.115 5.120 1.00 0.00 C ATOM 265 CD1 PHE A 23 -4.155 4.273 6.198 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.812 5.926 5.126 1.00 0.00 C ATOM 267 CE1 PHE A 23 -3.273 4.242 7.261 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.926 5.899 6.186 1.00 0.00 C ATOM 269 CZ PHE A 23 -2.156 5.055 7.255 1.00 0.00 C ATOM 0 H PHE A 23 -6.700 3.946 5.367 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.150 6.748 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.023 4.135 3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.467 5.743 3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.025 3.633 6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.626 6.587 4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.457 3.582 8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.055 6.537 6.179 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.464 5.031 8.084 1.00 0.00 H new ATOM 279 N PHE A 24 -6.803 6.482 2.092 1.00 0.00 N ATOM 280 CA PHE A 24 -7.584 6.566 0.863 1.00 0.00 C ATOM 281 C PHE A 24 -6.679 6.486 -0.363 1.00 0.00 C ATOM 282 O PHE A 24 -5.883 7.390 -0.622 1.00 0.00 O ATOM 283 CB PHE A 24 -8.389 7.866 0.832 1.00 0.00 C ATOM 284 CG PHE A 24 -8.775 8.300 -0.553 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.851 7.716 -1.201 1.00 0.00 C ATOM 286 CD2 PHE A 24 -8.061 9.292 -1.206 1.00 0.00 C ATOM 287 CE1 PHE A 24 -10.209 8.113 -2.476 1.00 0.00 C ATOM 288 CE2 PHE A 24 -8.415 9.693 -2.481 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.490 9.103 -3.117 1.00 0.00 C ATOM 0 H PHE A 24 -5.963 7.060 2.098 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.272 5.721 0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.292 7.739 1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.805 8.657 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.417 6.942 -0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.219 9.757 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -11.050 7.650 -2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.851 10.467 -2.980 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.768 9.415 -4.113 1.00 0.00 H new ATOM 299 N CYS A 25 -6.805 5.398 -1.115 1.00 0.00 N ATOM 300 CA CYS A 25 -6.000 5.197 -2.313 1.00 0.00 C ATOM 301 C CYS A 25 -6.262 6.300 -3.336 1.00 0.00 C ATOM 302 O CYS A 25 -7.334 6.905 -3.352 1.00 0.00 O ATOM 303 CB CYS A 25 -6.299 3.831 -2.932 1.00 0.00 C ATOM 304 SG CYS A 25 -5.155 3.352 -4.266 1.00 0.00 S ATOM 0 H CYS A 25 -7.458 4.641 -0.915 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.950 5.235 -2.024 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.264 3.074 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.316 3.837 -3.325 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.943 2.070 -4.217 1.00 0.00 H new ATOM 309 N THR A 26 -5.274 6.555 -4.189 1.00 0.00 N ATOM 310 CA THR A 26 -5.397 7.584 -5.213 1.00 0.00 C ATOM 311 C THR A 26 -5.677 6.968 -6.580 1.00 0.00 C ATOM 312 O THR A 26 -6.204 7.630 -7.475 1.00 0.00 O ATOM 313 CB THR A 26 -4.121 8.443 -5.302 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.988 7.611 -5.573 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.896 9.211 -4.009 1.00 0.00 C ATOM 0 H THR A 26 -4.381 6.063 -4.190 1.00 0.00 H new ATOM 0 HA THR A 26 -6.235 8.219 -4.924 1.00 0.00 H new ATOM 0 HB THR A 26 -4.247 9.159 -6.114 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.182 8.165 -5.630 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.990 9.810 -4.095 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.747 9.865 -3.822 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.789 8.509 -3.182 1.00 0.00 H new ATOM 323 N THR A 27 -5.323 5.697 -6.735 1.00 0.00 N ATOM 324 CA THR A 27 -5.536 4.992 -7.992 1.00 0.00 C ATOM 325 C THR A 27 -6.970 4.486 -8.103 1.00 0.00 C ATOM 326 O THR A 27 -7.724 4.916 -8.977 1.00 0.00 O ATOM 327 CB THR A 27 -4.571 3.800 -8.139 1.00 0.00 C ATOM 328 OG1 THR A 27 -3.216 4.252 -8.038 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.778 3.097 -9.472 1.00 0.00 C ATOM 0 H THR A 27 -4.887 5.134 -6.005 1.00 0.00 H new ATOM 0 HA THR A 27 -5.343 5.707 -8.791 1.00 0.00 H new ATOM 0 HB THR A 27 -4.779 3.092 -7.337 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.609 3.488 -8.131 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.086 2.259 -9.553 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.802 2.729 -9.534 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.595 3.799 -10.286 1.00 0.00 H new ATOM 337 N CYS A 28 -7.341 3.572 -7.213 1.00 0.00 N ATOM 338 CA CYS A 28 -8.685 3.008 -7.210 1.00 0.00 C ATOM 339 C CYS A 28 -9.637 3.874 -6.390 1.00 0.00 C ATOM 340 O CYS A 28 -10.771 4.124 -6.795 1.00 0.00 O ATOM 341 CB CYS A 28 -8.662 1.585 -6.650 1.00 0.00 C ATOM 342 SG CYS A 28 -8.221 1.487 -4.885 1.00 0.00 S ATOM 0 H CYS A 28 -6.729 3.206 -6.484 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.043 2.981 -8.239 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.644 1.134 -6.794 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.951 0.991 -7.225 1.00 0.00 H new ATOM 0 HG CYS A 28 -7.092 2.100 -4.685 1.00 0.00 H new ATOM 347 N GLY A 29 -9.165 4.329 -5.232 1.00 0.00 N ATOM 348 CA GLY A 29 -9.986 5.162 -4.373 1.00 0.00 C ATOM 349 C GLY A 29 -10.689 4.364 -3.292 1.00 0.00 C ATOM 350 O GLY A 29 -11.832 4.655 -2.942 1.00 0.00 O ATOM 0 H GLY A 29 -8.230 4.135 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.362 5.926 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.729 5.682 -4.978 1.00 0.00 H new ATOM 354 N GLN A 30 -10.004 3.355 -2.764 1.00 0.00 N ATOM 355 CA GLN A 30 -10.571 2.511 -1.719 1.00 0.00 C ATOM 356 C GLN A 30 -10.104 2.965 -0.340 1.00 0.00 C ATOM 357 O GLN A 30 -9.290 3.882 -0.219 1.00 0.00 O ATOM 358 CB GLN A 30 -10.183 1.049 -1.946 1.00 0.00 C ATOM 359 CG GLN A 30 -10.986 0.370 -3.044 1.00 0.00 C ATOM 360 CD GLN A 30 -12.465 0.293 -2.722 1.00 0.00 C ATOM 361 OE1 GLN A 30 -13.303 0.789 -3.476 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.795 -0.331 -1.598 1.00 0.00 N ATOM 0 H GLN A 30 -9.056 3.102 -3.043 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.656 2.602 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.124 0.998 -2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.317 0.497 -1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.849 0.914 -3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.599 -0.637 -3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.068 -0.728 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.776 -0.414 -1.330 1.00 0.00 H new ATOM 371 N HIS A 31 -10.623 2.318 0.699 1.00 0.00 N ATOM 372 CA HIS A 31 -10.259 2.656 2.070 1.00 0.00 C ATOM 373 C HIS A 31 -9.920 1.399 2.867 1.00 0.00 C ATOM 374 O HIS A 31 -10.404 0.309 2.562 1.00 0.00 O ATOM 375 CB HIS A 31 -11.398 3.414 2.752 1.00 0.00 C ATOM 376 CG HIS A 31 -12.040 4.445 1.875 1.00 0.00 C ATOM 377 ND1 HIS A 31 -12.325 5.724 2.303 1.00 0.00 N ATOM 378 CD2 HIS A 31 -12.451 4.380 0.587 1.00 0.00 C ATOM 379 CE1 HIS A 31 -12.885 6.402 1.317 1.00 0.00 C ATOM 380 NE2 HIS A 31 -12.972 5.609 0.264 1.00 0.00 N ATOM 0 H HIS A 31 -11.297 1.557 0.617 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.377 3.295 2.038 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.156 2.701 3.075 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.014 3.900 3.649 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.382 3.522 -0.065 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.215 7.429 1.364 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.363 5.868 -0.642 1.00 0.00 H new ATOM 389 N TYR A 32 -9.085 1.560 3.888 1.00 0.00 N ATOM 390 CA TYR A 32 -8.678 0.438 4.726 1.00 0.00 C ATOM 391 C TYR A 32 -8.205 0.923 6.093 1.00 0.00 C ATOM 392 O TYR A 32 -7.535 1.950 6.202 1.00 0.00 O ATOM 393 CB TYR A 32 -7.567 -0.360 4.042 1.00 0.00 C ATOM 394 CG TYR A 32 -7.956 -0.901 2.685 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.960 -0.080 1.564 1.00 0.00 C ATOM 396 CD2 TYR A 32 -8.319 -2.232 2.524 1.00 0.00 C ATOM 397 CE1 TYR A 32 -8.316 -0.570 0.322 1.00 0.00 C ATOM 398 CE2 TYR A 32 -8.675 -2.731 1.286 1.00 0.00 C ATOM 399 CZ TYR A 32 -8.672 -1.896 0.188 1.00 0.00 C ATOM 400 OH TYR A 32 -9.026 -2.388 -1.048 1.00 0.00 O ATOM 0 H TYR A 32 -8.677 2.456 4.155 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.544 -0.208 4.870 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.689 0.277 3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.279 -1.191 4.686 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.680 0.958 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.323 -2.888 3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -8.316 0.082 -0.539 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.954 -3.769 1.178 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.248 -3.339 -0.970 1.00 0.00 H new ATOM 410 N HIS A 33 -8.559 0.175 7.134 1.00 0.00 N ATOM 411 CA HIS A 33 -8.170 0.527 8.495 1.00 0.00 C ATOM 412 C HIS A 33 -6.704 0.188 8.746 1.00 0.00 C ATOM 413 O HIS A 33 -6.185 -0.795 8.218 1.00 0.00 O ATOM 414 CB HIS A 33 -9.055 -0.203 9.505 1.00 0.00 C ATOM 415 CG HIS A 33 -10.478 0.263 9.502 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.552 -0.597 9.595 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.001 1.509 9.420 