USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 601 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 SER OG : rot 13:sc= 1.1 USER MOD Single : A 9 HIS : no HD1:sc= -0.372 X(o=-0.37,f=0.014) USER MOD Single : A 10 THR OG1 : rot -130:sc= -0.232 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 37:sc= -0.665 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.285! USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -43:sc= 0.758 USER MOD Single : A 36 ASN : amide:sc= -0.0288 K(o=-0.029,f=-0.7) USER MOD Single : A 37 CYS SG : rot 92:sc= 0.62 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 13:sc= 0.753 USER MOD Single : A 47 CYS SG : rot 180:sc= 0.151 USER MOD Single : A 55 ASN : amide:sc= -0.0945 K(o=-0.095,f=-1.7!) USER MOD Single : A 56 GLN : amide:sc= -0.0686 K(o=-0.069,f=-1.1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.145 K(o=0.14,f=-3.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -112:sc= -1.89! (180deg=-3.57!) USER MOD Single : A 68 ASN : amide:sc= -2.06 X(o=-2.1,f=-1.6!) USER MOD Single : A 74 ASN : amide:sc= 0.696 K(o=0.7,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0014 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 9 8.446 14.136 0.210 1.00 0.00 N ATOM 78 CA HIS A 9 7.527 13.013 0.062 1.00 0.00 C ATOM 79 C HIS A 9 6.625 12.884 1.285 1.00 0.00 C ATOM 80 O HIS A 9 6.905 13.453 2.341 1.00 0.00 O ATOM 81 CB HIS A 9 8.306 11.714 -0.151 1.00 0.00 C ATOM 82 CG HIS A 9 8.579 11.408 -1.591 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.612 11.984 -2.301 1.00 0.00 N ATOM 84 CD2 HIS A 9 7.947 10.579 -2.455 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.602 11.524 -3.539 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.602 10.670 -3.659 1.00 0.00 N ATOM 0 HA HIS A 9 6.901 13.200 -0.811 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.253 11.776 0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.746 10.888 0.287 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.088 9.961 -2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.294 11.800 -4.321 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.356 10.161 -4.508 1.00 0.00 H new ATOM 94 N THR A 10 5.538 12.133 1.136 1.00 0.00 N ATOM 95 CA THR A 10 4.593 11.931 2.228 1.00 0.00 C ATOM 96 C THR A 10 4.323 10.448 2.454 1.00 0.00 C ATOM 97 O THR A 10 3.667 9.795 1.641 1.00 0.00 O ATOM 98 CB THR A 10 3.258 12.648 1.954 1.00 0.00 C ATOM 99 OG1 THR A 10 3.494 14.033 1.676 1.00 0.00 O ATOM 100 CG2 THR A 10 2.320 12.518 3.145 1.00 0.00 C ATOM 0 H THR A 10 5.290 11.655 0.270 1.00 0.00 H new ATOM 0 HA THR A 10 5.048 12.355 3.123 1.00 0.00 H new ATOM 0 HB THR A 10 2.789 12.179 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.902 14.583 2.230 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.384 13.032 2.928 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.119 11.464 3.337 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.784 12.965 4.024 1.00 0.00 H new ATOM 108 N LEU A 11 4.832 9.921 3.562 1.00 0.00 N ATOM 109 CA LEU A 11 4.644 8.513 3.896 1.00 0.00 C ATOM 110 C LEU A 11 3.381 8.314 4.727 1.00 0.00 C ATOM 111 O LEU A 11 3.044 9.143 5.573 1.00 0.00 O ATOM 112 CB LEU A 11 5.859 7.984 4.659 1.00 0.00 C ATOM 113 CG LEU A 11 7.172 7.928 3.877 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.354 8.179 4.800 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.317 6.587 3.173 1.00 0.00 C ATOM 0 H LEU A 11 5.378 10.447 4.244 1.00 0.00 H new ATOM 0 HA LEU A 11 4.535 7.955 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.010 8.609 5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.629 6.980 5.016 1.00 0.00 H new ATOM 0 HG LEU A 11 7.156 8.712 3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.280 8.135 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.256 9.164 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.375 7.418 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.257 6.565 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.311 5.786 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.487 6.448 2.480 1.00 0.00 H new ATOM 127 N LEU A 12 2.686 7.208 4.482 1.00 0.00 N ATOM 128 CA LEU A 12 1.460 6.898 5.209 1.00 0.00 C ATOM 129 C LEU A 12 1.662 5.698 6.129 1.00 0.00 C ATOM 130 O LEU A 12 2.519 4.850 5.881 1.00 0.00 O ATOM 131 CB LEU A 12 0.319 6.618 4.230 1.00 0.00 C ATOM 132 CG LEU A 12 -0.378 7.846 3.643 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.696 7.452 2.994 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.605 8.896 4.721 1.00 0.00 C ATOM 0 H LEU A 12 2.951 6.511 3.786 1.00 0.00 H new ATOM 0 HA LEU A 12 1.201 7.762 5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.711 6.020 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.428 6.009 4.739 1.00 0.00 H new ATOM 0 HG LEU A 12 0.267 8.275 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.178 8.339 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.508 6.736 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.348 6.999 3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.102 9.763 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.230 8.478 5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.354 9.200 5.140 1.00 0.00 H new ATOM 146 N TYR A 13 0.865 5.633 7.190 1.00 0.00 N ATOM 147 CA TYR A 13 0.956 4.536 8.147 1.00 0.00 C ATOM 148 C TYR A 13 -0.393 3.842 8.309 1.00 0.00 C ATOM 149 O TYR A 13 -1.346 4.424 8.827 1.00 0.00 O ATOM 150 CB TYR A 13 1.441 5.054 9.502 1.00 0.00 C ATOM 151 CG TYR A 13 2.801 5.714 9.447 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.749 5.319 8.511 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.136 6.733 10.329 1.00 0.00 C ATOM 154 CE1 TYR A 13 4.992 5.918 8.457 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.377 7.340 10.281 1.00 0.00 C ATOM 156 CZ TYR A 13 5.301 6.929 9.344 1.00 0.00 C ATOM 157 OH TYR A 13 6.538 7.530 9.293 1.00 0.00 O ATOM 0 H TYR A 13 0.149 6.326 7.409 1.00 0.00 H new ATOM 0 HA TYR A 13 1.674 3.811 7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.715 5.769 9.889 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.478 4.223 10.207 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.509 4.530 7.814 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.415 7.057 11.065 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.718 5.597 7.725 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.621 8.132 10.974 1.00 0.00 H new ATOM 0 HH TYR A 13 6.594 8.222 9.984 1.00 0.00 H new ATOM 167 N VAL A 14 -0.465 2.592 7.863 1.00 0.00 N ATOM 168 CA VAL A 14 -1.695 1.815 7.960 1.00 0.00 C ATOM 169 C VAL A 14 -1.696 0.940 9.208 1.00 0.00 C ATOM 170 O VAL A 14 -0.648 0.465 9.647 1.00 0.00 O ATOM 171 CB VAL A 14 -1.893 0.922 6.720 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.264 0.264 6.750 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.708 1.731 5.446 1.00 0.00 C ATOM 0 H VAL A 14 0.314 2.096 7.431 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.517 2.529 8.020 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.139 0.135 6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.386 -0.363 5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.353 -0.350 7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.037 1.033 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.851 1.084 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.438 2.540 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.702 2.149 5.424 1.00 0.00 H new ATOM 183 N TYR A 15 -2.878 0.732 9.776 1.00 0.00 N ATOM 184 CA TYR A 15 -3.016 -0.085 10.976 1.00 0.00 C ATOM 185 C TYR A 15 -4.273 -0.948 10.907 1.00 0.00 C ATOM 186 O TYR A 15 -5.090 -0.801 9.999 1.00 0.00 O ATOM 187 CB TYR A 15 -3.063 0.804 12.221 1.00 0.00 C ATOM 188 CG TYR A 15 -1.938 1.812 12.287 1.00 0.00 C ATOM 189 CD1 TYR A 15 -2.054 3.053 11.674 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.760 1.523 12.965 1.00 0.00 C ATOM 191 CE1 TYR A 15 -1.028 3.977 11.731 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.270 2.442 13.029 1.00 0.00 C ATOM 193 CZ TYR A 15 0.131 3.667 12.410 1.00 0.00 C ATOM 194 OH TYR A 15 1.155 4.585 12.472 1.00 0.00 O ATOM 0 H TYR A 15 -3.755 1.118 9.425 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.149 -0.742 11.038 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.016 1.333 12.244 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.027 0.173 13.109 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.962 3.300 11.144 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.648 0.565 13.450 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.134 4.936 11.246 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.179 2.202 13.561 1.00 0.00 H new ATOM 0 HH TYR A 15 0.781 5.488 12.547 1.00 0.00 H new ATOM 204 N ASN A 16 -4.418 -1.849 11.873 1.00 0.00 N ATOM 205 CA ASN A 16 -5.574 -2.736 11.923 1.00 0.00 C ATOM 206 C ASN A 16 -5.654 -3.596 10.665 1.00 0.00 C ATOM 207 O ASN A 16 -6.693 -3.658 10.007 1.00 0.00 O ATOM 208 CB ASN A 16 -6.861 -1.924 12.081 1.00 0.00 C ATOM 209 CG ASN A 16 -7.165 -1.599 13.531 1.00 0.00 C ATOM 210 OD1 ASN A 16 -6.311 -1.089 14.257 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.386 -1.894 13.960 1.00 0.00 N ATOM 0 H