USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 424 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 Single : A 14 CYS SG : rot -70:sc= -3.43 USER MOD Single : A 22 ASN : amide:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 25 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.068) USER MOD Single : A 36 SER OG : rot 47:sc= 0.22 USER MOD Single : A 38 LYS NZ :NH3+ -111:sc= -1.38! (180deg=-3.14!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 133:sc= -0.13 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 63 HIS : no HD1:sc= -2.77! K(o=-2.8!,f=-1.1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00431) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 7 10.141 -4.581 -0.148 1.00 0.00 N ATOM 56 CA GLY A 7 8.942 -5.310 -0.526 1.00 0.00 C ATOM 57 C GLY A 7 9.178 -6.820 -0.470 1.00 0.00 C ATOM 58 O GLY A 7 9.073 -7.429 0.593 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.123 -5.041 0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.640 -5.023 -1.533 1.00 0.00 H new ATOM 62 N GLY A 8 9.491 -7.381 -1.629 1.00 0.00 N ATOM 63 CA GLY A 8 9.743 -8.809 -1.726 1.00 0.00 C ATOM 64 C GLY A 8 8.459 -9.570 -2.063 1.00 0.00 C ATOM 65 O GLY A 8 8.302 -10.068 -3.176 1.00 0.00 O ATOM 0 H GLY A 8 9.576 -6.872 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.494 -8.998 -2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.150 -9.175 -0.784 1.00 0.00 H new ATOM 69 N GLU A 9 7.573 -9.636 -1.080 1.00 0.00 N ATOM 70 CA GLU A 9 6.307 -10.327 -1.257 1.00 0.00 C ATOM 71 C GLU A 9 5.170 -9.524 -0.624 1.00 0.00 C ATOM 72 O GLU A 9 5.226 -9.184 0.557 1.00 0.00 O ATOM 73 CB GLU A 9 6.369 -11.741 -0.677 1.00 0.00 C ATOM 74 CG GLU A 9 6.204 -11.717 0.844 1.00 0.00 C ATOM 75 CD GLU A 9 6.924 -12.900 1.493 1.00 0.00 C ATOM 76 OE1 GLU A 9 6.643 -14.041 1.064 1.00 0.00 O ATOM 77 OE2 GLU A 9 7.740 -12.638 2.404 1.00 0.00 O ATOM 0 H GLU A 9 7.707 -9.222 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 9 6.111 -10.416 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.586 -12.355 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.322 -12.203 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.601 -10.783 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.145 -11.747 1.099 1.00 0.00 H new ATOM 82 N ILE A 10 4.162 -9.242 -1.438 1.00 0.00 N ATOM 83 CA ILE A 10 3.013 -8.485 -0.972 1.00 0.00 C ATOM 84 C ILE A 10 2.096 -9.404 -0.164 1.00 0.00 C ATOM 85 O ILE A 10 1.534 -10.357 -0.703 1.00 0.00 O ATOM 86 CB ILE A 10 2.314 -7.797 -2.146 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.155 -6.636 -2.681 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.903 -7.350 -1.758 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.109 -5.440 -1.729 1.00 0.00 C ATOM 0 H ILE A 10 4.118 -9.525 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 10 3.330 -7.683 -0.305 1.00 0.00 H new ATOM 0 HB ILE A 10 2.212 -8.521 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.187 -6.961 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.787 -6.338 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.428 -6.864 -2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.315 -8.218 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.960 -6.649 -0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.715 -4.629 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.079 -5.102 -1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.501 -5.735 -0.755 1.00 0.00 H new ATOM 100 N ILE A 11 1.972 -9.087 1.116 1.00 0.00 N ATOM 101 CA ILE A 11 1.133 -9.873 2.005 1.00 0.00 C ATOM 102 C ILE A 11 -0.023 -9.005 2.507 1.00 0.00 C ATOM 103 O ILE A 11 -0.016 -7.789 2.324 1.00 0.00 O ATOM 104 CB ILE A 11 1.970 -10.490 3.127 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.360 -9.435 4.164 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.191 -11.218 2.563 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.227 -9.207 5.168 1.00 0.00 C ATOM 0 H ILE A 11 2.439 -8.296 1.559 1.00 0.00 H new ATOM 0 HA ILE A 11 0.693 -10.714 1.469 1.00 0.00 H new ATOM 0 HB ILE A 11 1.360 -11.234 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.259 -9.753 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.600 -8.498 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.769 -11.647 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.863 -12.014 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.812 -10.513 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.530 -8.453 5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.337 -8.865 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.006 -10.140 5.686 1.00 0.00 H new ATOM 118 N GLU A 12 -0.989 -9.665 3.129 1.00 0.00 N ATOM 119 CA GLU A 12 -2.150 -8.969 3.659 1.00 0.00 C ATOM 120 C GLU A 12 -1.764 -8.162 4.901 1.00 0.00 C ATOM 121 O GLU A 12 -1.232 -8.712 5.863 1.00 0.00 O ATOM 122 CB GLU A 12 -3.281 -9.950 3.973 1.00 0.00 C ATOM 123 CG GLU A 12 -3.701 -10.720 2.719 1.00 0.00 C ATOM 124 CD GLU A 12 -4.704 -11.824 3.064 1.00 0.00 C ATOM 125 OE1 GLU A 12 -4.448 -12.530 4.065 1.00 0.00 O ATOM 126 OE2 GLU A 12 -5.701 -11.937 2.321 1.00 0.00 O ATOM 0 H GLU A 12 -0.992 -10.674 3.278 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.513 -8.278 2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.957 -10.650 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.137 -9.408 4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.144 -10.033 