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.674 0.099 9.567 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.368 1.380 9.462 1.00 0.00 N ATOM 0 H HIS A 33 -9.114 -0.678 7.061 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.302 1.602 8.618 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.031 -1.272 9.291 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.639 -0.068 10.504 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.447 2.432 9.337 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.672 -0.310 9.621 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.038 2.148 9.419 1.00 0.00 H new ATOM 427 N GLY A 34 -6.041 1.009 9.554 1.00 0.00 N ATOM 428 CA GLY A 34 -4.641 0.780 9.860 1.00 0.00 C ATOM 429 C GLY A 34 -4.417 -0.518 10.610 1.00 0.00 C ATOM 430 O GLY A 34 -3.299 -1.031 10.655 1.00 0.00 O ATOM 0 H GLY A 34 -6.449 1.829 10.003 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.067 0.764 8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.262 1.610 10.456 1.00 0.00 H new ATOM 434 N MET A 35 -5.481 -1.050 11.202 1.00 0.00 N ATOM 435 CA MET A 35 -5.395 -2.296 11.954 1.00 0.00 C ATOM 436 C MET A 35 -5.778 -3.486 11.081 1.00 0.00 C ATOM 437 O MET A 35 -5.098 -4.513 11.080 1.00 0.00 O ATOM 438 CB MET A 35 -6.303 -2.238 13.184 1.00 0.00 C ATOM 439 CG MET A 35 -6.141 -3.428 14.116 1.00 0.00 C ATOM 440 SD MET A 35 -7.138 -4.844 13.613 1.00 0.00 S ATOM 441 CE MET A 35 -5.926 -6.160 13.703 1.00 0.00 C ATOM 0 H MET A 35 -6.413 -0.637 11.175 1.00 0.00 H new ATOM 0 HA MET A 35 -4.362 -2.424 12.279 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.093 -1.323 13.737 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.341 -2.182 12.857 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.091 -3.720 14.147 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.420 -3.133 15.128 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.301 -7.037 13.176 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.995 -5.830 13.241 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.743 -6.415 14.747 1.00 0.00 H new ATOM 451 N CYS A 36 -6.870 -3.342 10.338 1.00 0.00 N ATOM 452 CA CYS A 36 -7.345 -4.406 9.461 1.00 0.00 C ATOM 453 C CYS A 36 -6.250 -4.838 8.489 1.00 0.00 C ATOM 454 O CYS A 36 -6.177 -6.003 8.097 1.00 0.00 O ATOM 455 CB CYS A 36 -8.578 -3.941 8.683 1.00 0.00 C ATOM 456 SG CYS A 36 -10.129 -4.016 9.635 1.00 0.00 S ATOM 0 H CYS A 36 -7.443 -2.498 10.326 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.615 -5.261 10.081 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.418 -2.916 8.349 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.683 -4.555 7.789 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.647 -2.826 9.714 1.00 0.00 H new ATOM 461 N LEU A 37 -5.401 -3.892 8.105 1.00 0.00 N ATOM 462 CA LEU A 37 -4.309 -4.173 7.179 1.00 0.00 C ATOM 463 C LEU A 37 -2.985 -4.309 7.924 1.00 0.00 C ATOM 464 O LEU A 37 -1.956 -4.631 7.329 1.00 0.00 O ATOM 465 CB LEU A 37 -4.205 -3.066 6.129 1.00 0.00 C ATOM 466 CG LEU A 37 -5.066 -3.245 4.878 1.00 0.00 C ATOM 467 CD1 LEU A 37 -5.008 -1.999 4.008 1.00 0.00 C ATOM 468 CD2 LEU A 37 -4.617 -4.468 4.092 1.00 0.00 C ATOM 0 H LEU A 37 -5.447 -2.923 8.420 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.523 -5.118 6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.475 -2.120 6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.163 -2.983 5.820 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.099 -3.398 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.627 -2.145 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.378 -1.143 4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.977 -1.815 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.241 -4.580 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.577 -4.345 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.711 -5.357 4.716 1.00 0.00 H new ATOM 480 N ASP A 38 -3.019 -4.063 9.229 1.00 0.00 N ATOM 481 CA ASP A 38 -1.822 -4.161 10.057 1.00 0.00 C ATOM 482 C ASP A 38 -0.806 -3.091 9.672 1.00 0.00 C ATOM 483 O ASP A 38 0.400 -3.337 9.671 1.00 0.00 O ATOM 484 CB ASP A 38 -1.195 -5.549 9.922 1.00 0.00 C ATOM 485 CG ASP A 38 -2.232 -6.654 9.902 1.00 0.00 C ATOM 486 OD1 ASP A 38 -2.762 -6.951 8.811 1.00 0.00 O ATOM 487 OD2 ASP A 38 -2.515 -7.223 10.978 1.00 0.00 O ATOM 0 H ASP A 38 -3.862 -3.794 9.736 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.114 -4.002 11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.606 -5.591 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.507 -5.716 10.751 1.00 0.00 H new ATOM 492 N ILE A 39 -1.302 -1.902 9.344 1.00 0.00 N ATOM 493 CA ILE A 39 -0.437 -0.795 8.957 1.00 0.00 C ATOM 494 C ILE A 39 -0.245 0.182 10.112 1.00 0.00 C ATOM 495 O ILE A 39 -1.198 0.536 10.804 1.00 0.00 O ATOM 496 CB ILE A 39 -1.006 -0.033 7.745 1.00 0.00 C ATOM 497 CG1 ILE A 39 -1.361 -1.010 6.622 1.00 0.00 C ATOM 498 CG2 ILE A 39 -0.008 1.005 7.255 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.969 -0.341 5.409 1.00 0.00 C ATOM 0 H ILE A 39 -2.298 -1.681 9.339 1.00 0.00 H new ATOM 0 HA ILE A 39 0.526 -1.227 8.685 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.915 0.483 8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.461 -1.545 6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.060 -1.753 7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.425 1.535 6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.200 1.716 8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.917 0.510 6.960 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.195 -1.094 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.887 0.171 5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.263 0.382 5.000 1.00 0.00 H new ATOM 511 N ALA A 40 0.996 0.615 10.313 1.00 0.00 N ATOM 512 CA ALA A 40 1.313 1.554 11.381 1.00 0.00 C ATOM 513 C ALA A 40 1.107 2.995 10.925 1.00 0.00 C ATOM 514 O ALA A 40 1.924 3.545 10.186 1.00 0.00 O ATOM 515 CB ALA A 40 2.743 1.349 11.857 1.00 0.00 C ATOM 0 H ALA A 40 1.797 0.330 9.750 1.00 0.00 H new ATOM 0 HA ALA A 40 0.634 1.363 12.212 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.966 2.057 12.655 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.860 0.332 12.231 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.430 1.511 11.026 1.00 0.00 H new ATOM 521 N VAL A 41 0.011 3.601 11.370 1.00 0.00 N ATOM 522 CA VAL A 41 -0.302 4.978 11.008 1.00 0.00 C ATOM 523 C VAL A 41 0.899 5.891 11.231 1.00 0.00 C ATOM 524 O VAL A 41 1.278 6.170 12.368 1.00 0.00 O ATOM 525 CB VAL A 41 -1.497 5.514 11.817 1.00 0.00 C ATOM 526 CG1 VAL A 41 -1.801 6.954 11.432 1.00 0.00 C ATOM 527 CG2 VAL A 41 -2.718 4.630 11.611 1.00 0.00 C ATOM 0 H VAL A 41 -0.675 3.160 11.982 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.562 4.975 9.949 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.235 5.494 12.875 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.649 7.315 12.014 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.930 7.577 11.635 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.043 7.003 10.370 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.554 5.023 12.190 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.983 4.617 10.554 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.493 3.616 11.941 1.00 0.00 H new ATOM 537 N THR A 42 1.494 6.355 10.136 1.00 0.00 N ATOM 538 CA THR A 42 2.652 7.236 10.211 1.00 0.00 C ATOM 539 C THR A 42 2.431 8.506 9.397 1.00 0.00 C ATOM 540 O THR A 42 1.660 8.530 8.437 1.00 0.00 O ATOM 541 CB THR A 42 3.927 6.533 9.708 1.00 0.00 C ATOM 542 OG1 THR A 42 3.712 6.012 8.392 1.00 0.00 O ATOM 543 CG2 THR A 42 4.329 5.405 10.646 1.00 0.00 C ATOM 0 H THR A 42 1.192 6.135 9.187 1.00 0.00 H new ATOM 0 HA THR A 42 2.781 7.499 11.261 1.00 0.00 H new ATOM 0 HB THR A 42 4.733 7.266 9.681 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.566 5.714 8.015 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.232 4.924 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.520 5.809 11.640 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.523 4.673 10.701 1.00 0.00 H new ATOM 551 N PRO A 43 3.122 9.588 9.786 1.00 0.00 N ATOM 552 CA PRO A 43 3.018 10.881 9.103 1.00 0.00 C ATOM 553 C PRO A 43 3.649 10.856 7.715 1.00 0.00 C ATOM 554 O PRO A 43 3.723 11.882 7.038 1.00 0.00 O ATOM 555 CB PRO A 43 3.789 11.830 10.024 1.00 0.00 C ATOM 556 CG PRO A 43 4.751 10.955 10.751 1.00 0.00 C ATOM 557 CD PRO A 43 4.059 9.631 10.921 1.00 0.00 C ATOM 0 HA PRO A 43 1.981 11.173 8.938 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.308 12.600 9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.119 12.342 10.715 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.678 10.842 10.188 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.015 11.384 11.717 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.765 8.801 10.891 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.537 9.570 11.876 1.00 0.00 H new ATOM 565 N LEU A 44 4.101 9.679 7.297 1.00 0.00 N ATOM 566 CA LEU A 44 4.725 9.521 5.988 1.00 0.00 C ATOM 567 C LEU A 44 3.757 8.882 4.997 1.00 0.00 C ATOM 568 O LEU A 44 3.588 9.366 3.878 1.00 0.00 O ATOM 569 CB LEU A 44 5.990 8.669 6.104 1.00 0.00 C ATOM 570 CG LEU A 44 7.096 8.969 5.091 1.00 0.00 C ATOM 