ASN A 16 -3.750 -1.984 12.631 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.459 -3.393 12.785 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.774 -0.997 11.514 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.694 -2.482 11.654 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.648 -1.699 14.926 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.062 -2.316 13.323 1.00 0.00 H new ATOM 218 N LEU A 17 -4.551 -4.259 10.338 1.00 0.00 N ATOM 219 CA LEU A 17 -4.495 -5.117 9.159 1.00 0.00 C ATOM 220 C LEU A 17 -4.769 -6.571 9.530 1.00 0.00 C ATOM 221 O LEU A 17 -4.514 -7.009 10.652 1.00 0.00 O ATOM 222 CB LEU A 17 -3.128 -5.000 8.483 1.00 0.00 C ATOM 223 CG LEU A 17 -2.867 -3.704 7.715 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.374 -3.437 7.610 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.498 -3.768 6.332 1.00 0.00 C ATOM 0 H LEU A 17 -3.683 -4.219 10.872 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.267 -4.787 8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.357 -5.108 9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.013 -5.837 7.794 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.324 -2.881 8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.208 -2.511 7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.949 -3.347 8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.893 -4.262 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.302 -2.837 5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.070 -4.602 5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.574 -3.911 6.429 1.00 0.00 H new ATOM 237 N PRO A 18 -5.299 -7.338 8.566 1.00 0.00 N ATOM 238 CA PRO A 18 -5.617 -8.755 8.768 1.00 0.00 C ATOM 239 C PRO A 18 -4.365 -9.616 8.900 1.00 0.00 C ATOM 240 O PRO A 18 -3.849 -10.134 7.911 1.00 0.00 O ATOM 241 CB PRO A 18 -6.391 -9.129 7.501 1.00 0.00 C ATOM 242 CG PRO A 18 -5.920 -8.161 6.470 1.00 0.00 C ATOM 243 CD PRO A 18 -5.629 -6.882 7.206 1.00 0.00 C ATOM 0 HA PRO A 18 -6.175 -8.920 9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.187 -10.157 7.201 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.467 -9.050 7.656 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.028 -8.532 5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.680 -8.006 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.801 -6.337 6.753 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.489 -6.213 7.204 1.00 0.00 H new ATOM 251 N ALA A 19 -3.884 -9.766 10.130 1.00 0.00 N ATOM 252 CA ALA A 19 -2.694 -10.567 10.392 1.00 0.00 C ATOM 253 C ALA A 19 -2.830 -11.964 9.795 1.00 0.00 C ATOM 254 O ALA A 19 -1.874 -12.511 9.248 1.00 0.00 O ATOM 255 CB ALA A 19 -2.436 -10.654 11.889 1.00 0.00 C ATOM 0 H ALA A 19 -4.300 -9.344 10.960 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.845 -10.078 9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.545 -11.255 12.070 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.286 -9.652 12.291 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.292 -11.118 12.379 1.00 0.00 H new ATOM 261 N ASN A 20 -4.025 -12.535 9.905 1.00 0.00 N ATOM 262 CA ASN A 20 -4.285 -13.870 9.377 1.00 0.00 C ATOM 263 C ASN A 20 -4.061 -13.911 7.869 1.00 0.00 C ATOM 264 O ASN A 20 -3.394 -14.809 7.353 1.00 0.00 O ATOM 265 CB ASN A 20 -5.717 -14.299 9.703 1.00 0.00 C ATOM 266 CG ASN A 20 -5.876 -14.734 11.147 1.00 0.00 C ATOM 267 OD1 ASN A 20 -5.109 -15.556 11.647 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.877 -14.182 11.824 1.00 0.00 N ATOM 0 H ASN A 20 -4.828 -12.095 10.354 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.588 -14.563 9.849 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.397 -13.472 9.499 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.006 -15.119 9.046 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.034 -14.436 12.799 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.488 -13.504 11.368 1.00 0.00 H new ATOM 275 N LYS A 21 -4.621 -12.933 7.166 1.00 0.00 N ATOM 276 CA LYS A 21 -4.481 -12.854 5.716 1.00 0.00 C ATOM 277 C LYS A 21 -3.012 -12.764 5.316 1.00 0.00 C ATOM 278 O LYS A 21 -2.350 -11.757 5.570 1.00 0.00 O ATOM 279 CB LYS A 21 -5.244 -11.643 5.174 1.00 0.00 C ATOM 280 CG LYS A 21 -6.734 -11.684 5.464 1.00 0.00 C ATOM 281 CD LYS A 21 -7.433 -12.756 4.643 1.00 0.00 C ATOM 282 CE LYS A 21 -7.369 -12.448 3.155 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.349 -13.257 2.379 1.00 0.00 N ATOM 0 H LYS A 21 -5.177 -12.183 7.577 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.902 -13.763 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.823 -10.735 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.094 -11.582 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.894 -11.875 6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.175 -10.712 5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.969 -13.724 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.474 -12.834 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.565 -11.388 2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.362 -12.645 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.274 -13.018 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.146 -14.268 2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.312 -13.050 2.713 1.00 0.00 H new ATOM 297 N ASP A 22 -2.509 -13.820 4.687 1.00 0.00 N ATOM 298 CA ASP A 22 -1.119 -13.859 4.248 1.00 0.00 C ATOM 299 C ASP A 22 -0.699 -12.518 3.655 1.00 0.00 C ATOM 300 O ASP A 22 -1.416 -11.935 2.843 1.00 0.00 O ATOM 301 CB ASP A 22 -0.917 -14.972 3.219 1.00 0.00 C ATOM 302 CG ASP A 22 0.525 -15.433 3.140 1.00 0.00 C ATOM 303 OD1 ASP A 22 1.335 -14.737 2.492 1.00 0.00 O ATOM 304 OD2 ASP A 22 0.844 -16.490 3.724 1.00 0.00 O ATOM 0 H ASP A 22 -3.043 -14.661 4.469 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.495 -14.063 5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.553 -15.819 3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.237 -14.619 2.239 1.00 0.00 H new ATOM 309 N GLY A 23 0.469 -12.033 4.067 1.00 0.00 N ATOM 310 CA GLY A 23 0.964 -10.764 3.566 1.00 0.00 C ATOM 311 C GLY A 23 0.810 -10.634 2.064 1.00 0.00 C ATOM 312 O GLY A 23 0.196 -9.685 1.575 1.00 0.00 O ATOM 0 H GLY A 23 1.081 -12.496 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.428 -9.950 4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.016 -10.658 3.831 1.00 0.00 H new ATOM 316 N LYS A 24 1.370 -11.588 1.328 1.00 0.00 N ATOM 317 CA LYS A 24 1.294 -11.577 -0.128 1.00 0.00 C ATOM 318 C LYS A 24 -0.066 -11.070 -0.597 1.00 0.00 C ATOM 319 O LYS A 24 -0.151 -10.227 -1.489 1.00 0.00 O ATOM 320 CB LYS A 24 1.547 -12.980 -0.683 1.00 0.00 C ATOM 321 CG LYS A 24 3.013 -13.376 -0.689 1.00 0.00 C ATOM 322 CD LYS A 24 3.184 -14.881 -0.813 1.00 0.00 C ATOM 323 CE LYS A 24 3.269 -15.315 -2.268 1.00 0.00 C ATOM 324 NZ LYS A 24 3.061 -16.781 -2.423 1.00 0.00 N ATOM 0 H LYS A 24 1.882 -12.380 1.717 1.00 0.00 H new ATOM 0 HA LYS A 24 2.063 -10.901 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.986 -13.703 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.160 -13.034 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.521 -12.882 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.488 -13.029 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.087 -15.190 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.346 -15.384 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.521 -14.778 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.244 -15.042 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.127 -17.036 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.790 -17.294 -1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.121 -17.038 -2.061 1.00 0.00 H new ATOM 338 N SER A 25 -1.128 -11.590 0.011 1.00 0.00 N ATOM 339 CA SER A 25 -2.485 -11.192 -0.347 1.00 0.00 C ATOM 340 C SER A 25 -2.772 -9.766 0.114 1.00 0.00 C ATOM 341 O SER A 25 -3.222 -8.928 -0.667 1.00 0.00 O ATOM 342 CB SER A 25 -3.501 -12.154 0.271 1.00 0.00 C ATOM 343 OG SER A 25 -3.618 -13.337 -0.501 1.00 0.00 O ATOM 0 H SER A 25 -1.075 -12.287 0.753 1.00 0.00 H new ATOM 0 HA SER A 25 -2.574 -11.229 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.196 -12.407 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.473 -11.665 0.343 1.00 0.00 H new ATOM 0 HG SER A 25 -4.272 -13.936 -0.084 1.00 0.00 H new ATOM 349 N VAL A 26 -2.508 -9.499 1.389 1.00 0.00 N ATOM 350 CA VAL A 26 -2.737 -8.175 1.956 1.00 0.00 C ATOM 351 C VAL A 26 -2.110 -7.090 1.088 1.00 0.00 C ATOM 352 O VAL A 26 -2.814 -6.280 0.485 1.00 0.00 O ATOM 353 CB VAL A 26 -2.167 -8.070 3.383 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.537 -6.734 4.009 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.661 -9.225 4.241 1.00 0.00 C ATOM 0 H VAL A 26 -2.135 -10.182 2.049 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.816 -8.028 1.992 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.080 -8.129 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.126 -6.678 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.129 -5.924 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.622 -6.642 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.248 -9.134 