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.822 -11.157 2.245 1.00 0.00 H new ATOM 131 N GLY A 13 -2.048 -6.869 4.838 1.00 0.00 N ATOM 132 CA GLY A 13 -1.738 -5.980 5.945 1.00 0.00 C ATOM 133 C GLY A 13 -0.738 -4.903 5.520 1.00 0.00 C ATOM 134 O GLY A 13 -0.674 -3.836 6.129 1.00 0.00 O ATOM 0 H GLY A 13 -2.489 -6.416 4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.653 -5.510 6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.327 -6.556 6.774 1.00 0.00 H new ATOM 138 N CYS A 14 0.016 -5.219 4.478 1.00 0.00 N ATOM 139 CA CYS A 14 1.009 -4.291 3.964 1.00 0.00 C ATOM 140 C CYS A 14 0.305 -2.977 3.617 1.00 0.00 C ATOM 141 O CYS A 14 -0.791 -2.985 3.060 1.00 0.00 O ATOM 142 CB CYS A 14 1.757 -4.871 2.762 1.00 0.00 C ATOM 143 SG CYS A 14 3.099 -5.976 3.335 1.00 0.00 S ATOM 0 H CYS A 14 -0.041 -6.105 3.975 1.00 0.00 H new ATOM 0 HA CYS A 14 1.766 -4.107 4.726 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.066 -5.424 2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.172 -4.064 2.157 1.00 0.00 H new ATOM 0 HG CYS A 14 4.033 -5.268 3.898 1.00 0.00 H new ATOM 148 N ARG A 15 0.965 -1.881 3.961 1.00 0.00 N ATOM 149 CA ARG A 15 0.416 -0.562 3.693 1.00 0.00 C ATOM 150 C ARG A 15 1.286 0.179 2.676 1.00 0.00 C ATOM 151 O ARG A 15 2.475 0.392 2.910 1.00 0.00 O ATOM 152 CB ARG A 15 0.324 0.267 4.976 1.00 0.00 C ATOM 153 CG ARG A 15 -1.016 0.043 5.679 1.00 0.00 C ATOM 154 CD ARG A 15 -1.268 1.120 6.735 1.00 0.00 C ATOM 155 NE ARG A 15 -1.157 0.536 8.091 1.00 0.00 N ATOM 156 CZ ARG A 15 0.000 0.378 8.749 1.00 0.00 C ATOM 157 NH1 ARG A 15 1.151 0.762 8.181 1.00 0.00 N ATOM 158 NH2 ARG A 15 0.005 -0.161 9.975 1.00 0.00 N ATOM 0 H ARG A 15 1.874 -1.879 4.423 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.587 -0.696 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.140 -0.003 5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.442 1.324 4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.822 0.053 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.024 -0.941 6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.548 1.930 6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.259 1.552 6.596 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.015 0.235 8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.147 1.174 7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.032 0.642 8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.872 -0.451 10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.886 -0.281 10.476 1.00 0.00 H new ATOM 169 N LEU A 16 0.660 0.549 1.569 1.00 0.00 N ATOM 170 CA LEU A 16 1.363 1.262 0.515 1.00 0.00 C ATOM 171 C LEU A 16 0.388 2.204 -0.195 1.00 0.00 C ATOM 172 O LEU A 16 -0.820 1.975 -0.186 1.00 0.00 O ATOM 173 CB LEU A 16 2.061 0.277 -0.424 1.00 0.00 C ATOM 174 CG LEU A 16 1.478 -1.137 -0.467 1.00 0.00 C ATOM 175 CD1 LEU A 16 -0.051 -1.101 -0.415 1.00 0.00 C ATOM 176 CD2 LEU A 16 1.991 -1.905 -1.687 1.00 0.00 C ATOM 0 H LEU A 16 -0.326 0.369 1.378 1.00 0.00 H new ATOM 0 HA LEU A 16 2.155 1.881 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.038 0.689 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.109 0.208 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 16 1.819 -1.674 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.440 -2.119 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.372 -0.618 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.431 -0.540 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.561 -2.907 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.700 -1.379 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.078 -1.977 -1.641 1.00 0.00 H new ATOM 187 N PRO A 17 0.966 3.271 -0.810 1.00 0.00 N ATOM 188 CA PRO A 17 0.163 4.248 -1.524 1.00 0.00 C ATOM 189 C PRO A 17 -0.316 3.690 -2.866 1.00 0.00 C ATOM 190 O PRO A 17 0.472 3.549 -3.799 1.00 0.00 O ATOM 191 CB PRO A 17 1.062 5.465 -1.673 1.00 0.00 C ATOM 192 CG PRO A 17 2.481 4.963 -1.454 1.00 0.00 C ATOM 193 CD PRO A 17 2.394 3.574 -0.842 1.00 0.00 C ATOM 0 HA PRO A 17 -0.752 4.509 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.954 5.912 -2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.803 6.234 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.025 4.931 -2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.027 5.637 -0.794 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.940 2.844 -1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.825 3.555 0.159 1.00 0.00 H new ATOM 198 N VAL A 18 -1.605 3.388 -2.919 1.00 0.00 N ATOM 199 CA VAL A 18 -2.198 2.848 -4.131 1.00 0.00 C ATOM 200 C VAL A 18 -2.694 4.000 -5.007 1.00 0.00 C ATOM 201 O VAL A 18 -3.667 4.670 -4.664 1.00 0.00 O ATOM 202 CB VAL A 18 -3.300 1.850 -3.774 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.059 1.401 -5.025 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.729 0.648 -3.018 1.00 0.00 C ATOM 0 H VAL A 18 -2.255 3.507 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.455 2.298 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.007 2.354 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.837 0.692 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.514 2.267 -5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.367 0.924 -5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.534 -0.046 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.990 0.144 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.255 0.989 -2.097 