571 CD1 LEU A 44 8.406 8.331 5.527 1.00 0.00 C ATOM 572 CD2 LEU A 44 6.698 8.480 3.706 1.00 0.00 C ATOM 0 H LEU A 44 4.047 8.820 7.845 1.00 0.00 H new ATOM 0 HA LEU A 44 4.993 10.511 5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.399 8.796 7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.708 7.621 6.005 1.00 0.00 H new ATOM 0 HG LEU A 44 7.238 10.049 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.181 8.555 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.699 8.729 6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.278 7.251 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.497 8.702 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.528 7.404 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.784 8.984 3.391 1.00 0.00 H new ATOM 584 N LYS A 45 3.123 7.792 5.417 1.00 0.00 N ATOM 585 CA LYS A 45 2.168 7.088 4.569 1.00 0.00 C ATOM 586 C LYS A 45 0.942 7.952 4.294 1.00 0.00 C ATOM 587 O LYS A 45 0.587 8.194 3.141 1.00 0.00 O ATOM 588 CB LYS A 45 1.742 5.774 5.228 1.00 0.00 C ATOM 589 CG LYS A 45 2.909 4.887 5.626 1.00 0.00 C ATOM 590 CD LYS A 45 2.461 3.746 6.524 1.00 0.00 C ATOM 591 CE LYS A 45 3.628 3.159 7.304 1.00 0.00 C ATOM 592 NZ LYS A 45 3.346 1.771 7.763 1.00 0.00 N ATOM 0 H LYS A 45 3.253 7.377 6.340 1.00 0.00 H new ATOM 0 HA LYS A 45 2.656 6.870 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.148 5.998 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.097 5.225 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.382 4.483 4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.661 5.484 6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.702 4.105 7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.997 2.966 5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.520 3.160 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.843 3.790 8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.195 1.376 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.563 1.784 8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.083 1.182 6.947 1.00 0.00 H new ATOM 606 N ARG A 46 0.300 8.416 5.362 1.00 0.00 N ATOM 607 CA ARG A 46 -0.886 9.254 5.235 1.00 0.00 C ATOM 608 C ARG A 46 -0.781 10.164 4.015 1.00 0.00 C ATOM 609 O ARG A 46 -1.699 10.231 3.197 1.00 0.00 O ATOM 610 CB ARG A 46 -1.079 10.096 6.498 1.00 0.00 C ATOM 611 CG ARG A 46 -1.493 9.285 7.714 1.00 0.00 C ATOM 612 CD ARG A 46 -1.501 10.135 8.975 1.00 0.00 C ATOM 613 NE ARG A 46 -2.639 11.050 9.011 1.00 0.00 N ATOM 614 CZ ARG A 46 -2.885 11.877 10.020 1.00 0.00 C ATOM 615 NH1 ARG A 46 -2.077 11.904 11.071 1.00 0.00 N ATOM 616 NH2 ARG A 46 -3.941 12.679 9.980 1.00 0.00 N ATOM 0 H ARG A 46 0.581 8.226 6.324 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.749 8.601 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.149 10.620 6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.835 10.857 6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.485 8.864 7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.809 8.447 7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.530 9.485 9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.575 10.706 9.033 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.280 11.054 8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.264 11.289 11.105 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.268 12.540 11.845 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.565 12.661 9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.129 13.314 10.756 1.00 0.00 H new ATOM 630 N ALA A 47 0.343 10.863 3.899 1.00 0.00 N ATOM 631 CA ALA A 47 0.569 11.768 2.778 1.00 0.00 C ATOM 632 C ALA A 47 0.904 10.994 1.507 1.00 0.00 C ATOM 633 O ALA A 47 2.010 10.478 1.357 1.00 0.00 O ATOM 634 CB ALA A 47 1.682 12.750 3.109 1.00 0.00 C ATOM 0 H ALA A 47 1.112 10.820 4.568 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.351 12.325 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.840 13.419 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.403 13.333 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.602 12.202 3.315 1.00 0.00 H new ATOM 640 N GLY A 48 -0.061 10.918 0.595 1.00 0.00 N ATOM 641 CA GLY A 48 0.152 10.205 -0.651 1.00 0.00 C ATOM 642 C GLY A 48 0.207 8.703 -0.457 1.00 0.00 C ATOM 643 O GLY A 48 1.155 8.049 -0.892 1.00 0.00 O ATOM 0 H GLY A 48 -0.985 11.337 0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.650 10.449 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.083 10.544 -1.105 1.00 0.00 H new ATOM 647 N TRP A 49 -0.810 8.155 0.198 1.00 0.00 N ATOM 648 CA TRP A 49 -0.873 6.720 0.450 1.00 0.00 C ATOM 649 C TRP A 49 -1.358 5.971 -0.786 1.00 0.00 C ATOM 650 O TRP A 49 -1.944 6.565 -1.691 1.00 0.00 O ATOM 651 CB TRP A 49 -1.797 6.429 1.634 1.00 0.00 C ATOM 652 CG TRP A 49 -1.856 4.977 1.998 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.877 4.244 2.607 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.950 4.081 1.775 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.297 2.947 2.776 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.565 2.821 2.275 1.00 0.00 C ATOM 657 CE3 TRP A 49 -4.218 4.220 1.205 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.403 1.711 2.219 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -5.048 3.117 1.149 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.639 1.876 1.654 1.00 0.00 C ATOM 0 H TRP A 49 -1.602 8.683 0.564 1.00 0.00 H new ATOM 0 HA TRP A 49 0.132 6.374 0.690 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.458 7.000 2.499 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.802 6.778 1.396 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.086 4.628 2.911 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.752 2.199 3.205 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.544 5.173 0.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.089 0.753 2.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.029 3.213 0.708 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.312 1.033 1.596 1.00 0.00 H new ATOM 671 N GLN A 50 -1.112 4.665 -0.816 1.00 0.00 N ATOM 672 CA GLN A 50 -1.524 3.837 -1.943 1.00 0.00 C ATOM 673 C GLN A 50 -1.825 2.412 -1.489 1.00 0.00 C ATOM 674 O GLN A 50 -0.957 1.725 -0.948 1.00 0.00 O ATOM 675 CB GLN A 50 -0.437 3.823 -3.019 1.00 0.00 C ATOM 676 CG GLN A 50 -0.612 4.904 -4.074 1.00 0.00 C ATOM 677 CD GLN A 50 0.085 4.566 -5.377 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.180 5.056 -5.654 1.00 0.00 O ATOM 679 NE2 GLN A 50 -0.547 3.723 -6.185 1.00 0.00 N ATOM 0 H GLN A 50 -0.630 4.158 -0.074 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.434 4.266 -2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.536 3.946 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.432 2.848 -3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.675 5.053 -4.263 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.221 5.847 -3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.453 3.341 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.126 3.458 -7.075 1.00 0.00 H new ATOM 688 N CYS A 51 -3.059 1.973 -1.712 1.00 0.00 N ATOM 689 CA CYS A 51 -3.475 0.630 -1.326 1.00 0.00 C ATOM 690 C CYS A 51 -2.564 -0.423 -1.952 1.00 0.00 C ATOM 691 O CYS A 51 -1.914 -0.190 -2.971 1.00 0.00 O ATOM 692 CB CYS A 51 -4.925 0.382 -1.747 1.00 0.00 C ATOM 693 SG CYS A 51 -5.107 -0.269 -3.438 1.00 0.00 S ATOM 0 H CYS A 51 -3.789 2.528 -2.158 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.400 0.551 -0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.380 -0.320 -1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.480 1.317 -1.667 1.00 0.00 H new ATOM 0 HG CYS A 51 -6.144 0.275 -4.003 1.00 0.00 H new ATOM 698 N PRO A 52 -2.516 -1.609 -1.329 1.00 0.00 N ATOM 699 CA PRO A 52 -1.690 -2.722 -1.807 1.00 0.00 C ATOM 700 C PRO A 52 -2.217 -3.317 -3.109 1.00 0.00 C ATOM 701 O PRO A 52 -1.534 -4.106 -3.761 1.00 0.00 O ATOM 702 CB PRO A 52 -1.785 -3.747 -0.674 1.00 0.00 C ATOM 703 CG PRO A 52 -3.077 -3.444 0.003 1.00 0.00 C ATOM 704 CD PRO A 52 -3.265 -1.957 -0.109 1.00 0.00 C ATOM 0 HA PRO A 52 -0.671 -2.407 -2.030 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.770 -4.766 -1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.946 -3.654 0.015 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.900 -3.978 -0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.053 -3.757 1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.318 -1.691 -0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.874 -1.436 0.765 1.00 0.00 H new ATOM 712 N GLU A 53 -3.433 -2.932 -3.481 1.00 0.00 N ATOM 713 CA GLU A 53 -4.050 -3.428 -4.705 1.00 0.00 C ATOM 714 C GLU A 53 -3.671 -2.556 -5.898 1.00 0.00 C ATOM 715 O GLU A 53 -3.877 -2.936 -7.051 1.00 0.00 O ATOM 716 CB GLU A 53 -5.572 -3.472 -4.555 1.00 0.00 C ATOM 717 CG GLU A 53 -6.039 -4.167 -3.287 1.00 0.00 C ATOM 718 CD GLU A 53 -6.248 -5.656 -3.481 1.00 0.00 C ATOM 719 OE1 GLU A 53 -5.245 -6.376 -3.664 1.00 0.00 O ATOM 720 OE2 GLU A 53 -7.415 -6.100 -3.450 1.00 0.00 O ATOM 0 H GLU A 53 -4.010 -2.278 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.681 -4.438 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.959 -2.453 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.999 -3.983 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.304 -4.007 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.972 -3.714 -2.951 1.00 0.00 H new ATOM 727 N CYS A 54 -3.115 -1.382 -5.613 1.00 0.00 N ATOM 728 CA CYS A 54 -2.708 -0.454 -6.660 1.00 0.00 C ATOM 729 C CYS A 54 -1.224 -0.118 -6.542 1.00 0.00 C ATOM 730 O CYS A 54 -0.597 0.326 -7.504 1.00 0.00 O ATOM 731 CB CYS A 54 -3.539 0.828 -6.586 1.00 0.00 C ATOM 732 SG CYS A 54 -5.308 0.589 -6.949 1.00 0.00 S ATOM 0 H CYS A 54 -2.936 -1.052 -4.665 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.879 -0.935 -7.623 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.438 1.257 -5.589 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.130 1.555 -7.288 1.00 0.00 H new ATOM 0 HG CYS A 54 -6.019 1.041 -5.959 1.00 0.00 H new ATOM 737 N LYS A 55 -0.667 -0.334 -5.355 1.00 0.00 N ATOM 738 CA LYS A 55 0.743 -0.057 -5.109 1.00 0.00 C ATOM 739 C LYS A 55 1.629 -0.859 -6.057 1.00 0.00 C ATOM 740 O LYS A 55 1.257 -1.946 -6.500 1.00 0.00 O ATOM 741 CB LYS A 55 1.103 -0.384 -3.658 1.00 0.00 C ATOM 742 CG LYS A 55 1.355 -1.862 -3.412 1.00 0.00 C ATOM 743 CD LYS A 55 1.721 -2.131 -1.962 1.00 0.00 C ATOM 744 CE LYS A 55 3.142 -1.685 -1.654 1.00 0.00 C ATOM 745 NZ LYS A 55 3.427 -1.711 -0.193 1.00 0.00 N ATOM 0 H LYS A 55 -1.171 -0.700 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 55 0.916 1.004 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.993 0.179 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.295 -0.049 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.464 -2.433 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.159 -2.208 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.024 -1.608 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.619 -3.196 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.847 -2.334 -2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.297 -0.676 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.312 -1.200 -0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.647 -1.255 0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.521 -2.697 0.125 1.00 0.00 H new ATOM 759 N VAL A 56 2.803 -0.317 -6.364 1.00 0.00 N ATOM 760 CA VAL A 56 3.743 -0.984 -7.257 1.00 0.00 C ATOM 761 C VAL A 56 5.168 -0.495 -7.019 1.00 0.00 C ATOM 762 O VAL A 56 5.388 0.497 -6.324 1.00 0.00 O ATOM 763 CB VAL A 56 3.373 -0.753 -8.734 1.00 0.00 C ATOM 764 CG1 VAL A 56 1.936 -1.177 -8.997 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.587 0.704 -9.116 1.00 0.00 C ATOM 0 H VAL A 56 3.126 0.582 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 56 3.686 -2.050 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 56 4.027 -1.366 -9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.692 -1.006 -10.046 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.821 -2.236 -8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.264 -0.593 -8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.320 0.849 -10.163 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.960 1.340 -8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.634 0.969 -8.968 1.00 0.00 H new ATOM 775 N CYS A 57 6.133 -1.199 -7.601 1.00 0.00 N ATOM 776 CA CYS A 57 7.538 -0.838 -7.454 1.00 0.00 C ATOM 777 C CYS A 57 7.833 0.493 -8.140 1.00 0.00 C ATOM 778 O CYS A 57 7.763 0.600 -9.364 1.00 0.00 O ATOM 779 CB CYS A 57 8.431 -1.934 -8.038 1.00 0.00 C ATOM 780 SG CYS A 57 10.214 -1.573 -7.937 1.00 0.00 S ATOM 0 H CYS A 57 5.968 -2.023 -8.179 1.00 0.00 H new ATOM 0 HA CYS A 57 7.751 -0.733 -6.390 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.230 -2.869 -7.514 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.161 -2.089 -9.083 1.00 0.00 H new ATOM 0 HG CYS A 57 10.486 -1.052 -6.778 1.00 0.00 H new ATOM 785 N GLN A 58 8.162 1.503 -7.341 1.00 0.00 N ATOM 786 CA GLN A 58 8.467 2.827 -7.871 1.00 0.00 C ATOM 787 C GLN A 58 9.783 2.815 -8.642 1.00 0.00 C ATOM 788 O GLN A 58 10.047 3.702 -9.453 1.00 0.00 O ATOM 789 CB GLN A 58 8.536 3.850 -6.736 1.00 0.00 C ATOM 790 CG GLN A 58 7.193 4.121 -6.079 1.00 0.00 C ATOM 791 CD GLN A 58 6.393 5.185 -6.805 1.00 0.00 C ATOM 792 OE1 GLN A 58 6.810 6.340 -6.892 1.00 0.00 O ATOM 793 NE2 GLN A 58 5.235 4.800 -7.330 1.00 0.00 N ATOM 0 H GLN A 58 8.224 1.430 -6.326 1.00 0.00 H new ATOM 0 HA GLN A 58 7.668 3.109 -8.557 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.236 3.495 -5.980 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.936 4.786 -7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.616 3.197 -6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.354 4.433 -5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.928 3.832 -7.234 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.653 5.472 -7.829 1.00 0.00 H new ATOM 802 N ASN A 59 10.606 1.803 -8.383 1.00 0.00 N ATOM 803 CA ASN A 59 11.895 1.676 -9.052 1.00 0.00 C ATOM 804 C ASN A 59 11.711 1.341 -10.529 1.00 0.00 C ATOM 805 O ASN A 59 12.142 2.091 -11.406 1.00 0.00 O ATOM 806 CB ASN A 59 12.741 0.596 -8.374 1.00 0.00 C ATOM 807 CG ASN A 59 12.609 0.622 -6.864 1.00 0.00 C ATOM 808 OD1 ASN A 59 12.043 -0.292 -6.263 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.131 1.673 -6.242 1.00 0.00 N ATOM 0 H ASN A 59 10.403 1.060 -7.715 1.00 0.00 H new ATOM 0 HA ASN A 59 12.411 2.633 -8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.440 -0.384 -8.745 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.787 0.733 -8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.072 1.746 -5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.591 2.407 -6.780 1.00 0.00 H new ATOM 816 N CYS A 60 11.068 0.210 -10.798 1.00 0.00 N ATOM 817 CA CYS A 60 10.826 -0.226 -12.168 1.00 0.00 C ATOM 818 C CYS A 60 9.406 0.121 -12.606 1.00 0.00 C ATOM 819 O CYS A 60 8.991 -0.202 -13.719 1.00 0.00 O ATOM 820 CB CYS A 60 11.056 -1.733 -12.294 1.00 0.00 C ATOM 821 SG CYS A 60 9.859 -2.748 -11.370 1.00 0.00 S ATOM 0 H CYS A 60 10.705 -0.422 -10.084 1.00 0.00 H new ATOM 0 HA CYS A 60 11.527 0.297 -12.819 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.013 -2.009 -13.348 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.061 -1.967 -11.943 1.00 0.00 H new ATOM 0 HG CYS A 60 9.995 -2.527 -10.096 1.00 0.00 H new ATOM 826 N LYS A 61 8.665 0.781 -11.722 1.00 0.00 N ATOM 827 CA LYS A 61 7.292 1.174 -12.017 1.00 0.00 C ATOM 828 C LYS A 61 6.463 -0.029 -12.454 1.00 0.00 C ATOM 829 O LYS A 61 5.598 0.085 -13.322 1.00 0.00 O ATOM 830 CB LYS A 61 7.269 2.247 -13.108 1.00 0.00 C ATOM 831 CG LYS A 61 7.968 3.535 -12.710 1.00 0.00 C ATOM 832 CD LYS A 61 7.131 4.344 -11.733 1.00 0.00 C ATOM 833 CE LYS A 61 7.663 5.761 -11.583 1.00 0.00 C ATOM 834 NZ LYS A 61 8.918 5.800 -10.782 1.00 0.00 N ATOM 0 H LYS A 61 8.992 1.055 -10.796 1.00 0.00 H new ATOM 0 HA LYS A 61 6.854 1.582 -11.106 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.742 1.850 -14.006 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.233 2.470 -13.365 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.932 3.302 -12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.168 4.132 -13.600 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.098 4.377 -12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.127 3.851 -10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.848 6.186 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.907 6.384 -11.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.759 6.350 -9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.200 4.831 -10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.673 6.246 -11.341 1.00 0.00 H new ATOM 848 N GLN A 62 6.733 -1.180 -11.847 1.00 0.00 N ATOM 849 CA GLN A 62 6.011 -2.404 -12.174 1.00 0.00 C ATOM 850 C GLN A 62 5.749 -3.233 -10.921 1.00 0.00 C ATOM 851 O GLN A 62 6.455 -3.104 -9.921 1.00 0.00 O ATOM 852 CB GLN A 62 6.800 -3.230 -13.191 1.00 0.00 C ATOM 853 CG GLN A 62 6.977 -2.537 -14.533 1.00 0.00 C ATOM 854 CD GLN A 62 7.098 -3.517 -15.684 1.00 0.00 C ATOM 855 OE1 GLN A 62 6.120 -4.154 -16.077 1.00 0.00 O ATOM 856 NE2 GLN A 62 8.301 -3.641 -16.231 1.00 0.00 N ATOM 0 H GLN A 62 7.446 -1.291 -11.126 1.00 0.00 H new ATOM 0 HA GLN A 62 5.052 -2.125 -12.609 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.782 -3.458 -12.777 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.291 -4.181 -13.347 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.129 -1.876 -14.711 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.868 -1.910 -14.499 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.083 -3.093 -15.873 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.443 -4.284 -17.010 1.00 0.00 H new ATOM 865 N SER A 63 4.729 -4.083 -10.983 1.00 0.00 N ATOM 866 CA SER A 63 4.370 -4.930 -9.852 1.00 0.00 C ATOM 867 C SER A 63 4.441 -6.406 -10.234 1.00 0.00 C ATOM 868 O SER A 63 4.843 -6.752 -11.344 1.00 0.00 O ATOM 869 CB SER A 63 2.964 -4.587 -9.356 1.00 0.00 C ATOM 870 OG SER A 63 2.858 -4.775 -7.955 1.00 0.00 O ATOM 0 H SER A 63 4.137 -4.203 -11.805 1.00 0.00 H new ATOM 0 HA SER A 63 5.085 -4.745 -9.050 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.729 -3.552 -9.606 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.232 -5.213 -9.867 1.00 0.00 H new ATOM 0 HG SER A 63 1.951 -4.548 -7.662 1.00 0.00 H new ATOM 876 N GLY A 64 4.046 -7.271 -9.305 1.00 0.00 N ATOM 877 CA GLY