5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.750 -9.201 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.340 -10.169 3.801 1.00 0.00 H new ATOM 365 N SER A 27 -0.782 -7.081 1.029 1.00 0.00 N ATOM 366 CA SER A 27 -0.059 -6.092 0.237 1.00 0.00 C ATOM 367 C SER A 27 -0.833 -5.740 -1.030 1.00 0.00 C ATOM 368 O SER A 27 -1.345 -4.630 -1.169 1.00 0.00 O ATOM 369 CB SER A 27 1.330 -6.619 -0.129 1.00 0.00 C ATOM 370 OG SER A 27 1.244 -7.655 -1.091 1.00 0.00 O ATOM 0 H SER A 27 -0.185 -7.747 1.520 1.00 0.00 H new ATOM 0 HA SER A 27 0.049 -5.189 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.940 -5.805 -0.520 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.829 -6.990 0.766 1.00 0.00 H new ATOM 0 HG SER A 27 2.144 -7.974 -1.310 1.00 0.00 H new ATOM 376 N ASN A 28 -0.913 -6.695 -1.951 1.00 0.00 N ATOM 377 CA ASN A 28 -1.624 -6.487 -3.207 1.00 0.00 C ATOM 378 C ASN A 28 -2.841 -5.590 -3.002 1.00 0.00 C ATOM 379 O ASN A 28 -2.947 -4.523 -3.607 1.00 0.00 O ATOM 380 CB ASN A 28 -2.059 -7.828 -3.800 1.00 0.00 C ATOM 381 CG ASN A 28 -2.216 -7.771 -5.307 1.00 0.00 C ATOM 382 OD1 ASN A 28 -1.286 -8.081 -6.052 1.00 0.00 O ATOM 383 ND2 ASN A 28 -3.398 -7.374 -5.764 1.00 0.00 N ATOM 0 H ASN A 28 -0.495 -7.620 -1.851 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.944 -5.994 -3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.324 -8.591 -3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.004 -8.131 -3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.563 -7.317 -6.769 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.141 -7.127 -5.110 1.00 0.00 H new ATOM 390 N ARG A 29 -3.755 -6.031 -2.145 1.00 0.00 N ATOM 391 CA ARG A 29 -4.965 -5.269 -1.860 1.00 0.00 C ATOM 392 C ARG A 29 -4.642 -3.791 -1.659 1.00 0.00 C ATOM 393 O ARG A 29 -5.328 -2.917 -2.191 1.00 0.00 O ATOM 394 CB ARG A 29 -5.662 -5.823 -0.616 1.00 0.00 C ATOM 395 CG ARG A 29 -6.872 -5.012 -0.183 1.00 0.00 C ATOM 396 CD ARG A 29 -7.909 -4.925 -1.292 1.00 0.00 C ATOM 397 NE ARG A 29 -8.484 -6.230 -1.608 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.418 -6.417 -2.534 1.00 0.00 C ATOM 399 NH1 ARG A 29 -9.880 -5.388 -3.231 1.00 0.00 N ATOM 400 NH2 ARG A 29 -9.891 -7.635 -2.764 1.00 0.00 N ATOM 0 H ARG A 29 -3.681 -6.912 -1.636 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.634 -5.365 -2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.974 -6.849 -0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.946 -5.859 0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.320 -5.467 0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.556 -4.008 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.704 -4.242 -0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.449 -4.506 -2.187 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.150 -7.042 -1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.518 -4.450 -3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.597 -5.534 -3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.538 -8.429 -2.230 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.608 -7.778 -3.475 1.00 0.00 H new ATOM 414 N LEU A 30 -3.595 -3.519 -0.888 1.00 0.00 N ATOM 415 CA LEU A 30 -3.181 -2.147 -0.617 1.00 0.00 C ATOM 416 C LEU A 30 -2.559 -1.510 -1.855 1.00 0.00 C ATOM 417 O LEU A 30 -2.917 -0.397 -2.240 1.00 0.00 O ATOM 418 CB LEU A 30 -2.185 -2.114 0.543 1.00 0.00 C ATOM 419 CG LEU A 30 -2.759 -2.405 1.930 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.861 -3.905 2.162 1.00 0.00 C ATOM 421 CD2 LEU A 30 -1.906 -1.754 3.009 1.00 0.00 C ATOM 0 H LEU A 30 -3.017 -4.230 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.067 -1.574 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.396 -2.838 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.716 -1.130 0.565 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.762 -1.980 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.271 -4.093 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.515 -4.346 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.870 -4.353 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.330 -1.972 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.891 -2.148 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.885 -0.675 2.855 1.00 0.00 H new ATOM 433 N ARG A 31 -1.625 -2.225 -2.475 1.00 0.00 N ATOM 434 CA ARG A 31 -0.953 -1.730 -3.671 1.00 0.00 C ATOM 435 C ARG A 31 -1.930 -0.980 -4.572 1.00 0.00 C ATOM 436 O ARG A 31 -1.641 0.124 -5.033 1.00 0.00 O ATOM 437 CB ARG A 31 -0.319 -2.890 -4.442 1.00 0.00 C ATOM 438 CG ARG A 31 1.065 -3.270 -3.940 1.00 0.00 C ATOM 439 CD ARG A 31 1.364 -4.739 -4.191 1.00 0.00 C ATOM 440 NE ARG A 31 2.799 -5.007 -4.229 1.00 0.00 N ATOM 441 CZ ARG A 31 3.587 -4.645 -5.236 1.00 0.00 C ATOM 442 NH1 ARG A 31 3.082 -4.004 -6.281 1.00 0.00 N ATOM 443 NH2 ARG A 31 4.884 -4.925 -5.198 1.00 0.00 N ATOM 0 H ARG A 31 -1.317 -3.148 -2.169 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.170 -1.039 -3.358 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.972 -3.760 -4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.253 -2.622 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.815 -2.655 -4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.137 -3.060 -2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.903 -5.342 -3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.913 -5.044 -5.135 1.00 0.00 H new ATOM 0 HE ARG A 31 3.219 -5.499 -3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.086 -3.787 -6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.690 -3.728 -7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.276 -5.418 -4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.489 -4.647 -5.971 1.00 0.00 H new ATOM 457 N ARG A 32 -3.085 -1.588 -4.819 1.00 0.00 N ATOM 458 CA ARG A 32 -4.103 -0.979 -5.667 1.00 0.00 C ATOM 459 C ARG A 32 -4.522 0.383 -5.120 1.00 0.00 C ATOM 460 O ARG A 32 -4.550 1.375 -5.849 1.00 0.00 O ATOM 461 CB ARG A 32 -5.324 -1.895 -5.773 1.00 0.00 C ATOM 462 CG ARG A 32 -5.259 -2.862 -6.944 1.00 0.00 C ATOM 463 CD ARG A 32 -5.910 -2.276 -8.187 1.00 0.00 C ATOM 464 NE ARG A 32 -7.366 -2.247 -8.081 1.00 0.00 N ATOM 465 CZ ARG A 32 -8.164 -1.782 -9.035 1.00 0.00 C ATOM 466 NH1 ARG A 32 -7.649 -1.309 -10.162 1.00 0.00 N ATOM 467 NH2 ARG A 32 -9.480 -1.789 -8.864 1.00 0.00 N ATOM 0 H ARG A 32 -3.340 -2.502 -4.444 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.676 -0.838 -6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.423 -2.463 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.220 -1.282 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.219 -3.107 -7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.757 -3.794 -6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.538 -1.264 -8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.622 -2.864 -9.058 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.794 -2.604 -7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.638 -1.302 -10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.264 -0.952 -10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.880 -2.152 -7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.092 -1.431 -9.598 1.00 0.00 H new ATOM 481 N LEU A 33 -4.847 0.423 -3.832 1.00 0.00 N ATOM 482 CA LEU A 33 -5.265 1.663 -3.187 1.00 0.00 C ATOM 483 C LEU A 33 -4.163 2.714 -3.261 1.00 0.00 C ATOM 484 O LEU A 33 -4.424 3.911 -3.147 1.00 0.00 O ATOM 485 CB LEU A 33 -5.638 1.400 -1.727 1.00 0.00 C ATOM 486 CG LEU A 33 -6.996 0.738 -1.489 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.962 -0.111 -0.228 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.092 1.789 -1.397 1.00 0.00 C ATOM 0 H LEU A 33 -4.829 -0.388 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.139 2.043 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.867 0.770 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.620 2.349 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.215 0.086 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.937 -0.574 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.204 -0.887 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.721 0.519 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.051 1.300 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.878 2.466 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.132 2.355 -2.328 1.00 0.00 H new ATOM 500 N SER A 34 -2.929 2.258 -3.455 1.00 0.00 N ATOM 501 CA SER A 34 -1.786 3.159 -3.543 1.00 0.00 C ATOM 502 C SER A 34 -1.555 3.604 -4.984 1.00 0.00 C ATOM 503 O SER A 34 -1.222 4.761 -5.242 1.00 0.00 O ATOM 504 CB SER A 34 -0.529 2.476 -3.000 1.00 0.00 C ATOM 505 OG SER A 34 0.002 1.562 -3.944 1.00 0.00 O ATOM 0 H SER A 34 -2.696 1.270 -3.554 1.00 0.00 H new ATOM 0 HA SER A 34 -2.002 4.040 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.221 3.228 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.767 1.951 -2.075 1.00 0.00 H new ATOM 0 HG SER A 34 -0.728 1.051 -4.351 1.00 0.00 H new ATOM 511 N ASP A 35 -1.735 2.678 -5.918 1.00 0.00 N ATOM 512 CA ASP A 35 -1.547 2.973 -7.334 1.00 0.00 C ATOM 513 C ASP A 35 -2.512 4.062 -7.794 1.00 0.00 C ATOM 514 O ASP A 35 -2.131 4.974 -8.527 1.00 0.00 O ATOM 515 CB ASP A 35 -1.748 1.710 -8.172 1.00 