1.00 0.00 H new ATOM 214 N LEU A 19 -2.004 4.194 -6.121 1.00 0.00 N ATOM 215 CA LEU A 19 -2.363 5.253 -7.049 1.00 0.00 C ATOM 216 C LEU A 19 -3.883 5.284 -7.216 1.00 0.00 C ATOM 217 O LEU A 19 -4.525 4.238 -7.293 1.00 0.00 O ATOM 218 CB LEU A 19 -1.603 5.091 -8.366 1.00 0.00 C ATOM 219 CG LEU A 19 -2.098 5.945 -9.535 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.472 7.341 -9.498 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.851 5.242 -10.871 1.00 0.00 C ATOM 0 H LEU A 19 -1.198 3.636 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.065 6.224 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.554 5.327 -8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.649 4.043 -8.662 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.176 6.072 -9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.841 7.927 -10.340 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.742 7.836 -8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.387 7.255 -9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.212 5.870 -11.685 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.783 5.064 -10.996 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.382 4.290 -10.885 1.00 0.00 H new ATOM 232 N ARG A 20 -4.417 6.497 -7.267 1.00 0.00 N ATOM 233 CA ARG A 20 -5.849 6.678 -7.424 1.00 0.00 C ATOM 234 C ARG A 20 -6.144 8.033 -8.071 1.00 0.00 C ATOM 235 O ARG A 20 -5.876 9.079 -7.482 1.00 0.00 O ATOM 236 CB ARG A 20 -6.566 6.599 -6.074 1.00 0.00 C ATOM 237 CG ARG A 20 -8.082 6.534 -6.261 1.00 0.00 C ATOM 238 CD ARG A 20 -8.808 7.212 -5.098 1.00 0.00 C ATOM 239 NE ARG A 20 -9.807 8.174 -5.615 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.939 7.821 -6.238 1.00 0.00 C ATOM 241 NH1 ARG A 20 -11.224 6.525 -6.425 1.00 0.00 N ATOM 242 NH2 ARG A 20 -11.786 8.763 -6.674 1.00 0.00 N ATOM 0 H ARG A 20 -3.882 7.363 -7.202 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.216 5.877 -8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.225 5.719 -5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.308 7.469 -5.470 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.357 7.018 -7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.399 5.494 -6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.300 6.462 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.089 7.728 -4.462 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.622 9.169 -5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.579 5.808 -6.093 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.086 6.256 -6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.569 9.749 -6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.648 8.494 -7.148 1.00 0.00 H new ATOM 253 N ARG A 21 -6.694 7.970 -9.276 1.00 0.00 N ATOM 254 CA ARG A 21 -7.028 9.179 -10.009 1.00 0.00 C ATOM 255 C ARG A 21 -8.476 9.587 -9.727 1.00 0.00 C ATOM 256 O ARG A 21 -9.408 8.992 -10.265 1.00 0.00 O ATOM 257 CB ARG A 21 -6.847 8.977 -11.515 1.00 0.00 C ATOM 258 CG ARG A 21 -5.393 9.217 -11.930 1.00 0.00 C ATOM 259 CD ARG A 21 -5.273 9.369 -13.447 1.00 0.00 C ATOM 260 NE ARG A 21 -3.983 8.813 -13.911 1.00 0.00 N ATOM 261 CZ ARG A 21 -2.836 9.505 -13.944 1.00 0.00 C ATOM 262 NH1 ARG A 21 -2.813 10.783 -13.542 1.00 0.00 N ATOM 263 NH2 ARG A 21 -1.712 8.919 -14.380 1.00 0.00 N ATOM 0 H ARG A 21 -6.916 7.101 -9.762 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.353 9.967 -9.675 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.144 7.965 -11.788 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.501 9.659 -12.058 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.015 10.114 -11.440 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.773 8.385 -11.594 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.098 8.854 -13.939 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.345 10.421 -13.722 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.966 7.843 -14.225 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.669 11.229 -13.211 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.940 11.310 -13.567 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.730 7.946 -14.687 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.839 9.446 -14.405 1.00 0.00 H new ATOM 274 N ASN A 22 -8.618 10.601 -8.885 1.00 0.00 N ATOM 275 CA ASN A 22 -9.936 11.095 -8.525 1.00 0.00 C ATOM 276 C ASN A 22 -10.607 11.692 -9.764 1.00 0.00 C ATOM 277 O ASN A 22 -10.016 11.720 -10.842 1.00 0.00 O ATOM 278 CB ASN A 22 -9.841 12.192 -7.464 1.00 0.00 C ATOM 279 CG ASN A 22 -9.036 11.716 -6.253 1.00 0.00 C ATOM 280 OD1 ASN A 22 -9.539 11.054 -5.361 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.760 12.091 -6.271 1.00 0.00 N ATOM 0 H ASN A 22 -7.842 11.093 -8.442 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.514 10.260 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.371 13.077 -7.892 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.842 12.484 -7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.139 11.824 -5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.402 12.645 -7.049 1.00 0.00 H new ATOM 287 N GLN A 23 -11.833 12.154 -9.567 1.00 0.00 N ATOM 288 CA GLN A 23 -12.592 12.748 -10.655 1.00 0.00 C ATOM 289 C GLN A 23 -11.755 13.815 -11.364 1.00 0.00 C ATOM 290 O GLN A 23 -11.695 13.846 -12.593 1.00 0.00 O ATOM 291 CB GLN A 23 -13.912 13.334 -10.148 1.00 0.00 C ATOM 292 CG GLN A 23 -14.871 13.606 -11.307 1.00 0.00 C ATOM 293 CD GLN