A 64 4.072 -8.699 -9.562 1.00 0.00 C ATOM 878 C GLY A 64 4.757 -9.475 -8.455 1.00 0.00 C ATOM 879 O GLY A 64 4.095 -10.071 -7.606 1.00 0.00 O ATOM 0 H GLY A 64 3.708 -7.008 -8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.051 -9.063 -9.678 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.586 -8.886 -10.505 1.00 0.00 H new ATOM 883 N GLU A 65 6.086 -9.470 -8.465 1.00 0.00 N ATOM 884 CA GLU A 65 6.860 -10.182 -7.454 1.00 0.00 C ATOM 885 C GLU A 65 6.571 -9.631 -6.061 1.00 0.00 C ATOM 886 O GLU A 65 7.248 -8.716 -5.591 1.00 0.00 O ATOM 887 CB GLU A 65 8.356 -10.076 -7.757 1.00 0.00 C ATOM 888 CG GLU A 65 8.716 -10.447 -9.186 1.00 0.00 C ATOM 889 CD GLU A 65 8.596 -11.935 -9.449 1.00 0.00 C ATOM 890 OE1 GLU A 65 8.694 -12.720 -8.482 1.00 0.00 O ATOM 891 OE2 GLU A 65 8.404 -12.316 -10.623 1.00 0.00 O ATOM 0 H GLU A 65 6.649 -8.981 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 65 6.566 -11.231 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.686 -9.056 -7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.903 -10.725 -7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.065 -9.907 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.736 -10.126 -9.395 1.00 0.00 H new ATOM 898 N ASP A 66 5.562 -10.194 -5.406 1.00 0.00 N ATOM 899 CA ASP A 66 5.183 -9.761 -4.066 1.00 0.00 C ATOM 900 C ASP A 66 6.206 -10.227 -3.035 1.00 0.00 C ATOM 901 O ASP A 66 6.795 -9.416 -2.319 1.00 0.00 O ATOM 902 CB ASP A 66 3.797 -10.298 -3.706 1.00 0.00 C ATOM 903 CG ASP A 66 2.685 -9.560 -4.425 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.465 -8.370 -4.115 1.00 0.00 O ATOM 905 OD2 ASP A 66 2.036 -10.171 -5.299 1.00 0.00 O ATOM 0 H ASP A 66 4.991 -10.952 -5.781 1.00 0.00 H new ATOM 0 HA ASP A 66 5.155 -8.671 -4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.746 -11.358 -3.955 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.647 -10.215 -2.630 1.00 0.00 H new ATOM 910 N SER A 67 6.412 -11.538 -2.963 1.00 0.00 N ATOM 911 CA SER A 67 7.361 -12.112 -2.016 1.00 0.00 C ATOM 912 C SER A 67 8.672 -11.333 -2.020 1.00 0.00 C ATOM 913 O SER A 67 9.204 -10.983 -0.966 1.00 0.00 O ATOM 914 CB SER A 67 7.626 -13.581 -2.354 1.00 0.00 C ATOM 915 OG SER A 67 7.881 -13.747 -3.738 1.00 0.00 O ATOM 0 H SER A 67 5.935 -12.223 -3.549 1.00 0.00 H new ATOM 0 HA SER A 67 6.925 -12.049 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.478 -13.942 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.766 -14.185 -2.064 1.00 0.00 H new ATOM 0 HG SER A 67 8.049 -14.694 -3.928 1.00 0.00 H new ATOM 921 N LYS A 68 9.190 -11.064 -3.214 1.00 0.00 N ATOM 922 CA LYS A 68 10.438 -10.325 -3.359 1.00 0.00 C ATOM 923 C LYS A 68 10.245 -8.855 -3.001 1.00 0.00 C ATOM 924 O LYS A 68 11.108 -8.240 -2.376 1.00 0.00 O ATOM 925 CB LYS A 68 10.964 -10.448 -4.791 1.00 0.00 C ATOM 926 CG LYS A 68 11.528 -11.820 -5.116 1.00 0.00 C ATOM 927 CD LYS A 68 12.523 -11.756 -6.263 1.00 0.00 C ATOM 928 CE LYS A 68 11.828 -11.884 -7.610 1.00 0.00 C ATOM 929 NZ LYS A 68 11.555 -13.305 -7.962 1.00 0.00 N ATOM 0 H LYS A 68 8.764 -11.347 -4.096 1.00 0.00 H new ATOM 0 HA LYS A 68 11.167 -10.755 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.156 -10.223 -5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.739 -9.699 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.015 -12.233 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.714 -12.497 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.068 -10.813 -6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.258 -12.554 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.890 -11.329 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.449 -11.431 -8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.134 -13.577 -8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.792 -13.915 -7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.548 -13.417 -8.196 1.00 0.00 H new ATOM 943 N MET A 69 9.106 -8.298 -3.401 1.00 0.00 N ATOM 944 CA MET A 69 8.799 -6.900 -3.120 1.00 0.00 C ATOM 945 C MET A 69 8.887 -6.615 -1.624 1.00 0.00 C ATOM 946 O MET A 69 8.134 -7.180 -0.829 1.00 0.00 O ATOM 947 CB MET A 69 7.403 -6.548 -3.637 1.00 0.00 C ATOM 948 CG MET A 69 6.994 -5.112 -3.353 1.00 0.00 C ATOM 949 SD MET A 69 5.362 -4.713 -4.006 1.00 0.00 S ATOM 950 CE MET A 69 5.790 -3.559 -5.307 1.00 0.00 C ATOM 0 H MET A 69 8.381 -8.793 -3.920 1.00 0.00 H new ATOM 0 HA MET A 69 9.535 -6.282 -3.634 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.369 -6.721 -4.713 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.676 -7.221 -3.183 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.002 -4.942 -2.276 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.730 -4.436 -3.788 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.403 -2.571 -5.059 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.874 -3.509 -5.407 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.354 -3.894 -6.248 1.00 0.00 H new ATOM 960 N LEU A 70 9.809 -5.736 -1.247 1.00 0.00 N ATOM 961 CA LEU A 70 9.995 -5.376 0.155 1.00 0.00 C ATOM 962 C LEU A 70 9.138 -4.170 0.525 1.00 0.00 C ATOM 963 O LEU A 70 9.307 -3.082 -0.026 1.00 0.00 O ATOM 964 CB LEU A 70 11.468 -5.074 0.433 1.00 0.00 C ATOM 965 CG LEU A 70 12.407 -6.281 0.464 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.799 -5.887 -0.003 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.460 -6.879 1.862 1.00 0.00 C ATOM 0 H LEU A 70 10.439 -5.259 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 70 9.682 -6.222 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.826 -4.380 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.538 -4.560 1.392 1.00 0.00 H new ATOM 0 HG LEU A 70 12.019 -7.037 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.453 -6.759 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.746 -5.507 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.197 -5.113 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.133 -7.737 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.824 -6.129 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.461 -7.200 2.159 1.00 0.00 H new ATOM 979 N VAL A 71 8.218 -4.369 1.464 1.00 0.00 N ATOM 980 CA VAL A 71 7.337 -3.298 1.911 1.00 0.00 C ATOM 981 C VAL A 71 7.853 -2.662 3.197 1.00 0.00 C ATOM 982 O VAL A 71 7.825 -3.279 4.262 1.00 0.00 O ATOM 983 CB VAL A 71 5.903 -3.810 2.144 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.996 -2.674 2.590 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.364 -4.472 0.885 1.00 0.00 C ATOM 0 H VAL A 71 8.064 -5.263 1.930 1.00 0.00 H new ATOM 0 HA VAL A 71 7.323 -2.549 1.119 1.00 0.00 H new ATOM 0 HB VAL A 71 5.926 -4.556 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.987 -3.055 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.375 -2.249 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.975 -1.902 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.350 -4.828 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.354 -3.749 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.001 -5.314 0.615 1.00 0.00 H new ATOM 995 N CYS A 72 8.324 -1.424 3.092 1.00 0.00 N ATOM 996 CA CYS A 72 8.847 -0.703 4.246 1.00 0.00 C ATOM 997 C CYS A 72 7.808 -0.636 5.361 1.00 0.00 C ATOM 998 O CYS A 72 6.620 -0.863 5.132 1.00 0.00 O ATOM 999 CB CYS A 72 9.270 0.710 3.842 1.00 0.00 C ATOM 1000 SG CYS A 72 10.468 1.481 4.977 1.00 0.00 S ATOM 0 H CYS A 72 8.354 -0.899 2.218 1.00 0.00 H new ATOM 0 HA CYS A 72 9.718 -1.243 4.617 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.703 0.676 2.842 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.383 1.341 3.784 1.00 0.00 H new ATOM 0 HG CYS A 72 11.328 2.177 4.294 1.00 0.00 H new ATOM 1005 N ASP A 73 8.264 -0.321 6.569 1.00 0.00 N ATOM 1006 CA ASP A 73 7.375 -0.222 7.720 1.00 0.00 C ATOM 1007 C ASP A 73 7.136 1.237 8.098 1.00 0.00 C ATOM 1008 O ASP A 73 6.201 1.554 8.834 1.00 0.00 O ATOM 1009 CB ASP A 73 7.961 -0.981 8.911 1.00 0.00 C ATOM 1010 CG ASP A 73 7.524 -2.432 8.945 1.00 0.00 C ATOM 1011 OD1 ASP A 73 6.342 -2.703 8.649 1.00 0.00 O ATOM 1012 OD2 ASP A 73 8.365 -3.297 9.267 1.00 0.00 O ATOM 0 H ASP A 73 9.244 -0.130 6.776 1.00 0.00 H new ATOM 0 HA ASP A 73 6.419 -0.670 7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.049 -0.933 8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.656 -0.491 9.836 1.00 0.00 H new ATOM 1017 N THR A 74 7.988 2.122 7.590 1.00 0.00 N ATOM 1018 CA THR A 74 7.872 3.546 7.876 1.00 0.00 C ATOM 1019 C THR A 74 7.119 4.270 6.766 1.00 0.00 C ATOM 1020 O THR A 74 6.049 4.835 6.993 1.00 0.00 O ATOM 1021 CB THR A 74 9.256 4.199 8.052 1.00 0.00 C ATOM 1022 OG1 THR A 74 9.938 3.608 9.164 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.123 5.698 8.271 1.00 0.00 C ATOM 0 H THR A 74 8.766 1.877 6.978 1.00 0.00 H new ATOM 0 HA THR A 74 7.315 3.636 8.809 1.00 0.00 H new ATOM 0 HB THR A 74 9.831 4.031 7.142 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.818 4.027 9.268 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.113 6.137 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.629 6.149 7.410 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.531 5.884 9.167 1.00 0.00 H new ATOM 1031 N CYS A 75 7.684 4.248 5.563 1.00 0.00 N ATOM 1032 CA CYS A 75 7.066 4.902 4.416 1.00 0.00 C ATOM 1033 C CYS