0.00 C ATOM 516 CG ASP A 35 -1.156 1.836 -9.562 1.00 0.00 C ATOM 517 OD1 ASP A 35 0.085 1.936 -9.672 1.00 0.00 O ATOM 518 OD2 ASP A 35 -1.932 1.835 -10.540 1.00 0.00 O ATOM 0 H ASP A 35 -2.011 1.716 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.527 3.332 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.291 0.862 -7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.814 1.497 -8.252 1.00 0.00 H new ATOM 523 N ASN A 36 -3.764 3.959 -7.360 1.00 0.00 N ATOM 524 CA ASN A 36 -4.784 4.934 -7.728 1.00 0.00 C ATOM 525 C ASN A 36 -4.552 6.261 -7.012 1.00 0.00 C ATOM 526 O ASN A 36 -4.779 7.331 -7.578 1.00 0.00 O ATOM 527 CB ASN A 36 -6.177 4.397 -7.392 1.00 0.00 C ATOM 528 CG ASN A 36 -7.266 5.063 -8.211 1.00 0.00 C ATOM 529 OD1 ASN A 36 -7.106 5.287 -9.411 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.380 5.383 -7.564 1.00 0.00 N ATOM 0 H ASN A 36 -4.097 3.210 -6.753 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.717 5.105 -8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.201 3.321 -7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.377 4.552 -6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.148 5.834 -8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.468 5.178 -6.569 1.00 0.00 H new ATOM 537 N CYS A 37 -4.097 6.183 -5.767 1.00 0.00 N ATOM 538 CA CYS A 37 -3.834 7.378 -4.973 1.00 0.00 C ATOM 539 C CYS A 37 -2.361 7.765 -5.045 1.00 0.00 C ATOM 540 O CYS A 37 -1.802 8.304 -4.091 1.00 0.00 O ATOM 541 CB CYS A 37 -4.242 7.148 -3.517 1.00 0.00 C ATOM 542 SG CYS A 37 -5.908 6.476 -3.315 1.00 0.00 S ATOM 0 H CYS A 37 -3.902 5.305 -5.285 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.427 8.195 -5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.528 6.466 -3.054 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.175 8.093 -2.978 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.852 5.178 -3.286 1.00 0.00 H new ATOM 548 N GLY A 38 -1.736 7.486 -6.185 1.00 0.00 N ATOM 549 CA GLY A 38 -0.332 7.810 -6.361 1.00 0.00 C ATOM 550 C GLY A 38 0.502 7.448 -5.149 1.00 0.00 C ATOM 551 O GLY A 38 0.895 8.319 -4.374 1.00 0.00 O ATOM 0 H GLY A 38 -2.177 7.041 -6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.053 7.283 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.231 8.876 -6.563 1.00 0.00 H new ATOM 555 N GLY A 39 0.773 6.157 -4.983 1.00 0.00 N ATOM 556 CA GLY A 39 1.564 5.704 -3.853 1.00 0.00 C ATOM 557 C GLY A 39 2.164 4.331 -4.079 1.00 0.00 C ATOM 558 O GLY A 39 1.828 3.649 -5.047 1.00 0.00 O ATOM 0 H GLY A 39 0.459 5.417 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.364 6.420 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.938 5.681 -2.961 1.00 0.00 H new ATOM 562 N LYS A 40 3.058 3.923 -3.184 1.00 0.00 N ATOM 563 CA LYS A 40 3.708 2.622 -3.289 1.00 0.00 C ATOM 564 C LYS A 40 4.009 2.051 -1.907 1.00 0.00 C ATOM 565 O LYS A 40 4.788 2.622 -1.144 1.00 0.00 O ATOM 566 CB LYS A 40 5.002 2.740 -4.097 1.00 0.00 C ATOM 567 CG LYS A 40 5.607 1.399 -4.476 1.00 0.00 C ATOM 568 CD LYS A 40 6.859 1.570 -5.320 1.00 0.00 C ATOM 569 CE LYS A 40 7.836 0.425 -5.107 1.00 0.00 C ATOM 570 NZ LYS A 40 9.062 0.580 -5.937 1.00 0.00 N ATOM 0 H LYS A 40 3.349 4.475 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 40 3.027 1.943 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.803 3.309 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.731 3.308 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.850 0.840 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.873 0.811 -5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.584 1.624 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.343 2.514 -5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.114 0.376 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.349 -0.519 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.703 -0.221 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.800 0.601 -6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.541 1.468 -5.686 1.00 0.00 H new ATOM 584 N VAL A 41 3.387 0.919 -1.591 1.00 0.00 N ATOM 585 CA VAL A 41 3.590 0.269 -0.302 1.00 0.00 C ATOM 586 C VAL A 41 5.058 -0.081 -0.088 1.00 0.00 C ATOM 587 O VAL A 41 5.533 -1.122 -0.545 1.00 0.00 O ATOM 588 CB VAL A 41 2.745 -1.013 -0.180 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.790 -1.807 -1.476 1.00 0.00 C ATOM 590 CG2 VAL A 41 3.226 -1.858 0.990 1.00 0.00 C ATOM 0 H VAL A 41 2.738 0.433 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 41 3.273 0.978 0.463 1.00 0.00 H new ATOM 0 HB VAL A 41 1.710 -0.729 0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.187 -2.709 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.394 -1.199 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.821 -2.083 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.618 -2.760 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.269 -2.135 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.136 -1.286 1.913 1.00 0.00 H new ATOM 600 N LEU A 42 5.774 0.794 0.609 1.00 0.00 N ATOM 601 CA LEU A 42 7.190 0.578 0.884 1.00 0.00 C ATOM 602 C LEU A 42 7.415 -0.778 1.546 1.00 0.00 C ATOM 603 O LEU A 42 8.222 -1.582 1.079 1.00 0.00 O ATOM 604 CB LEU A 42 7.732 1.692 1.782 1.00 0.00 C ATOM 605 CG LEU A 42 7.692 3.104 1.196 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.624 4.027 1.965 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.061 3.080 -0.280 1.00 0.00 C ATOM 0 H LEU A 42 5.397 1.660 0.994 1.00 0.00 H new ATOM 0 HA LEU A 42 7.725 0.592 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.164 1.690 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.765 1.455 2.038 1.00 0.00 H new ATOM 0 HG LEU A 42 6.676 3.487 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.583 5.027 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.315 4.069 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.644 3.648 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.027 4.093 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.067 2.677 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.353 2.452 -0.822 1.00 0.00 H new ATOM 619 N SER A 43 6.695 -1.026 2.636 1.00 0.00 N ATOM 620 CA SER A 43 6.818 -2.284 3.363 1.00 0.00 C ATOM 621 C SER A 43 5.583 -2.536 4.222 1.00 0.00 C ATOM 622 O SER A 43 4.763 -1.641 4.428 1.00 0.00 O ATOM 623 CB SER A 43 8.070 -2.270 4.241 1.00 0.00 C ATOM 624 OG SER A 43 9.244 -2.390 3.457 1.00 0.00 O ATOM 0 H SER A 43 6.021 -0.373 3.035 1.00 0.00 H new ATOM 0 HA SER A 43 6.904 -3.090 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.105 -1.344 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.023 -3.088 4.959 1.00 0.00 H new ATOM 0 HG SER A 43 9.022 -2.254 2.512 1.00 0.00 H new ATOM 630 N ILE A 44 5.457 -3.762 4.721 1.00 0.00 N ATOM 631 CA ILE A 44 4.324 -4.133 5.559 1.00 0.00 C ATOM 632 C ILE A 44 4.782 -4.901 6.794 1.00 0.00 C ATOM 633 O ILE A 44 5.114 -6.084 6.716 1.00 0.00 O ATOM 634 CB ILE A 44 3.307 -4.990 4.783 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.733 -4.199 3.605 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.193 -5.457 5.707 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.341 -5.065 2.429 1.00 0.00 C ATOM 0 H ILE A 44 6.126 -4.515 4.559 1.00 0.00 H new ATOM 0 HA ILE A 44 3.843 -3.205 5.869 1.00 0.00 H new ATOM 0 HB ILE A 44 3.819 -5.869 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.859 -3.642 3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.470 -3.466 3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.482 -6.062 5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.617 -6.054 6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.681 -4.591 6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.942 -4.437 1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.217 -5.602 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.581 -5.781 2.742 1.00 0.00 H new ATOM 649 N THR A 45 4.794 -4.220 7.936 1.00 0.00 N ATOM 650 CA THR A 45 5.210 -4.838 9.189 1.00 0.00 C ATOM 651 C THR A 45 4.010 -5.137 10.080 1.00 0.00 C ATOM 652 O THR A 45 3.095 -4.323 10.199 1.00 0.00 O ATOM 653 CB THR A 45 6.195 -3.938 9.959 1.00 0.00 C ATOM 654 OG1 THR A 45 5.486 -2.868 10.594 1.00 0.00 O ATOM 655 CG2 THR A 45 7.252 -3.369 9.025 1.00 0.00 C ATOM 0 H THR A 45 4.521 -3.241 8.019 1.00 0.00 H new ATOM 0 HA THR A 45 5.708 -5.772 8.930 1.00 0.00 H new ATOM 0 HB THR A 45 6.691 -4.545 10.716 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.119 -2.301 11.083 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.936 -2.737 9.591 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.809 -4.185 8.565 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.770 -2.776 8.248 1.00 0.00 H new ATOM 663 N GLY A 46 4.020 -6.311 10.704 1.00 0.00 N ATOM 664 CA GLY A 46 2.926 -6.696 11.577 1.00 0.00 C ATOM 665 C GLY A 46 1.572 -6.303 11.018 1.00 0.00 C ATOM 666 O GLY A 46 1.314 -6.467 9.825 1.00 0.00 O ATOM 0 H GLY A 46 4.766 -7.002 10.621 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.952 -7.774 11.733 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.062 -6.229 12.553 1.00 0.00 H new ATOM 670 N CYS A 47 0.707 -5.784 11.882 1.00 0.00 N ATOM 671 CA CYS A 47 -0.629 -5.368 11.468 1.00 0.00 C ATOM 672 C CYS A 