A 23 -15.999 14.547 -10.875 1.00 0.00 C ATOM 294 OE1 GLN A 23 -16.264 14.742 -9.701 1.00 0.00 O ATOM 295 NE2 GLN A 23 -16.645 15.118 -11.888 1.00 0.00 N ATOM 0 H GLN A 23 -12.320 12.129 -8.671 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.833 11.965 -11.374 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.374 12.643 -9.443 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.719 14.260 -9.606 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.324 14.046 -12.141 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.293 12.666 -11.663 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.372 14.911 -12.849 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.413 15.763 -11.704 1.00 0.00 H new ATOM 302 N ASP A 24 -11.131 14.663 -10.561 1.00 0.00 N ATOM 303 CA ASP A 24 -10.301 15.728 -11.097 1.00 0.00 C ATOM 304 C ASP A 24 -9.251 15.129 -12.034 1.00 0.00 C ATOM 305 O ASP A 24 -8.734 15.816 -12.913 1.00 0.00 O ATOM 306 CB ASP A 24 -9.566 16.470 -9.977 1.00 0.00 C ATOM 307 CG ASP A 24 -10.398 17.526 -9.247 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.555 17.732 -9.673 1.00 0.00 O ATOM 309 OD2 ASP A 24 -9.858 18.104 -8.280 1.00 0.00 O ATOM 0 H ASP A 24 -11.183 14.634 -9.543 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.949 16.425 -11.628 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.213 15.740 -9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.684 16.952 -10.399 1.00 0.00 H new ATOM 313 N ASN A 25 -8.968 13.853 -11.816 1.00 0.00 N ATOM 314 CA ASN A 25 -7.990 13.153 -12.630 1.00 0.00 C ATOM 315 C ASN A 25 -6.582 13.491 -12.133 1.00 0.00 C ATOM 316 O ASN A 25 -5.668 13.685 -12.933 1.00 0.00 O ATOM 317 CB ASN A 25 -8.088 13.579 -14.096 1.00 0.00 C ATOM 318 CG ASN A 25 -7.552 12.484 -15.022 1.00 0.00 C ATOM 319 OD1 ASN A 25 -8.250 11.558 -15.399 1.00 0.00 O ATOM 320 ND2 ASN A 25 -6.277 12.643 -15.366 1.00 0.00 N ATOM 0 H ASN A 25 -9.400 13.286 -11.086 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.188 12.084 -12.550 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.126 13.796 -14.347 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.524 14.499 -14.250 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.827 11.966 -15.982 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.750 13.442 -15.014 1.00 0.00 H new ATOM 326 N GLU A 26 -6.453 13.553 -10.816 1.00 0.00 N ATOM 327 CA GLU A 26 -5.174 13.865 -10.203 1.00 0.00 C ATOM 328 C GLU A 26 -4.559 12.607 -9.587 1.00 0.00 C ATOM 329 O GLU A 26 -5.037 12.114 -8.567 1.00 0.00 O ATOM 330 CB GLU A 26 -5.321 14.971 -9.156 1.00 0.00 C ATOM 331 CG GLU A 26 -5.820 16.268 -9.797 1.00 0.00 C ATOM 332 CD GLU A 26 -5.612 17.458 -8.858 1.00 0.00 C ATOM 333 OE1 GLU A 26 -6.167 17.402 -7.739 1.00 0.00 O ATOM 334 OE2 GLU A 26 -4.903 18.397 -9.282 1.00 0.00 O ATOM 0 H GLU A 26 -7.214 13.392 -10.156 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.503 14.232 -10.979 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.018 14.653 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.361 15.147 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.291 16.442 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.878 16.174 -10.042 1.00 0.00 H new ATOM 339 N ASP A 27 -3.508 12.122 -10.233 1.00 0.00 N ATOM 340 CA ASP A 27 -2.824 10.931 -9.762 1.00 0.00 C ATOM 341 C ASP A 27 -2.545 11.067 -8.264 1.00 0.00 C ATOM 342 O ASP A 27 -1.544 11.661 -7.868 1.00 0.00 O ATOM 343 CB ASP A 27 -1.484 10.745 -10.478 1.00 0.00 C ATOM 344 CG ASP A 27 -0.430 11.809 -10.163 1.00 0.00 C ATOM 345 OD1 ASP A 27 -0.600 12.941 -10.663 1.00 0.00 O ATOM 346 OD2 ASP A 27 0.521 11.465 -9.429 1.00 0.00 O ATOM 0 H ASP A 27 -3.114 12.533 -11.079 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.464 10.072 -9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.081 9.767 -10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.662 10.738 -11.553 1.00 0.00 H new ATOM 350 N GLU A 28 -3.448 10.506 -7.473 1.00 0.00 N ATOM 351 CA GLU A 28 -3.311 10.557 -6.027 1.00 0.00 C ATOM 352 C GLU A 28 -2.560 9.324 -5.521 1.00 0.00 C ATOM 353 O GLU A 28 -2.430 8.334 -6.239 1.00 0.00 O ATOM 354 CB GLU A 28 -4.678 10.682 -5.352 1.00 0.00 C ATOM 355 CG GLU A 28 -4.530 11.086 -3.883 1.00 0.00 C ATOM 356 CD GLU A 28 -5.673 12.003 -3.447 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.816 11.727 -3.874 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.380 12.959 -2.697 1.00 0.00 O ATOM 0 H GLU A 28 -4.277 10.014 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.731 11.443 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.281 11.423 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.209 9.733 -5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.516 10.194 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.576 11.593 -3.736 1.00 0.00 H new ATOM 363 N TRP A 29 -2.086 9.426 -4.288 1.00 0.00 N ATOM 364 CA TRP A 29 -1.351 8.331 -3.677 1.00 0.00 C ATOM 365 C TRP A 29 -1.833 8.185 -2.232 1.00 0.00 C ATOM 366 O TRP A 29 -1.067 8.400 -1.294 1.00 0.00 O ATOM 367 CB TRP A 29 0.159 8.557 -3.784 1.00 0.00 C ATOM 368 CG TRP A 29 0.691 8.540 -5.217 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.893 9.582 -6.035 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.084 7.377 -5.975 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.385 9.177 -7.259 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.505 7.793 -7.221 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.084 6.016 -5.619 1.00 0.00 C ATOM 374 CZ2 TRP A 29 1.957 6.913 -8.212 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.538 5.149 -6.621 1.00 0.00 C ATOM 376 CH2 TRP A 29 1.965 5.554 -7.879 1.00 0.00 C ATOM 0 H TRP A 29 -2.196 10.249 -3.696 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.543 7.396 -4.204 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.406 9.515 -3.327 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.673 7.788 -3.208 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.695 10.610 -5.770 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.618 9.782 -8.047 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.760 5.667 -4.