A 75 6.006 4.004 3.783 1.00 0.00 C ATOM 1034 O CYS A 75 5.078 4.485 3.133 1.00 0.00 O ATOM 1035 CB CYS A 75 8.128 5.266 3.376 1.00 0.00 C ATOM 1036 SG CYS A 75 8.921 3.827 2.589 1.00 0.00 S ATOM 0 H CYS A 75 8.569 3.784 5.358 1.00 0.00 H new ATOM 0 HA CYS A 75 6.583 5.814 4.767 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.668 5.882 2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.896 5.874 3.854 1.00 0.00 H new ATOM 0 HG CYS A 75 9.598 3.164 3.479 1.00 0.00 H new ATOM 1041 N ASP A 76 6.151 2.698 3.980 1.00 0.00 N ATOM 1042 CA ASP A 76 5.206 1.733 3.431 1.00 0.00 C ATOM 1043 C ASP A 76 5.221 1.766 1.905 1.00 0.00 C ATOM 1044 O ASP A 76 4.177 1.896 1.266 1.00 0.00 O ATOM 1045 CB ASP A 76 3.795 2.018 3.946 1.00 0.00 C ATOM 1046 CG ASP A 76 2.868 0.829 3.785 1.00 0.00 C ATOM 1047 OD1 ASP A 76 2.329 0.643 2.673 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.682 0.085 4.769 1.00 0.00 O ATOM 0 H ASP A 76 6.914 2.284 4.516 1.00 0.00 H new ATOM 0 HA ASP A 76 5.509 0.738 3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.845 2.296 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.382 2.872 3.410 1.00 0.00 H new ATOM 1053 N LYS A 77 6.411 1.647 1.328 1.00 0.00 N ATOM 1054 CA LYS A 77 6.563 1.663 -0.122 1.00 0.00 C ATOM 1055 C LYS A 77 7.046 0.309 -0.634 1.00 0.00 C ATOM 1056 O LYS A 77 7.756 -0.412 0.066 1.00 0.00 O ATOM 1057 CB LYS A 77 7.547 2.758 -0.541 1.00 0.00 C ATOM 1058 CG LYS A 77 6.957 4.157 -0.494 1.00 0.00 C ATOM 1059 CD LYS A 77 6.299 4.529 -1.812 1.00 0.00 C ATOM 1060 CE LYS A 77 5.531 5.837 -1.701 1.00 0.00 C ATOM 1061 NZ LYS A 77 4.648 6.063 -2.879 1.00 0.00 N ATOM 0 H LYS A 77 7.285 1.538 1.842 1.00 0.00 H new ATOM 0 HA LYS A 77 5.588 1.872 -0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.420 2.719 0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.895 2.554 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.223 4.217 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.742 4.877 -0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.060 4.617 -2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.621 3.733 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.929 5.829 -0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.234 6.665 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.142 6.964 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.225 6.096 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.960 5.286 -2.951 1.00 0.00 H new ATOM 1075 N GLY A 78 6.656 -0.029 -1.859 1.00 0.00 N ATOM 1076 CA GLY A 78 7.059 -1.295 -2.443 1.00 0.00 C ATOM 1077 C GLY A 78 8.346 -1.183 -3.237 1.00 0.00 C ATOM 1078 O GLY A 78 8.467 -0.333 -4.120 1.00 0.00 O ATOM 0 H GLY A 78 6.068 0.551 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.187 -2.033 -1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.265 -1.661 -3.094 1.00 0.00 H new ATOM 1082 N TYR A 79 9.309 -2.042 -2.923 1.00 0.00 N ATOM 1083 CA TYR A 79 10.594 -2.033 -3.611 1.00 0.00 C ATOM 1084 C TYR A 79 11.120 -3.453 -3.801 1.00 0.00 C ATOM 1085 O TYR A 79 11.406 -4.156 -2.832 1.00 0.00 O ATOM 1086 CB TYR A 79 11.611 -1.202 -2.827 1.00 0.00 C ATOM 1087 CG TYR A 79 11.178 0.229 -2.603 1.00 0.00 C ATOM 1088 CD1 TYR A 79 10.831 1.047 -3.671 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.113 0.763 -1.321 1.00 0.00 C ATOM 1090 CE1 TYR A 79 10.436 2.356 -3.470 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.717 2.070 -1.111 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.380 2.862 -2.188 1.00 0.00 C ATOM 1093 OH TYR A 79 9.985 4.164 -1.984 1.00 0.00 O ATOM 0 H TYR A 79 9.224 -2.753 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 79 10.448 -1.584 -4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 79 11.787 -1.675 -1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.561 -1.206 -3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.871 0.653 -4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.377 0.146 -0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.173 2.979 -4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.672 2.469 -0.108 1.00 0.00 H new ATOM 0 HH TYR A 79 9.998 4.363 -1.025 1.00 0.00 H new ATOM 1103 N HIS A 80 11.246 -3.868 -5.058 1.00 0.00 N ATOM 1104 CA HIS A 80 11.739 -5.203 -5.377 1.00 0.00 C ATOM 1105 C HIS A 80 13.203 -5.352 -4.976 1.00 0.00 C ATOM 1106 O HIS A 80 14.024 -4.474 -5.245 1.00 0.00 O ATOM 1107 CB HIS A 80 11.575 -5.487 -6.870 1.00 0.00 C ATOM 1108 CG HIS A 80 10.172 -5.313 -7.363 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.867 -4.970 -8.663 1.00 0.00 N ATOM 1110 CD2 HIS A 80 8.986 -5.439 -6.721 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.556 -4.891 -8.800 1.00 0.00 C ATOM 1112 NE2 HIS A 80 7.998 -5.171 -7.636 1.00 0.00 N ATOM 0 H HIS A 80 11.013 -3.299 -5.872 1.00 0.00 H new ATOM 0 HA HIS A 80 11.151 -5.925 -4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.233 -4.824 -7.432 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.899 -6.507 -7.075 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.844 -5.701 -5.683 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.030 -4.640 -9.709 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.996 -5.186 -7.447 1.00 0.00 H new ATOM 1120 N THR A 81 13.524 -6.468 -4.329 1.00 0.00 N ATOM 1121 CA THR A 81 14.889 -6.731 -3.889 1.00 0.00 C ATOM 1122 C THR A 81 15.895 -6.381 -4.979 1.00 0.00 C ATOM 1123 O THR A 81 16.859 -5.654 -4.738 1.00 0.00 O ATOM 1124 CB THR A 81 15.075 -8.207 -3.489 1.00 0.00 C ATOM 1125 OG1 THR A 81 14.563 -9.062 -4.517 1.00 0.00 O ATOM 1126 CG2 THR A 81 14.368 -8.505 -2.175 1.00 0.00 C ATOM 0 H THR A 81 12.857 -7.204 -4.098 1.00 0.00 H new ATOM 0 HA THR A 81 15.068 -6.101 -3.018 1.00 0.00 H new ATOM 0 HB THR A 81 16.141 -8.394 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.687 -9.998 -4.255 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.513 -9.553 -1.913 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.781 -7.874 -1.388 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.302 -8.302 -2.281 1.00 0.00 H new ATOM 1134 N PHE A 82 15.664 -6.901 -6.180 1.00 0.00 N ATOM 1135 CA PHE A 82 16.552 -6.643 -7.308 1.00 0.00 C ATOM 1136 C PHE A 82 16.506 -5.172 -7.710 1.00 0.00 C ATOM 1137 O PHE A 82 17.430 -4.660 -8.344 1.00 0.00 O ATOM 1138 CB PHE A 82 16.165 -7.521 -8.500 1.00 0.00 C ATOM 1139 CG PHE A 82 14.696 -7.493 -8.814 1.00 0.00 C ATOM 1140 CD1 PHE A 82 14.179 -6.546 -9.684 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.834 -8.412 -8.240 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.828 -6.518 -9.974 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.482 -8.389 -8.526 1.00 0.00 C ATOM 1144 CZ PHE A 82 11.978 -7.441 -9.395 1.00 0.00 C ATOM 0 H PHE A 82 14.870 -7.503 -6.397 1.00 0.00 H new ATOM 0 HA PHE A 82 17.569 -6.887 -7.001 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.722 -7.194 -9.378 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.465 -8.549 -8.296 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.839 -5.823 -10.140 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.223 -9.156 -7.560 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.437 -5.775 -10.653 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.821 -9.111 -8.071 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.922 -7.421 -9.621 1.00 0.00 H new ATOM 1154 N CYS A 83 15.424 -4.496 -7.339 1.00 0.00 N ATOM 1155 CA CYS A 83 15.256 -3.084 -7.660 1.00 0.00 C ATOM 1156 C CYS A 83 15.784 -2.202 -6.533 1.00 0.00 C ATOM 1157 O CYS A 83 15.415 -1.032 -6.419 1.00 0.00 O ATOM 1158 CB CYS A 83 13.781 -2.771 -7.919 1.00 0.00 C ATOM 1159 SG CYS A 83 13.127 -3.488 -9.461 1.00 0.00 S ATOM 0 H CYS A 83 14.650 -4.904 -6.815 1.00 0.00 H new ATOM 0 HA CYS A 83 15.830 -2.872 -8.562 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.190 -3.139 -7.081 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.650 -1.689 -7.950 1.00 0.00 H new ATOM 0 HG CYS A 83 13.202 -4.785 -9.403 1.00 0.00 H new ATOM 1164 N LEU A 84 16.650 -2.771 -5.701 1.00 0.00 N ATOM 1165 CA LEU A 84 17.231 -2.037 -4.582 1.00 0.00 C ATOM 1166 C LEU A 84 18.705 -1.736 -4.834 1.00 0.00 C ATOM 1167 O LEU A 84 19.410 -2.526 -5.461 1.00 0.00 O ATOM 1168 CB LEU A 84 17.076 -2.837 -3.287 1.00 0.00 C ATOM 1169 CG LEU A 84 15.694 -2.795 -2.634 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.708 -3.539 -1.307 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.240 -1.356 -2.437 1.00 0.00 C ATOM 0 H LEU A 84 16.965 -3.738 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 84 16.698 -1.091 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.327 -3.877 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.807 -2.470 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 84 14.985 -3.290 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.716 -3.499 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.988 -4.579 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.430 -3.073 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.255 -1.346 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.950 -0.835 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.189 -0.855 -3.404 1.00 0.00 H new ATOM 1183 N GLN A 85 19.163 -0.591 -4.339 1.00 0.00 N ATOM 1184 CA GLN A 85 20.554 -0.188 -4.510 1.00 