47 -0.618 -3.931 10.959 1.00 0.00 C ATOM 673 O CYS A 47 -1.646 -3.253 10.961 1.00 0.00 O ATOM 674 CB CYS A 47 -1.611 -5.502 12.634 1.00 0.00 C ATOM 675 SG CYS A 47 -1.011 -4.799 14.188 1.00 0.00 S ATOM 0 H CYS A 47 0.906 -5.641 12.872 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.950 -6.019 10.655 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.548 -5.014 12.364 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.834 -6.558 12.787 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.911 -4.959 15.113 1.00 0.00 H new ATOM 681 N SER A 48 0.551 -3.471 10.525 1.00 0.00 N ATOM 682 CA SER A 48 0.698 -2.112 10.018 1.00 0.00 C ATOM 683 C SER A 48 1.383 -2.111 8.655 1.00 0.00 C ATOM 684 O SER A 48 1.879 -3.140 8.197 1.00 0.00 O ATOM 685 CB SER A 48 1.499 -1.261 11.005 1.00 0.00 C ATOM 686 OG SER A 48 2.678 -1.931 11.417 1.00 0.00 O ATOM 0 H SER A 48 1.411 -4.020 10.514 1.00 0.00 H new ATOM 0 HA SER A 48 -0.298 -1.683 9.904 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.761 -0.310 10.541 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.884 -1.032 11.875 1.00 0.00 H new ATOM 0 HG SER A 48 2.841 -2.698 10.829 1.00 0.00 H new ATOM 692 N ALA A 49 1.407 -0.948 8.013 1.00 0.00 N ATOM 693 CA ALA A 49 2.032 -0.812 6.703 1.00 0.00 C ATOM 694 C ALA A 49 2.502 0.619 6.465 1.00 0.00 C ATOM 695 O ALA A 49 1.966 1.563 7.047 1.00 0.00 O ATOM 696 CB ALA A 49 1.066 -1.241 5.609 1.00 0.00 C ATOM 0 H ALA A 49 1.001 -0.087 8.378 1.00 0.00 H new ATOM 0 HA ALA A 49 2.906 -1.463 6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.547 -1.134 4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.783 -2.283 5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.175 -0.614 5.644 1.00 0.00 H new ATOM 702 N ILE A 50 3.505 0.773 5.608 1.00 0.00 N ATOM 703 CA ILE A 50 4.046 2.090 5.294 1.00 0.00 C ATOM 704 C ILE A 50 4.078 2.326 3.788 1.00 0.00 C ATOM 705 O ILE A 50 4.669 1.547 3.039 1.00 0.00 O ATOM 706 CB ILE A 50 5.467 2.265 5.860 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.442 2.206 7.389 1.00 0.00 C ATOM 708 CG2 ILE A 50 6.069 3.579 5.385 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.814 2.074 8.012 1.00 0.00 C ATOM 0 H ILE A 50 3.960 0.002 5.118 1.00 0.00 H new ATOM 0 HA ILE A 50 3.386 2.821 5.760 1.00 0.00 H new ATOM 0 HB ILE A 50 6.090 1.449 5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.964 3.108 7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.827 1.362 7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.074 3.688 5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.118 3.584 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.448 4.408 5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.719 2.038 9.097 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.287 1.158 7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.426 2.931 7.730 1.00 0.00 H new ATOM 721 N LEU A 51 3.441 3.407 3.350 1.00 0.00 N ATOM 722 CA LEU A 51 3.398 3.748 1.933 1.00 0.00 C ATOM 723 C LEU A 51 4.239 4.988 1.645 1.00 0.00 C ATOM 724 O LEU A 51 4.659 5.692 2.564 1.00 0.00 O ATOM 725 CB LEU A 51 1.953 3.983 1.488 1.00 0.00 C ATOM 726 CG LEU A 51 1.023 2.771 1.561 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.341 2.702 2.919 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.010 2.824 0.445 1.00 0.00 C ATOM 0 H LEU A 51 2.947 4.062 3.956 1.00 0.00 H new ATOM 0 HA LEU A 51 3.813 2.912 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.530 4.778 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.965 4.345 0.460 1.00 0.00 H new ATOM 0 HG LEU A 51 1.622 1.869 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.317 1.833 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.095 2.616 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.245 3.607 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.663 1.954 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.604 3.732 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.497 2.824 -0.520 1.00 0.00 H new ATOM 740 N ARG A 52 4.478 5.250 0.364 1.00 0.00 N ATOM 741 CA ARG A 52 5.268 6.405 -0.044 1.00 0.00 C ATOM 742 C ARG A 52 4.533 7.217 -1.107 1.00 0.00 C ATOM 743 O ARG A 52 4.320 6.747 -2.225 1.00 0.00 O ATOM 744 CB ARG A 52 6.629 5.956 -0.580 1.00 0.00 C ATOM 745 CG ARG A 52 7.454 7.088 -1.169 1.00 0.00 C ATOM 746 CD ARG A 52 8.335 7.742 -0.116 1.00 0.00 C ATOM 747 NE ARG A 52 9.621 7.064 0.020 1.00 0.00 N ATOM 748 CZ ARG A 52 10.646 7.259 -0.803 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.534 8.108 -1.816 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.784 6.605 -0.614 1.00 0.00 N ATOM 0 H ARG A 52 4.136 4.678 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 52 5.421 7.037 0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.192 5.489 0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.476 5.194 -1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.076 6.704 -1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.790 7.835 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.502 8.786 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.818 7.735 0.844 1.00 0.00 H new ATOM 0 HE ARG A 52 9.739 6.404 0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.660 8.613 -1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.322 8.256 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.873 5.951 0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.570 6.756 -1.247 1.00 0.00 H new ATOM 764 N PHE A 53 4.148 8.438 -0.751 1.00 0.00 N ATOM 765 CA PHE A 53 3.437 9.315 -1.674 1.00 0.00 C ATOM 766 C PHE A 53 4.310 10.496 -2.085 1.00 0.00 C ATOM 767 O PHE A 53 5.193 10.919 -1.337 1.00 0.00 O ATOM 768 CB PHE A 53 2.142 9.821 -1.034 1.00 0.00 C ATOM 769 CG PHE A 53 1.137 8.735 -0.775 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.251 7.918 0.338 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.078 8.532 -1.646 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.327 6.918 0.579 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.849 7.535 -1.410 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.724 6.726 -0.297 1.00 0.00 C ATOM 0 H PHE A 53 4.316 8.843 0.170 1.00 0.00 H new ATOM 0 HA PHE A 53 3.193 8.740 -2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.381 10.316 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.694 10.572 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.071 8.064 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.024 9.160 -2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.427 6.288 1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.671 7.388 -2.095 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.447 5.945 -0.112 1.00 0.00 H new ATOM 784 N ILE A 54 4.058 11.025 -3.278 1.00 0.00 N ATOM 785 CA ILE A 54 4.820 12.157 -3.788 1.00 0.00 C ATOM 786 C ILE A 54 4.610 13.395 -2.923 1.00 0.00 C ATOM 787 O ILE A 54 5.565 14.085 -2.566 1.00 0.00 O ATOM 788 CB ILE A 54 4.432 12.488 -5.241 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.154 13.753 -5.709 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.925 12.658 -5.361 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.464 13.759 -7.190 1.00 0.00 C ATOM 0 H ILE A 54 3.331 10.687 -3.909 1.00 0.00 H new ATOM 0 HA ILE A 54 5.871 11.869 -3.758 1.00 0.00 H new ATOM 0 HB ILE A 54 4.737 11.660 -5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.540 14.621 -5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.084 13.858 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.666 12.892 -6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.430 11.734 -5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.598 13.471 -4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.976 14.685 -7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.104 12.910 -7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.536 13.685 -7.756 1.00 0.00 H new ATOM 803 N ASN A 55 3.354 13.671 -2.587 1.00 0.00 N ATOM 804 CA ASN A 55 3.018 14.825 -1.762 1.00 0.00 C ATOM 805 C ASN A 55 1.863 14.503 -0.820 1.00 0.00 C ATOM 806 O ASN A 55 1.231 13.453 -0.934 1.00 0.00 O ATOM 807 CB ASN A 55 2.653 16.020 -2.645 1.00 0.00 C ATOM 808 CG ASN A 55 3.876 16.769 -3.140 1.00 0.00 C ATOM 809 OD1 ASN A 55 4.903 16.817 -2.463 1.00 0.00 O ATOM 810 ND2 ASN A 55 3.769 17.359 -4.325 1.00 0.00 N ATOM 0 H ASN A 55 2.552 13.110 -2.874 1.00 0.00 H new ATOM 0 HA ASN A 55 3.892 15.078 -1.162 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.073 15.673 -3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.015 16.702 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.558 17.879 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.898 17.292 -4.851 1.00 0.00 H new ATOM 817 N GLN A 56 1.593 15.414 0.110 1.00 0.00 N ATOM 818 CA GLN A 56 0.514 15.226 1.072 1.00 0.00 C ATOM 819 C GLN A 56 -0.793 14.882 0.364 1.00 0.00 C ATOM 820 O GLN A 56 -1.436 13.881 0.679 1.00 0.00 O ATOM 821 CB GLN A 56 0.332 16.487 1.919 1.00 0.00 C ATOM 822 CG GLN A 56 -0.951 16.493 2.734 1.00 0.00 C ATOM 823 CD GLN A 56 -0.820 17.280 4.023 1.00 0.00 C ATOM 824 OE1 GLN A 56 0.145 18.020 4.216 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.793 17.125 4.913 1.00 0.00 N ATOM 0 H GLN A 56 2.106 16.289 0.217 1.00 0.00 H