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.282 7.264 -9.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.557 4.092 -6.400 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.302 4.822 -8.598 1.00 0.00 H new ATOM 386 N PRO A 30 -3.134 7.812 -2.096 1.00 0.00 N ATOM 387 CA PRO A 30 -3.728 7.635 -0.781 1.00 0.00 C ATOM 388 C PRO A 30 -3.250 6.334 -0.134 1.00 0.00 C ATOM 389 O PRO A 30 -3.115 5.315 -0.809 1.00 0.00 O ATOM 390 CB PRO A 30 -5.229 7.664 -1.020 1.00 0.00 C ATOM 391 CG PRO A 30 -5.420 7.389 -2.504 1.00 0.00 C ATOM 392 CD PRO A 30 -4.070 7.550 -3.184 1.00 0.00 C ATOM 0 HA PRO A 30 -3.435 8.415 -0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.735 6.912 -0.415 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.650 8.631 -0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.808 6.382 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.147 8.080 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.795 6.651 -3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.083 8.371 -3.901 1.00 0.00 H new ATOM 397 N LEU A 31 -3.008 6.411 1.166 1.00 0.00 N ATOM 398 CA LEU A 31 -2.548 5.253 1.912 1.00 0.00 C ATOM 399 C LEU A 31 -3.560 4.116 1.754 1.00 0.00 C ATOM 400 O LEU A 31 -4.753 4.304 1.989 1.00 0.00 O ATOM 401 CB LEU A 31 -2.268 5.628 3.368 1.00 0.00 C ATOM 402 CG LEU A 31 -1.169 4.826 4.069 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.632 3.396 4.353 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.131 4.859 3.264 1.00 0.00 C ATOM 0 H LEU A 31 -3.122 7.258 1.722 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.599 4.895 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.999 6.684 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.192 5.514 3.936 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.963 5.295 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.833 2.847 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.512 3.419 4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.881 2.901 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.896 4.282 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.041 4.428 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.466 5.891 3.156 1.00 0.00 H new ATOM 415 N ALA A 32 -3.047 2.960 1.356 1.00 0.00 N ATOM 416 CA ALA A 32 -3.891 1.794 1.165 1.00 0.00 C ATOM 417 C ALA A 32 -3.259 0.590 1.867 1.00 0.00 C ATOM 418 O ALA A 32 -2.036 0.466 1.914 1.00 0.00 O ATOM 419 CB ALA A 32 -4.097 1.552 -0.332 1.00 0.00 C ATOM 0 H ALA A 32 -2.058 2.807 1.161 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.873 1.956 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.731 0.677 -0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.576 2.423 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.132 1.383 -0.810 1.00 0.00 H new ATOM 425 N GLU A 33 -4.120 -0.265 2.397 1.00 0.00 N ATOM 426 CA GLU A 33 -3.661 -1.454 3.096 1.00 0.00 C ATOM 427 C GLU A 33 -4.081 -2.713 2.334 1.00 0.00 C ATOM 428 O GLU A 33 -5.224 -2.824 1.894 1.00 0.00 O ATOM 429 CB GLU A 33 -4.186 -1.482 4.533 1.00 0.00 C ATOM 430 CG GLU A 33 -3.468 -2.552 5.358 1.00 0.00 C ATOM 431 CD GLU A 33 -4.226 -2.847 6.653 1.00 0.00 C ATOM 432 OE1 GLU A 33 -4.104 -2.021 7.583 1.00 0.00 O ATOM 433 OE2 GLU A 33 -4.910 -3.893 6.683 1.00 0.00 O ATOM 0 H GLU A 33 -5.134 -0.159 2.357 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.572 -1.427 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.044 -0.505 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.258 -1.679 4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.374 -3.466 4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.457 -2.218 5.592 1.00 0.00 H new ATOM 438 N ILE A 34 -3.133 -3.628 2.200 1.00 0.00 N ATOM 439 CA ILE A 34 -3.389 -4.875 1.498 1.00 0.00 C ATOM 440 C ILE A 34 -4.378 -5.717 2.308 1.00 0.00 C ATOM 441 O ILE A 34 -4.245 -5.835 3.525 1.00 0.00 O ATOM 442 CB ILE A 34 -2.075 -5.596 1.190 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.123 -4.689 0.408 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.334 -6.918 0.465 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.465 -4.691 -1.083 1.00 0.00 C ATOM 0 H ILE A 34 -2.186 -3.531 2.566 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.853 -4.680 0.531 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.586 -5.837 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.182 -3.672 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.096 -5.025 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.384 -7.411 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.948 -7.563 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.854 -6.723 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.773 -4.038 