0.00 C ATOM 1185 C GLN A 85 21.194 0.140 -3.165 1.00 0.00 C ATOM 1186 O GLN A 85 20.969 1.201 -2.584 1.00 0.00 O ATOM 1187 CB GLN A 85 20.645 1.024 -5.439 1.00 0.00 C ATOM 1188 CG GLN A 85 19.798 2.203 -4.988 1.00 0.00 C ATOM 1189 CD GLN A 85 19.523 3.187 -6.108 1.00 0.00 C ATOM 1190 OE1 GLN A 85 20.225 3.207 -7.119 1.00 0.00 O ATOM 1191 NE2 GLN A 85 18.495 4.010 -5.933 1.00 0.00 N ATOM 0 H GLN A 85 18.592 0.074 -3.817 1.00 0.00 H new ATOM 0 HA GLN A 85 21.096 -1.022 -4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 85 21.686 1.341 -5.508 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.335 0.727 -6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 85 18.851 1.835 -4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 85 20.305 2.719 -4.173 1.00 0.00 H new ATOM 0 HE21 GLN A 85 17.940 3.958 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 85 18.261 4.694 -6.653 1.00 0.00 H new ATOM 1200 N PRO A 86 22.013 -0.794 -2.656 1.00 0.00 N ATOM 1201 CA PRO A 86 22.288 -2.062 -3.338 1.00 0.00 C ATOM 1202 C PRO A 86 21.078 -2.989 -3.349 1.00 0.00 C ATOM 1203 O PRO A 86 20.030 -2.666 -2.788 1.00 0.00 O ATOM 1204 CB PRO A 86 23.421 -2.671 -2.509 1.00 0.00 C ATOM 1205 CG PRO A 86 23.265 -2.071 -1.155 1.00 0.00 C ATOM 1206 CD PRO A 86 22.732 -0.683 -1.376 1.00 0.00 C ATOM 0 HA PRO A 86 22.541 -1.914 -4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.344 -3.758 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.395 -2.435 -2.937 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.580 -2.659 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.219 -2.043 -0.628 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.069 -0.374 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.535 0.052 -1.428 1.00 0.00 H new ATOM 1214 N VAL A 87 21.228 -4.143 -3.991 1.00 0.00 N ATOM 1215 CA VAL A 87 20.148 -5.119 -4.073 1.00 0.00 C ATOM 1216 C VAL A 87 20.115 -6.009 -2.836 1.00 0.00 C ATOM 1217 O VAL A 87 21.148 -6.271 -2.220 1.00 0.00 O ATOM 1218 CB VAL A 87 20.285 -6.004 -5.325 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.529 -7.311 -5.141 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.792 -5.263 -6.559 1.00 0.00 C ATOM 0 H VAL A 87 22.088 -4.425 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 87 19.217 -4.555 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 87 21.340 -6.239 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.637 -7.923 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 87 19.934 -7.848 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.473 -7.100 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.897 -5.904 -7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 87 18.743 -4.996 -6.428 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.382 -4.358 -6.700 1.00 0.00 H new ATOM 1230 N MET A 88 18.921 -6.470 -2.477 1.00 0.00 N ATOM 1231 CA MET A 88 18.754 -7.333 -1.313 1.00 0.00 C ATOM 1232 C MET A 88 18.874 -8.803 -1.704 1.00 0.00 C ATOM 1233 O MET A 88 18.110 -9.300 -2.532 1.00 0.00 O ATOM 1234 CB MET A 88 17.398 -7.078 -0.653 1.00 0.00 C ATOM 1235 CG MET A 88 17.385 -5.862 0.259 1.00 0.00 C ATOM 1236 SD MET A 88 18.235 -6.156 1.822 1.00 0.00 S ATOM 1237 CE MET A 88 16.861 -6.624 2.871 1.00 0.00 C ATOM 0 H MET A 88 18.056 -6.261 -2.975 1.00 0.00 H new ATOM 0 HA MET A 88 19.546 -7.099 -0.602 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.644 -6.948 -1.429 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.113 -7.958 -0.076 1.00 0.00 H new ATOM 0 HG2 MET A 88 17.856 -5.023 -0.254 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.353 -5.574 0.460 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.741 -5.886 3.664 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.948 -6.669 2.277 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.056 -7.602 3.311 1.00 0.00 H new ATOM 1247 N LYS A 89 19.838 -9.493 -1.105 1.00 0.00 N ATOM 1248 CA LYS A 89 20.058 -10.906 -1.389 1.00 0.00 C ATOM 1249 C LYS A 89 18.894 -11.751 -0.881 1.00 0.00 C ATOM 1250 O LYS A 89 18.508 -12.736 -1.511 1.00 0.00 O ATOM 1251 CB LYS A 89 21.364 -11.380 -0.746 1.00 0.00 C ATOM 1252 CG LYS A 89 22.602 -10.716 -1.324 1.00 0.00 C ATOM 1253 CD LYS A 89 22.864 -11.171 -2.750 1.00 0.00 C ATOM 1254 CE LYS A 89 23.513 -10.071 -3.575 1.00 0.00 C ATOM 1255 NZ LYS A 89 24.917 -9.814 -3.151 1.00 0.00 N ATOM 0 H LYS A 89 20.480 -9.096 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 89 20.127 -11.026 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.324 -11.184 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 89 21.449 -12.460 -0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 89 22.478 -9.633 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 89 23.466 -10.950 -0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 89 23.510 -12.049 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 89 21.925 -11.471 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 89 23.497 -10.350 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.931 -9.154 -3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 25.324 -9.058 -3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 24.930 -9.523 -2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 25.479 -10.682 -3.266 1.00 0.00 H new ATOM 1269 N SER A 90 18.337 -11.359 0.260 1.00 0.00 N ATOM 1270 CA SER A 90 17.218 -12.082 0.853 1.00 0.00 C ATOM 1271 C SER A 90 16.416 -11.175 1.782 1.00 0.00 C ATOM 1272 O SER A 90 16.802 -10.034 2.040 1.00 0.00 O ATOM 1273 CB SER A 90 17.723 -13.302 1.625 1.00 0.00 C ATOM 1274 OG SER A 90 18.199 -14.303 0.742 1.00 0.00 O ATOM 0 H SER A 90 18.642 -10.544 0.793 1.00 0.00 H new ATOM 0 HA SER A 90 16.565 -12.416 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.521 -13.002 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.918 -13.707 2.239 1.00 0.00 H new ATOM 0 HG SER A 90 18.230 -13.947 -0.170 1.00 0.00 H new ATOM 1280 N VAL A 91 15.298 -11.690 2.282 1.00 0.00 N ATOM 1281 CA VAL A 91 14.441 -10.929 3.182 1.00 0.00 C ATOM 1282 C VAL A 91 14.775 -11.225 4.640 1.00 0.00 C ATOM 1283 O VAL A 91 14.842 -12.378 5.066 1.00 0.00 O ATOM 1284 CB VAL A 91 12.952 -11.237 2.936 1.00 0.00 C ATOM 1285 CG1 VAL A 91 12.071 -10.267 3.708 1.00 0.00 C ATOM 1286 CG2 VAL A 91 12.638 -11.188 1.448 1.00 0.00 C ATOM 0 H VAL A 91 14.964 -12.632 2.079 1.00 0.00 H new ATOM 0 HA VAL A 91 14.625 -9.874 2.976 1.00 0.00 H new ATOM 0 HB VAL A 91 12.742 -12.244 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.023 -10.500 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.279 -10.357 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.279 -9.248 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.582 -11.408 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.863 -10.194 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.244 -11.927 0.924 1.00 0.00 H new ATOM 1296 N PRO A 92 14.990 -10.159 5.426 1.00 0.00 N ATOM 1297 CA PRO A 92 15.320 -10.279 6.849 1.00 0.00 C ATOM 1298 C PRO A 92 14.140 -10.775 7.678 1.00 0.00 C ATOM 1299 O PRO A 92 14.232 -10.893 8.901 1.00 0.00 O ATOM 1300 CB PRO A 92 15.691 -8.849 7.249 1.00 0.00 C ATOM 1301 CG PRO A 92 14.967 -7.984 6.276 1.00 0.00 C ATOM 1302 CD PRO A 92 14.927 -8.755 4.986 1.00 0.00 C ATOM 0 HA PRO A 92 16.114 -11.005 7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.387 -8.633 8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.768 -8.690 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.960 -7.759 6.628 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.479 -7.031 6.145 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.016 -8.551 4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.766 -8.499 4.338 1.00 0.00 H new ATOM 1310 N THR A 93 13.031 -11.066 7.006 1.00 0.00 N ATOM 1311 CA THR A 93 11.833 -11.548 7.680 1.00 0.00 C ATOM 1312 C THR A 93 11.735 -10.990 9.095 1.00 0.00 C ATOM 1313 O THR A 93 11.294 -11.677 10.015 1.00 0.00 O ATOM 1314 CB THR A 93 11.806 -13.087 7.745 1.00 0.00 C ATOM 1315 OG1 THR A 93 12.151 -13.637 6.469 1.00 0.00 O ATOM 1316 CG2 THR A 93 10.431 -13.587 8.163 1.00 0.00 C ATOM 0 H THR A 93 12.938 -10.976 5.994 1.00 0.00 H new ATOM 0 HA THR A 93 10.981 -11.201 7.096 1.00 0.00 H new ATOM 0 HB THR A 93 12.534 -13.410 8.489 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.133 -14.616 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.436 -14.676 8.202 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.183 -13.190 9.147 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.687 -13.253 7.440 1.00 0.00 H new ATOM 1324 N ASN A 94 12.150 -9.738 9.262 1.00 0.00 N ATOM 1325 CA ASN A 94 12.109 -9.087 10.566 1.00 0.00 C ATOM 1326 C ASN A 94 12.484 -7.613 10.450 1.00 0.00 C ATOM 1327 O ASN A 94 13.652 -7.271 10.269 1.00 0.00 O ATOM 1328 CB ASN A 94 13.056 -9.790 11.541 1.00 0.00 C ATOM 1329 CG ASN A 94 12.887 -9.301 12.966 1.00 0.00 C ATOM 1330 OD1 ASN A 94 11.768 -9.080 13.430 1.00 0.00 O ATOM 1331 ND2 ASN A 94 14.001 -9.129 13.668 1.00 0.00 N ATOM 0 H ASN A 94 12.518 -9.155 8.511 1.00 0.00 H new ATOM 0 HA ASN A 94 11.090 -9.156 10.946 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.878 -10.865 11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.086 -9.627 11.224 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.950 -8.801 14.633 