new ATOM 0 HA GLN A 56 0.783 14.395 1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.182 16.587 2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.341 17.359 1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.756 16.917 2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.234 15.466 2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.574 16.501 4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.759 17.630 5.799 1.00 0.00 H new ATOM 834 N ASP A 57 -1.179 15.718 -0.593 1.00 0.00 N ATOM 835 CA ASP A 57 -2.409 15.502 -1.346 1.00 0.00 C ATOM 836 C ASP A 57 -2.567 14.031 -1.718 1.00 0.00 C ATOM 837 O ASP A 57 -3.432 13.336 -1.185 1.00 0.00 O ATOM 838 CB ASP A 57 -2.416 16.364 -2.610 1.00 0.00 C ATOM 839 CG ASP A 57 -3.771 16.384 -3.290 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.671 17.099 -2.800 1.00 0.00 O ATOM 841 OD2 ASP A 57 -3.932 15.685 -4.312 1.00 0.00 O ATOM 0 H ASP A 57 -0.658 16.551 -0.866 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.249 15.791 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.127 17.383 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.668 15.987 -3.308 1.00 0.00 H new ATOM 846 N SER A 58 -1.728 13.564 -2.636 1.00 0.00 N ATOM 847 CA SER A 58 -1.777 12.177 -3.083 1.00 0.00 C ATOM 848 C SER A 58 -1.958 11.231 -1.899 1.00 0.00 C ATOM 849 O SER A 58 -2.692 10.247 -1.983 1.00 0.00 O ATOM 850 CB SER A 58 -0.501 11.818 -3.846 1.00 0.00 C ATOM 851 OG SER A 58 -0.615 12.157 -5.217 1.00 0.00 O ATOM 0 H SER A 58 -1.005 14.126 -3.085 1.00 0.00 H new ATOM 0 HA SER A 58 -2.633 12.067 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.348 12.342 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.302 10.751 -3.747 1.00 0.00 H new ATOM 0 HG SER A 58 0.214 11.919 -5.683 1.00 0.00 H new ATOM 857 N ALA A 59 -1.283 11.539 -0.796 1.00 0.00 N ATOM 858 CA ALA A 59 -1.370 10.718 0.406 1.00 0.00 C ATOM 859 C ALA A 59 -2.761 10.797 1.025 1.00 0.00 C ATOM 860 O ALA A 59 -3.306 9.792 1.479 1.00 0.00 O ATOM 861 CB ALA A 59 -0.316 11.148 1.415 1.00 0.00 C ATOM 0 H ALA A 59 -0.671 12.350 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.185 9.682 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.392 10.527 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.675 11.034 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.475 12.192 1.685 1.00 0.00 H new ATOM 867 N GLU A 60 -3.330 11.999 1.040 1.00 0.00 N ATOM 868 CA GLU A 60 -4.658 12.208 1.606 1.00 0.00 C ATOM 869 C GLU A 60 -5.677 11.275 0.960 1.00 0.00 C ATOM 870 O GLU A 60 -6.205 10.371 1.608 1.00 0.00 O ATOM 871 CB GLU A 60 -5.092 13.663 1.420 1.00 0.00 C ATOM 872 CG GLU A 60 -4.204 14.661 2.144 1.00 0.00 C ATOM 873 CD GLU A 60 -4.952 15.911 2.564 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.161 16.794 1.707 1.00 0.00 O ATOM 875 OE2 GLU A 60 -5.329 16.006 3.751 1.00 0.00 O ATOM 0 H GLU A 60 -2.893 12.842 0.667 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.611 11.984 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.096 13.899 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.116 13.776 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.774 14.186 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.374 14.940 1.495 1.00 0.00 H new ATOM 882 N ARG A 61 -5.950 11.501 -0.321 1.00 0.00 N ATOM 883 CA ARG A 61 -6.907 10.683 -1.055 1.00 0.00 C ATOM 884 C ARG A 61 -6.753 9.209 -0.692 1.00 0.00 C ATOM 885 O ARG A 61 -7.692 8.425 -0.827 1.00 0.00 O ATOM 886 CB ARG A 61 -6.721 10.870 -2.562 1.00 0.00 C ATOM 887 CG ARG A 61 -6.851 12.314 -3.017 1.00 0.00 C ATOM 888 CD ARG A 61 -6.685 12.441 -4.523 1.00 0.00 C ATOM 889 NE ARG A 61 -7.937 12.193 -5.234 1.00 0.00 N ATOM 890 CZ ARG A 61 -8.962 13.038 -5.234 1.00 0.00 C ATOM 891 NH1 ARG A 61 -8.884 14.180 -4.564 1.00 0.00 N ATOM 892 NH2 ARG A 61 -10.068 12.742 -5.905 1.00 0.00 N ATOM 0 H ARG A 61 -5.521 12.245 -0.872 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.910 11.005 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.738 10.495 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.459 10.264 -3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.826 12.703 -2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.100 12.924 -2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.322 13.440 -4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.928 11.736 -4.865 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.029 11.323 -5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.036 14.411 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.672 14.827 -4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.132 11.865 -6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.854 13.392 -5.904 1.00 0.00 H new ATOM 906 N ALA A 62 -5.562 8.839 -0.232 1.00 0.00 N ATOM 907 CA ALA A 62 -5.285 7.460 0.151 1.00 0.00 C ATOM 908 C ALA A 62 -5.558 7.238 1.635 1.00 0.00 C ATOM 909 O ALA A 62 -6.040 6.178 2.034 1.00 0.00 O ATOM 910 CB ALA A 62 -3.846 7.099 -0.183 1.00 0.00 C ATOM 0 H ALA A 62 -4.773 9.475 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.952 6.810 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.653 6.067 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.682 7.210 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.170 7.761 0.358 1.00 0.00 H new ATOM 916 N GLN A 63 -5.247 8.243 2.446 1.00 0.00 N ATOM 917 CA GLN A 63 -5.458 8.156 3.886 1.00 0.00 C ATOM 918 C GLN A 63 -6.945 8.198 4.222 1.00 0.00 C ATOM 919 O GLN A 63 -7.418 7.460 5.087 1.00 0.00 O ATOM 920 CB GLN A 63 -4.729 9.295 4.600 1.00 0.00 C ATOM 921 CG GLN A 63 -4.785 9.198 6.116 1.00 0.00 C ATOM 922 CD GLN A 63 -5.983 9.918 6.704 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.730 10.588 5.990 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.173 9.783 8.011 1.00 0.00 N ATOM 0 H GLN A 63 -4.848 9.127 2.131 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.053 7.204 4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.686 9.303 4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.164 10.245 4.289 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.818 8.148 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.871 9.618 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.529 9.218 8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.963 10.244 8.462 1.00 0.00 H new ATOM 933 N LYS A 64 -7.678 9.066 3.533 1.00 0.00 N ATOM 934 CA LYS A 64 -9.112 9.204 3.756 1.00 0.00 C ATOM 935 C LYS A 64 -9.871 8.017 3.172 1.00 0.00 C ATOM 936 O LYS A 64 -10.906 7.610 3.700 1.00 0.00 O ATOM 937 CB LYS A 64 -9.622 10.506 3.134 1.00 0.00 C ATOM 938 CG LYS A 64 -9.685 10.470 1.616 1.00 0.00 C ATOM 939 CD LYS A 64 -10.981 9.848 1.126 1.00 0.00 C ATOM 940 CE LYS A 64 -10.769 9.051 -0.152 1.00 0.00 C ATOM 941 NZ LYS A 64 -10.982 9.884 -1.368 1.00 0.00 N ATOM 0 H LYS A 64 -7.302 9.685 2.815 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.286 9.229 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.616 10.721 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.973 11.325 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.595 11.483 1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.839 9.902 1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.388 9.196 1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.718 10.632 0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.758 8.645 -0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.453 8.203 -0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.828 9.304 -2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.955 10.251 -1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.312 10.679 -1.366 1.00 0.00 H new ATOM 955 N ARG A 65 -9.349 7.465 2.082 1.00 0.00 N ATOM 956 CA ARG A 65 -9.978 6.324 1.427 1.00 0.00 C ATOM 957 C ARG A 65 -9.740 5.043 2.222 1.00 0.00 C ATOM 958 O ARG A 65 -10.678 4.449 2.753 1.00 0.00 O ATOM 959 CB ARG A 65 -9.437 6.163 0.006 1.00 0.00 C ATOM 960 CG ARG A 65 -9.458 4.728 -0.496 1.00 0.00 C ATOM 961 CD ARG A 65 -10.847 4.120 -0.382 1.00 0.00 C ATOM 962 NE ARG A 65 -11.081 3.096 -1.397 1.00 0.00 N ATOM 963 CZ ARG A 65 -11.150 3.354 -2.699 1.00 0.00 C ATOM 964 NH1 ARG A 65 -11.004 4.596 -3.141 1.00 0.00 N ATOM 965 NH2 ARG A 65 -11.366 2.369 -3.561 1.00 0.00 N ATOM 0 H ARG A 65 -8.492 7.789 1.634 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.051 6.509 1.381 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.025 6.784 -0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.413 6.536 -0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.131 4.700 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.749 4.130 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.971 3.683 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.596 4.906 -0.480 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.198 2.130 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.838 5.356 -2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.057 4.791 -4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.479 1.413 -3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.419 2.568 -4.560 1.00 0.00 H new ATOM 979 N MET A 66 -8.481 4.624 2.297 1.00 0.00 N ATOM 980 CA MET A 66 -8.121 3.414 3.026 1.00 0.00 C ATOM 981 C