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.907 -9.325 13.243 1.00 0.00 H new ATOM 1338 N GLY A 95 11.484 -6.743 10.557 1.00 0.00 N ATOM 1339 CA GLY A 95 11.729 -5.316 10.462 1.00 0.00 C ATOM 1340 C GLY A 95 12.625 -4.958 9.294 1.00 0.00 C ATOM 1341 O GLY A 95 13.849 -5.044 9.392 1.00 0.00 O ATOM 0 H GLY A 95 10.509 -7.001 10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.778 -4.793 10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.187 -4.967 11.387 1.00 0.00 H new ATOM 1345 N TRP A 96 12.015 -4.556 8.184 1.00 0.00 N ATOM 1346 CA TRP A 96 12.767 -4.186 6.990 1.00 0.00 C ATOM 1347 C TRP A 96 12.674 -2.686 6.733 1.00 0.00 C ATOM 1348 O TRP A 96 11.596 -2.157 6.461 1.00 0.00 O ATOM 1349 CB TRP A 96 12.248 -4.957 5.776 1.00 0.00 C ATOM 1350 CG TRP A 96 12.954 -4.604 4.502 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.175 -5.054 4.089 1.00 0.00 C ATOM 1352 CD2 TRP A 96 12.481 -3.724 3.476 1.00 0.00 C ATOM 1353 NE1 TRP A 96 14.490 -4.507 2.868 1.00 0.00 N ATOM 1354 CE2 TRP A 96 13.466 -3.689 2.470 1.00 0.00 C ATOM 1355 CE3 TRP A 96 11.319 -2.965 3.308 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 13.325 -2.923 1.316 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.180 -2.205 2.162 1.00 0.00 C ATOM 1358 CH2 TRP A 96 12.178 -2.189 1.178 1.00 0.00 C ATOM 0 H TRP A 96 11.003 -4.478 8.086 1.00 0.00 H new ATOM 0 HA TRP A 96 13.813 -4.444 7.155 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.357 -6.026 5.959 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.182 -4.761 5.659 1.00 0.00 H new ATOM 0 HD1 TRP A 96 14.801 -5.739 4.641 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.347 -4.682 2.343 1.00 0.00 H new ATOM 0 HE3 TRP A 96 10.544 -2.972 4.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.093 -2.908 0.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 10.287 -1.613 2.022 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.039 -1.585 0.293 1.00 0.00 H new ATOM 1369 N LYS A 97 13.812 -2.004 6.819 1.00 0.00 N ATOM 1370 CA LYS A 97 13.860 -0.564 6.594 1.00 0.00 C ATOM 1371 C LYS A 97 14.438 -0.247 5.218 1.00 0.00 C ATOM 1372 O LYS A 97 15.483 -0.776 4.837 1.00 0.00 O ATOM 1373 CB LYS A 97 14.697 0.115 7.679 1.00 0.00 C ATOM 1374 CG LYS A 97 14.403 1.597 7.836 1.00 0.00 C ATOM 1375 CD LYS A 97 14.835 2.110 9.200 1.00 0.00 C ATOM 1376 CE LYS A 97 16.306 1.826 9.461 1.00 0.00 C ATOM 1377 NZ LYS A 97 16.673 2.065 10.885 1.00 0.00 N ATOM 0 H LYS A 97 14.713 -2.426 7.043 1.00 0.00 H new ATOM 0 HA LYS A 97 12.841 -0.181 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.518 -0.385 8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.754 -0.014 7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.920 2.156 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.336 1.773 7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.654 3.183 9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.229 1.640 9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.529 0.792 9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.918 2.458 8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.683 1.860 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.484 3.058 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.108 1.444 11.498 1.00 0.00 H new ATOM 1391 N CYS A 98 13.754 0.618 4.478 1.00 0.00 N ATOM 1392 CA CYS A 98 14.200 1.006 3.145 1.00 0.00 C ATOM 1393 C CYS A 98 15.239 2.121 3.223 1.00 0.00 C ATOM 1394 O CYS A 98 15.457 2.710 4.282 1.00 0.00 O ATOM 1395 CB CYS A 98 13.010 1.462 2.299 1.00 0.00 C ATOM 1396 SG CYS A 98 12.633 3.238 2.441 1.00 0.00 S ATOM 0 H CYS A 98 12.888 1.064 4.779 1.00 0.00 H new ATOM 0 HA CYS A 98 14.659 0.136 2.675 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.210 1.227 1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.129 0.890 2.592 1.00 0.00 H new ATOM 0 HG CYS A 98 11.345 3.404 2.510 1.00 0.00 H new ATOM 1401 N LYS A 99 15.878 2.405 2.093 1.00 0.00 N ATOM 1402 CA LYS A 99 16.894 3.450 2.031 1.00 0.00 C ATOM 1403 C LYS A 99 16.284 4.819 2.312 1.00 0.00 C ATOM 1404 O LYS A 99 16.621 5.467 3.302 1.00 0.00 O ATOM 1405 CB LYS A 99 17.568 3.452 0.657 1.00 0.00 C ATOM 1406 CG LYS A 99 18.536 4.605 0.457 1.00 0.00 C ATOM 1407 CD LYS A 99 19.133 4.596 -0.941 1.00 0.00 C ATOM 1408 CE LYS A 99 18.291 5.409 -1.912 1.00 0.00 C ATOM 1409 NZ LYS A 99 19.022 5.690 -3.179 1.00 0.00 N ATOM 0 H LYS A 99 15.711 1.926 1.208 1.00 0.00 H new ATOM 0 HA LYS A 99 17.642 3.242 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.103 2.512 0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.800 3.495 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.019 5.549 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.335 4.542 1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.145 5.000 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.212 3.569 -1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.371 4.869 -2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.002 6.350 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.415 6.246 -3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.887 6.228 -2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 19.275 4.793 -3.640 1.00 0.00 H new ATOM 1423 N ASN A 100 15.385 5.253 1.435 1.00 0.00 N ATOM 1424 CA ASN A 100 14.727 6.546 1.590 1.00 0.00 C ATOM 1425 C ASN A 100 14.414 6.824 3.057 1.00 0.00 C ATOM 1426 O ASN A 100 14.314 7.978 3.474 1.00 0.00 O ATOM 1427 CB ASN A 100 13.440 6.589 0.765 1.00 0.00 C ATOM 1428 CG ASN A 100 12.583 7.796 1.092 1.00 0.00 C ATOM 1429 OD1 ASN A 100 11.407 7.663 1.430 1.00 0.00 O ATOM 1430 ND2 ASN A 100 13.171 8.983 0.993 1.00 0.00 N ATOM 0 H ASN A 100 15.095 4.729 0.609 1.00 0.00 H new ATOM 0 HA ASN A 100 15.407 7.318 1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.692 6.602 -0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.866 5.680 0.945 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.645 9.832 1.201 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.149 9.046 0.709 1.00 0.00 H new ATOM 1437 N CYS A 101 14.260 5.758 3.836 1.00 0.00 N ATOM 1438 CA CYS A 101 13.959 5.886 5.256 1.00 0.00 C ATOM 1439 C CYS A 101 15.234 5.816 6.092 1.00 0.00 C ATOM 1440 O CYS A 101 15.369 6.515 7.096 1.00 0.00 O ATOM 1441 CB CYS A 101 12.988 4.787 5.694 1.00 0.00 C ATOM 1442 SG CYS A 101 11.250 5.112 5.254 1.00 0.00 S ATOM 0 H CYS A 101 14.339 4.796 3.507 1.00 0.00 H new ATOM 0 HA CYS A 101 13.494 6.859 5.416 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.296 3.844 5.242 1.00 0.00 H new ATOM 0 HB3 CYS A 101 13.061 4.662 6.774 1.00 0.00 H new ATOM 0 HG CYS A 101 10.631 3.984 5.069 1.00 0.00 H new ATOM 1447 N ARG A 102 16.165 4.967 5.670 1.00 0.00 N ATOM 1448 CA ARG A 102 17.429 4.805 6.379 1.00 0.00 C ATOM 1449 C ARG A 102 18.065 6.160 6.672 1.00 0.00 C ATOM 1450 O ARG A 102 18.725 6.337 7.697 1.00 0.00 O ATOM 1451 CB ARG A 102 18.391 3.944 5.558 1.00 0.00 C ATOM 1452 CG ARG A 102 19.297 4.749 4.641 1.00 0.00 C ATOM 1453 CD ARG A 102 20.391 3.882 4.038 1.00 0.00 C ATOM 1454 NE ARG A 102 19.871 2.612 3.539 1.00 0.00 N ATOM 1455 CZ ARG A 102 20.501 1.860 2.645 1.00 0.00 C ATOM 1456 NH1 ARG A 102 21.670 2.247 2.154 1.00 0.00 N ATOM 1457 NH2 ARG A 102 19.963 0.716 2.240 1.00 0.00 N ATOM 0 H ARG A 102 16.068 4.381 4.841 1.00 0.00 H new ATOM 0 HA ARG A 102 17.225 4.307 7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 102 19.007 3.354 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.814 3.240 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 102 18.704 5.196 3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 102 19.748 5.569 5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 102 20.873 4.422 3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 102 21.157 3.690 4.790 1.00 0.00 H new ATOM 0 HE ARG A 102 18.974 2.285 3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.088 3.125 2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.152 1.667 1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.064 0.414 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 102 20.448 0.139 1.553 1.00 0.00 H new ATOM 1471 N ILE A 103 17.863 7.111 5.767 1.00 0.00 N ATOM 1472 CA ILE A 103 18.417 8.450 5.930 1.00 0.00 C ATOM 1473 C ILE A 103 18.274 8.932 7.370 1.00 0.00 C ATOM 1474 O ILE A 103 17.183 8.905 7.939 1.00 0.00 O ATOM 1475 CB ILE A 103 17.731 9.461 4.992 1.00 0.00 C ATOM 1476 CG1 ILE A 103 18.243 9.288 3.560 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.972 10.882 5.478 1.00 0.00 C ATOM 1478 CD1 ILE A 103 17.433 8.305 2.744 1.00 0.00 C ATOM 0 H ILE A 103 17.320 6.980 4.913 1.00 0.00 H new ATOM 0 HA ILE A 103 19.474 8.388 5.673 1.00 0.00 H new ATOM 0 HB ILE A 103 16.657 9.272 5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 103 18.235 10.257 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 103 19.280 8.954 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 103 17.481 11.585 4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 103 17.565 10.997 6.483 1.00 0.00 H new ATOM 0 HG23 ILE A 103 19.043 11.084 5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 103 17.852 8.232 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 103 17.462 7.325 3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 103 16.400 8.648 2.682 1.00 0.00 H new