MET A 66 -8.801 3.380 4.391 1.00 0.00 C ATOM 982 O MET A 66 -9.528 2.439 4.709 1.00 0.00 O ATOM 983 CB MET A 66 -6.604 3.328 3.197 1.00 0.00 C ATOM 984 CG MET A 66 -5.876 2.867 1.945 1.00 0.00 C ATOM 985 SD MET A 66 -4.153 2.440 2.261 1.00 0.00 S ATOM 986 CE MET A 66 -3.313 3.644 1.235 1.00 0.00 C ATOM 0 H MET A 66 -7.693 5.105 1.862 1.00 0.00 H new ATOM 0 HA MET A 66 -8.463 2.556 2.447 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.224 4.307 3.489 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.377 2.642 4.013 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.390 2.001 1.528 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.919 3.655 1.193 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.820 3.135 0.407 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.038 4.357 0.843 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.569 4.173 1.830 1.00 0.00 H new ATOM 996 N GLU A 67 -8.560 4.411 5.194 1.00 0.00 N ATOM 997 CA GLU A 67 -9.148 4.497 6.525 1.00 0.00 C ATOM 998 C GLU A 67 -10.589 3.992 6.517 1.00 0.00 C ATOM 999 O GLU A 67 -11.075 3.454 7.510 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.105 5.939 7.035 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.053 6.873 6.301 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.427 8.089 7.125 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -9.993 8.172 8.293 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.155 8.959 6.601 1.00 0.00 O ATOM 0 H GLU A 67 -7.961 5.199 4.946 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.563 3.866 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.350 5.947 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.088 6.319 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.588 7.198 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.958 6.328 6.032 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.265 4.172 5.387 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.650 3.736 5.248 1.00 0.00 C ATOM 1013 C ASN A 68 -12.732 2.419 4.482 1.00 0.00 C ATOM 1014 O ASN A 68 -13.689 1.660 4.634 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.475 4.808 4.532 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.488 6.125 5.284 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -12.990 7.138 4.793 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.061 6.116 6.483 1.00 0.00 N ATOM 0 H ASN A 68 -10.877 4.616 4.555 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.057 3.580 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.070 4.967 3.533 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.498 4.453 4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.101 6.972 7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.461 5.253 6.851 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.722 2.156 3.659 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.680 0.931 2.869 1.00 0.00 C ATOM 1027 C GLU A 69 -11.594 -0.296 3.772 1.00 0.00 C ATOM 1028 O GLU A 69 -11.332 -0.182 4.969 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.488 0.956 1.910 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.485 -0.190 0.912 1.00 0.00 C ATOM 1031 CD GLU A 69 -11.836 -0.393 0.253 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.567 0.604 0.081 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -12.161 -1.549 -0.090 1.00 0.00 O ATOM 0 H GLU A 69 -10.922 2.774 3.522 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.602 0.871 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.490 1.900 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.565 0.924 2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.736 0.004 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.191 -1.108 1.420 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.819 -1.469 3.189 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.766 -2.718 3.940 1.00 0.00 C ATOM 1042 C ASP A 70 -10.821 -3.713 3.274 1.00 0.00 C ATOM 1043 O ASP A 70 -11.230 -4.492 2.413 1.00 0.00 O ATOM 1044 CB ASP A 70 -13.165 -3.325 4.059 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.992 -3.125 2.804 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.607 -3.668 1.748 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -15.023 -2.423 2.879 1.00 0.00 O ATOM 0 H ASP A 70 -12.040 -1.581 2.199 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.387 -2.498 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.079 -4.391 4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.682 -2.875 4.907 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.555 -3.681 3.678 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.552 -4.579 3.120 1.00 0.00 C ATOM 1054 C VAL A 71 -9.137 -5.963 2.861 1.00 0.00 C ATOM 1055 O VAL A 71 -9.081 -6.473 1.741 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.337 -4.715 4.058 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -7.788 -5.063 5.469 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.368 -5.761 3.526 1.00 0.00 C ATOM 0 H VAL A 71 -9.200 -3.043 4.390 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.226 -4.143 2.176 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.818 -3.757 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.917 -5.155 6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.440 -4.276 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.331 -6.008 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.516 -5.844 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.873 -6.725 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.020 -5.465 2.537 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.699 -6.567 3.902 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.295 -7.893 3.788 1.00 0.00 C ATOM 1070 C PHE A 72 -11.225 -8.175 4.964 1.00 0.00 C ATOM 1071 O PHE A 72 -10.774 -8.416 6.083 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.203 -8.962 3.719 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.694 -9.210 2.328 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.540 -9.690 1.342 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.368 -8.965 2.007 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.075 -9.920 0.061 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -6.898 -9.192 0.728 1.00 0.00 C ATOM 1078 CZ PHE A 72 -7.751 -9.671 -0.246 1.00 0.00 C ATOM 0 H PHE A 72 -9.754 -6.159 4.835 1.00 0.00 H new ATOM 0 HA PHE A 72 -10.881 -7.922 2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.370 -8.660 4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.593 -9.895 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.576 -9.887 1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.695 -8.593 2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.745 -10.294 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.863 -8.995 0.490 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.384 -9.851 -1.246 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.529 -8.141 4.702 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.503 -8.393 5.747 1.00 0.00 C ATOM 1090 C GLY A 73 -13.155 -7.692 7.045 1.00 0.00 C ATOM 1091 O GLY A 73 -13.602 -8.097 8.117 1.00 0.00 O ATOM 0 H GLY A 73 -12.927 -7.943 3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.486 -8.062 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.572 -9.466 5.924 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.353 -6.636 6.949 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.944 -5.878 8.125 1.00 0.00 C ATOM 1097 C ASN A 74 -11.490 -4.474 7.737 1.00 0.00 C ATOM 1098 O ASN A 74 -10.728 -4.297 6.786 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.816 -6.605 8.860 1.00 0.00 C ATOM 1100 CG ASN A 74 -10.067 -5.696 9.815 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -10.609 -5.267 10.834 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.815 -5.397 9.489 1.00 0.00 N ATOM 0 H ASN A 74 -11.974 -6.286 6.069 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.805 -5.792 8.788 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.231 -7.447 9.414 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.117 -7.016 8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.262 -4.789 10.093 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.406 -5.775 8.634 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.964 -3.478 8.479 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.607 -2.090 8.212 1.00 0.00 C ATOM 1111 C ARG A 75 -10.163 -1.811 8.618 1.00 0.00 C ATOM 1112 O ARG A 75 -9.623 -2.462 9.513 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.550 -1.146 8.961 1.00 0.00 C ATOM 1114 CG ARG A 75 -13.798 -0.781 8.175 1.00 0.00 C ATOM 1115 CD ARG A 75 -14.827 -0.086 9.053 1.00 0.00 C ATOM 1116 NE ARG A 75 -16.192 -0.327 8.593 1.00 0.00 N ATOM 1117 CZ ARG A 75 -16.723 0.263 7.528 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -16.008 1.123 6.816 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -17.973 -0.008 7.173 1.00 0.00 N ATOM 0 H ARG A 75 -12.596 -3.607 9.269 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.704 -1.916 7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.846 -1.612 9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.011 -0.233 9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.528 -0.130 7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.235 -1.682 7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.723 -0.437 10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.631 0.986 9.061 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.769 -0.984 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.047 1.333 7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.419 1.574 5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.526 -0.669 7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.381 0.445 6.355 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.544 -0.841 7.953 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.163 -0.477 8.245 1.00 0.00 C ATOM 1135 C ILE A 76 -8.044 1.008 8.573 1.00 0.00 C ATOM 1136 O ILE A 76 -8.866 1.817 8.141 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.232 -0.807 7.064 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.735 -0.133 5.786 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -7.134 -2.313 6.872 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.824 -0.339 4.596 1.00 0.00 C ATOM 0 H ILE A 76 -9.977 -0.294 7.209 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.858 -1.064 9.112 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.236 -0.423 7.287 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.725 -0.520 5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.846 0.936 5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.472 -2.531 6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.735 -2.770 7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.125 -2.719 6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.243 0.166 3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.839 0.073 4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.733 -1.405 4.388 1.00 0.00 H new ATOM 1152 N ILE A 77 -7.015 1.359 9.336 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.786 2.747 9.718 1.00 0.00 C ATOM 1154 C ILE A 77 -5.545 3.309 9.033 1.00 0.00 C ATOM 1155 O ILE A 77 -4.561 2.598 8.826 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.626 2.892 11.243 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.835 2.291 11.964 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.450 4.355 11.621 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.648 2.171 13.460 1.00 0.00 C ATOM 0 H ILE A 77 -6.326 0.702 9.702 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.662 3.311 9.397 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.734 2.348 11.553 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.711 2.908 11.764 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.040 1.303 11.551 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.338 4.441 12.702 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.561 4.753 11.132 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.325 4.921 11.301 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.544 1.738 13.905 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.792 1.530 13.669 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.473 3.159 13.885 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.598 4.590 8.683 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.478 5.249 8.023 1.00 0.00 C ATOM 1173 C VAL A 78 -4.163 6.588 8.681 1.00 0.00 C ATOM 1174 O VAL A 78 -5.023 7.464 8.772 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.764 5.479 6.527 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.504 5.935 5.807 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.323 4.216 5.892 1.00 0.00 C ATOM 0 H VAL A 78 -6.405 5.192 8.846 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.618 4.587 8.123 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.512 6.266 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.725 6.093 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.151 6.868 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.732 5.172 5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.519 4.396 4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.600 3.407 5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.251 3.938 6.391 1.00 0.00 H new ATOM 1187 N SER A 79 -2.924 6.740 9.139 1.00 0.00 N ATOM 1188 CA SER A 79 -2.496 7.971 9.792 1.00 0.00 C ATOM 1189 C SER A 79 -1.154 8.441 9.238 1.00 0.00 C ATOM 1190 O SER A 79 -0.352 7.639 8.759 1.00 0.00 O ATOM 1191 CB SER A 79 -2.391 7.762 11.303 1.00 0.00 C ATOM 1192 OG SER A 79 -2.699 8.954 12.006 1.00 0.00 O ATOM 0 H SER A 79 -2.199 6.026 9.070 1.00 0.00 H new ATOM 0 HA SER A 79 -3.243 8.739 9.590 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.071 6.968 11.612 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.383 7.435 11.559 1.00 0.00 H new ATOM 0 HG SER A 79 -2.626 8.793 12.970 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.918 9.747 9.307 1.00 0.00 N ATOM 1199 CA PHE A 80 0.326 10.326 8.812 1.00 0.00 C ATOM 1200 C PHE A 80 1.439 10.191 9.848 1.00 0.00 C ATOM 1201 O PHE A 80 2.623 10.186 9.508 1.00 0.00 O ATOM 1202 CB PHE A 80 0.121 11.800 8.457 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.506 12.010 7.109 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.648 11.314 6.745 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.044 12.904 6.205 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.227 11.504 5.505 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.531 13.099 4.963 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.668 12.399 4.613 1.00 0.00 C ATOM 0 H PHE A 80 -1.571 10.424 9.701 1.00 0.00 H new ATOM 0 HA PHE A 80 0.620 9.781 7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.507 12.265 9.217 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.084 12.309 8.484 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.091 10.615 7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.933 13.455 6.474 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.116 10.954 5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.091 13.798 4.267 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.120 12.551 3.644 1.00 0.00 H new ATOM 1218 N THR A 81 1.050 10.081 11.114 1.00 0.00 N ATOM 1219 CA THR A 81 2.013 9.947 12.200 1.00 0.00 C ATOM 1220 C THR A 81 1.967 8.550 12.807 1.00 0.00 C ATOM 1221 O THR A 81 0.978 7.827 12.687 1.00 0.00 O ATOM 1222 CB THR A 81 1.756 10.985 13.310 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.349 11.202 13.460 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.447 12.302 12.990 1.00 0.00 C ATOM 0 H THR A 81 0.075 10.082 11.413 1.00 0.00 H new ATOM 0 HA THR A 81 3.000 10.121 11.770 1.00 0.00 H new ATOM 0 HB THR A 81 2.165 10.597 14.243 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.193 11.861 14.168 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.251 13.019 13.788 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.521 12.138 12.905 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.064 12.694 12.048 1.00 0.00 H new ATOM 1232 N PRO A 82 3.063 8.157 13.474 1.00 0.00 N ATOM 1233 CA PRO A 82 3.172 6.843 14.114 1.00 0.00 C ATOM 1234 C PRO A 82 2.264 6.714 15.332 1.00 0.00 C ATOM 1235 O PRO A 82 1.840 7.714 15.912 1.00 0.00 O ATOM 1236 CB PRO A 82 4.642 6.773 14.533 1.00 0.00 C ATOM 1237 CG PRO A 82 5.062 8.194 14.682 1.00 0.00 C ATOM 1238 CD PRO A 82 4.279 8.967 13.656 1.00 0.00 C ATOM 0 HA PRO A 82 2.866 6.038 13.446 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.761 6.225 15.468 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.243 6.259 13.783 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.854 8.559 15.688 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.134 8.303 14.518 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.044 9.973 14.004 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.834 9.074 12.724 1.00 0.00 H new ATOM 1246 N LYS A 83 1.969 5.477 15.716 1.00 0.00 N ATOM 1247 CA LYS A 83 1.112 5.216 16.867 1.00 0.00 C ATOM 1248 C LYS A 83 1.946 4.935 18.113 1.00 0.00 C ATOM 1249 O LYS A 83 1.748 3.926 18.789 1.00 0.00 O ATOM 1250 CB LYS A 83 0.186 4.032 16.582 1.00 0.00 C ATOM 1251 CG LYS A 83 -0.647 4.201 15.323 1.00 0.00 C ATOM 1252 CD LYS A 83 -1.943 4.943 15.607 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.964 4.042 16.284 1.00 0.00 C ATOM 1254 NZ LYS A 83 -3.944 4.822 17.089 1.00 0.00 N ATOM 0 H LYS A 83 2.311 4.638 15.247 1.00 0.00 H new ATOM 0 HA LYS A 83 0.508 6.105 17.048 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.785 3.126 16.492 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.481 3.890 17.432 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.071 4.746 14.575 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.872 3.222 14.901 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.738 5.805 16.243 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.356 5.326 14.674 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.494 3.462 15.529 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.449 3.330 16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.623 4.172 17.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.441 5.356 17.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.454 5.484 16.469 1.00 0.00 H new