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.381 -5.705 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.484 -4.331 -1.223 1.00 0.00 H new ATOM 456 N LEU A 35 -5.346 -6.277 1.600 1.00 0.00 N ATOM 457 CA LEU A 35 -6.357 -7.105 2.237 1.00 0.00 C ATOM 458 C LEU A 35 -6.236 -8.540 1.719 1.00 0.00 C ATOM 459 O LEU A 35 -6.210 -9.486 2.504 1.00 0.00 O ATOM 460 CB LEU A 35 -7.747 -6.495 2.045 1.00 0.00 C ATOM 461 CG LEU A 35 -7.881 -5.010 2.383 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.322 -4.533 2.195 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.359 -4.719 3.792 1.00 0.00 C ATOM 0 H LEU A 35 -5.453 -6.174 0.591 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.197 -7.142 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.045 -6.639 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.454 -7.052 2.659 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.262 -4.444 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.390 -3.474 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.623 -4.684 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.982 -5.101 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.466 -3.656 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.932 -5.296 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.307 -4.998 3.855 1.00 0.00 H new ATOM 474 N SER A 36 -6.168 -8.655 0.401 1.00 0.00 N ATOM 475 CA SER A 36 -6.052 -9.958 -0.231 1.00 0.00 C ATOM 476 C SER A 36 -5.318 -9.828 -1.568 1.00 0.00 C ATOM 477 O SER A 36 -5.386 -8.786 -2.218 1.00 0.00 O ATOM 478 CB SER A 36 -7.427 -10.594 -0.440 1.00 0.00 C ATOM 479 OG SER A 36 -7.397 -12.006 -0.252 1.00 0.00 O ATOM 0 H SER A 36 -6.191 -7.867 -0.247 1.00 0.00 H new ATOM 0 HA SER A 36 -5.478 -10.608 0.430 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.141 -10.151 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.781 -10.370 -1.446 1.00 0.00 H new ATOM 0 HG SER A 36 -6.907 -12.216 0.570 1.00 0.00 H new ATOM 484 N VAL A 37 -4.633 -10.900 -1.937 1.00 0.00 N ATOM 485 CA VAL A 37 -3.888 -10.919 -3.184 1.00 0.00 C ATOM 486 C VAL A 37 -4.506 -11.952 -4.127 1.00 0.00 C ATOM 487 O VAL A 37 -5.333 -12.762 -3.710 1.00 0.00 O ATOM 488 CB VAL A 37 -2.406 -11.176 -2.903 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.618 -11.317 -4.207 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.816 -10.073 -2.023 1.00 0.00 C ATOM 0 H VAL A 37 -4.578 -11.762 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.948 -9.950 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.326 -12.117 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.568 -11.499 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.015 -12.153 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.710 -10.400 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.762 -10.280 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.914 -9.112 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.351 -10.040 -1.074 1.00 0.00 H new ATOM 500 N LYS A 38 -4.080 -11.893 -5.381 1.00 0.00 N ATOM 501 CA LYS A 38 -4.582 -12.814 -6.386 1.00 0.00 C ATOM 502 C LYS A 38 -3.592 -12.878 -7.551 1.00 0.00 C ATOM 503 O LYS A 38 -2.533 -12.253 -7.506 1.00 0.00 O ATOM 504 CB LYS A 38 -6.001 -12.427 -6.807 1.00 0.00 C ATOM 505 CG LYS A 38 -6.767 -13.643 -7.332 1.00 0.00 C ATOM 506 CD LYS A 38 -7.152 -13.454 -8.801 1.00 0.00 C ATOM 507 CE LYS A 38 -8.670 -13.323 -8.958 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.077 -11.902 -8.887 1.00 0.00 N ATOM 0 H LYS A 38 -3.393 -11.221 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.659 -13.821 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.532 -11.997 -5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.959 -11.658 -7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.154 -14.538 -7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.665 -13.798 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.664 -12.564 -9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.794 -14.301 -9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.981 -13.749 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.173 -13.891 -8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.608 -11.737 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.231 -11.298 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.678 -11.672 -9.704 1.00 0.00 H new ATOM 518 N ASP A 39 -3.972 -13.639 -8.567 1.00 0.00 N ATOM 519 CA ASP A 39 -3.131 -13.793 -9.742 1.00 0.00 C ATOM 520 C ASP A 39 -3.966 -14.362 -10.890 1.00 0.00 C ATOM 521 O ASP A 39 -4.582 -15.417 -10.752 1.00 0.00 O ATOM 522 CB ASP A 39 -1.978 -14.761 -9.471 1.00 0.00 C ATOM 523 CG ASP A 39 -1.388 -15.428 -10.715 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.509 -14.794 -11.336 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.829 -16.559 -11.017 1.00 0.00 O ATOM 0 H ASP A 39 -4.851 -14.156 -8.601 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.727 -12.814 -9.998 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.184 -14.221 -8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.328 -15.538 -8.792 1.00 0.00 H new ATOM 529 N ILE A 40 -3.959 -13.638 -12.000 1.00 0.00 N ATOM 530 CA ILE A 40 -4.709 -14.057 -13.172 1.00 0.00 C ATOM 531 C ILE A 40 -3.779 -14.075 -14.387 1.00 0.00 C ATOM 532 O ILE A 40 -3.851 -13.193 -15.242 1.00 0.00 O ATOM 533 CB ILE A 40 -5.947 -13.178 -13.359 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.820 -13.185 -12.102 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.733 -13.594 -14.604 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.423 -11.804 -11.845 1.00 0.00 C ATOM 0 H ILE A 40 -3.446 -12.764 -12.112 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.084 -15.072 -13.041 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.615 -12.152 -13.516 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.618 -13.919 -12.213 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.223 -13.491 -11.242 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.608 -12.953 -14.713 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.099 -13.495 -15.485 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.053 -14.631 -14.502 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.039 -11.837 -10.946 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.622 -11.077 -11.710 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.039 -11.512 -12.696 1.00 0.00 H new ATOM 547 N SER A 41 -2.928 -15.090 -14.425 1.00 0.00 N ATOM 548 CA SER A 41 -1.985 -15.235 -15.521 1.00 0.00 C ATOM 549 C SER A 41 -0.883 -14.179 -15.407 1.00 0.00 C ATOM 550 O SER A 41 -0.548 -13.519 -16.389 1.00 0.00 O ATOM 551 CB SER A 41 -2.691 -15.121 -16.874 1.00 0.00 C ATOM 552 OG SER A 41 -2.287 -16.148 -17.775 1.00 0.00 O ATOM 0 H SER A 41 -2.872 -15.820 -13.715 1.00 0.00 H new ATOM 0 HA SER A 41 -1.537 -16.227 -15.457 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.770 -15.173 -16.726 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.476 -14.147 -17.314 1.00 0.00 H new ATOM 0 HG SER A 41 -2.761 -16.042 -18.626 1.00 0.00 H new ATOM 557 N GLY A 42 -0.353 -14.051 -14.200 1.00 0.00 N ATOM 558 CA GLY A 42 0.704 -13.086 -13.945 1.00 0.00 C ATOM 559 C GLY A 42 0.131 -11.779 -13.394 1.00 0.00 C ATOM 560 O GLY A 42 0.818 -11.047 -12.683 1.00 0.00 O ATOM 0 H GLY A 42 -0.635 -14.599 -13.387 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.418 -13.502 -13.234 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.251 -12.888 -14.867 1.00 0.00 H new ATOM 564 N ARG A 43 -1.123 -11.526 -13.743 1.00 0.00 N ATOM 565 CA ARG A 43 -1.795 -10.320 -13.293 1.00 0.00 C ATOM 566 C ARG A 43 -2.212 -10.460 -11.828 1.00 0.00 C ATOM 567 O ARG A 43 -3.342 -10.847 -11.534 1.00 0.00 O ATOM 568 CB ARG A 43 -3.034 -10.029 -14.143 1.00 0.00 C ATOM 569 CG ARG A 43 -3.345 -8.532 -14.166 1.00 0.00 C ATOM 570 CD ARG A 43 -4.362 -8.166 -13.083 1.00 0.00 C ATOM 571 NE ARG A 43 -5.489 -7.414 -13.680 1.00 0.00 N ATOM 572 CZ ARG A 43 -6.472 -7.977 -14.395 1.00 0.00 C ATOM 573 NH1 ARG A 43 -6.474 -9.299 -14.608 1.00 0.00 N ATOM 574 NH2 ARG A 43 -7.454 -7.215 -14.898 1.00 0.00 N ATOM 0 H ARG A 43 -1.690 -12.136 -14.332 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.094 -9.492 -13.398 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.873 -10.386 -15.160 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.889 -10.575 -13.745 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.427 -7.964 -14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.735 -8.253 -15.145 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.733 -9.070 -12.600 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.882 -7.566 -12.310 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.519 -6.404 -13.538 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.727 -9.878 -14.226 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.223 -9.727 -15.153 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.452 -6.208 -14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.203 -7.642 -15.443 1.00 0.00 H new ATOM 585 N LYS A 44 -1.277 -10.138 -10.946 1.00 0.00 N ATOM 586 CA LYS A 44 -1.533 -10.223 -9.518 1.00 0.00 C ATOM 587 C LYS A 44 -2.486 -9.098 -9.108 1.00 0.00 C ATOM 588 O LYS A 44 -2.243 -7.932 -9.411 1.00 0.00 O ATOM 589 CB LYS A 44 -0.218 -10.230 -8.737 1.00 0.00 C ATOM 590 CG LYS A 44 0.145 -11.647 -8.287 1.00 0.00 C ATOM 591 CD LYS A 44 0.359 -11.702 -6.773 1.00 0.00 C ATOM 592 CE LYS A 44 1.717 -11.112 -6.389 1.00 0.00 C ATOM 593 NZ LYS A 44 2.759 -12.162 -6.391 1.00 0.00 N ATOM 0 H LYS A 44 -0.341 -9.818 -11.193 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.026 -11.164 -9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.581 -9.826 -9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.304 -9.579 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.649 -12.338 -8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.050 -11.974 -8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.436 -11.152 -6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.298 -12.735 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.988 -10.322 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.655 -10.655 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.674 -11.743 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.507 -12.902 -5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.829 -12.579 -7.341 1.00 0.00 H new ATOM 603 N LEU A 45 -3.551 -9.489 -8.423 1.00 0.00 N ATOM 604 CA LEU A 45 -4.542 -8.529 -7.967 1.00 0.00 C ATOM 605 C LEU A 45 -4.458 -8.400 -6.445 1.00 0.00 C ATOM 606 O LEU A 45 -4.295 -9.396 -5.742 1.00 0.00 O ATOM 607 CB LEU A 45 -5.933 -8.911 -8.476 1.00 0.00 C ATOM 608 CG LEU A 45 -6.497 -8.041 -9.602 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.372 -7.417 -10.429 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.476 -8.835 -10.470 1.00 0.00 C ATOM 0 H LEU A 45 -3.749 -10.458 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.336 -7.543 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.900 -9.944 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.627 -8.879 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.058 -7.221 -9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.800 -6.804 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.749 -6.795 -9.786 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.763 -8.207 -10.870 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.862 -8.194 -11.262 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.961 -9.688 -10.912 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.303 -9.189 -9.855 1.00 0.00 H new ATOM 621 N PHE A 46 -4.575 -7.164 -5.979 1.00 0.00 N ATOM 622 CA PHE A 46 -4.515 -6.893 -4.554 1.00 0.00 C ATOM 623 C PHE A 46 -5.655 -5.967 -4.124 1.00 0.00 C ATOM 624 O PHE A 46 -5.807 -4.872 -4.662 1.00 0.00 O ATOM 625 CB PHE A 46 -3.179 -6.195 -4.288 1.00 0.00 C ATOM 626 CG PHE A 46 -1.977 -6.888 -4.930 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.645 -6.616 -6.221 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.237 -7.774 -4.212 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.529 -7.259 -6.818 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.121 -8.418 -4.808 1.00 0.00 C ATOM 631 CZ PHE A 46 0.210 -8.146 -6.099 1.00 0.00 C ATOM 0 H PHE A 46 -4.711 -6.340 -6.564 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.607 -7.823 -3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.236 -5.171 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.019 -6.136 -3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.231 -5.911 -6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.499 -7.988 -3.186 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.267 -7.044 -7.843 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.465 -9.123 -4.237 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.060 -8.634 -6.553 1.00 0.00 H new ATOM 640 N TYR A 47 -6.427 -6.442 -3.157 1.00 0.00 N ATOM 641 CA TYR A 47 -7.548 -5.671 -2.648 1.00 0.00 C ATOM 642 C TYR A 47 -7.091 -4.681 -1.575 1.00 0.00 C ATOM 643 O TYR A 47 -6.968 -5.042 -0.405 1.00 0.00 O ATOM 644 CB TYR A 47 -8.505 -6.685 -2.017 1.00 0.00 C ATOM 645 CG TYR A 47 -9.914 -6.141 -1.770 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.615 -5.550 -2.801 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.483 -6.241 -0.517 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.941 -5.038 -2.569 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.808 -5.729 -0.285 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.472 -5.153 -1.323 1.00 0.00 C ATOM 651 OH TYR A 47 -13.724 -4.669 -1.103 1.00 0.00 O ATOM 0 H TYR A 47 -6.298 -7.351 -2.713 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.015 -5.098 -3.449 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.572 -7.558 -2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.086 -7.024 -1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.170 -5.471 -3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.934 -6.704 0.290 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.501 -4.573 -3.367 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.265 -5.801 0.691 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.974 -4.821 -0.168 1.00 0.00 H new ATOM 660 N VAL A 48 -6.852 -3.453 -2.011 1.00 0.00 N ATOM 661 CA VAL A 48 -6.412 -2.409 -1.101 1.00 0.00 C ATOM 662 C VAL A 48 -7.615 -1.563 -0.682 1.00 0.00 C ATOM 663 O VAL A 48 -8.603 -1.478 -1.410 1.00 0.00 O ATOM 664 CB VAL A 48 -5.298 -1.585 -1.750 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.099 -2.467 -2.107 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.816 -0.839 -2.982 1.00 0.00 C ATOM 0 H VAL A 48 -6.955 -3.158 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.990 -2.845 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.963 -0.844 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.322 -1.856 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.707 -2.932 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.413 -3.242 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.005 -0.261 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.190 -1.557 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.622 -0.167 -2.688 1.00 0.00 H new ATOM 676 N HIS A 49 -7.493 -0.957 0.491 1.00 0.00 N ATOM 677 CA HIS A 49 -8.559 -0.121 1.016 1.00 0.00 C ATOM 678 C HIS A 49 -7.987 1.236 1.434 1.00 0.00 C ATOM 679 O HIS A 49 -7.160 1.312 2.340 1.00 0.00 O ATOM 680 CB HIS A 49 -9.296 -0.830 2.154 1.00 0.00 C ATOM 681 CG HIS A 49 -10.096 0.096 3.038 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.202 0.793 2.585 1.00 0.00 N ATOM 683 CD2 HIS A 49 -9.940 0.430 4.351 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.682 1.513 3.590 1.00 0.00 C ATOM 685 NE2 HIS A 49 -10.898 1.287 4.682 1.00 0.00 N ATOM 0 H HIS A 49 -6.672 -1.029 1.092 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.301 0.060 0.238 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.965 -1.578 1.729 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.569 -1.363 2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.168 0.060 5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.543 2.164 3.550 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -11.026 1.707 5.602 1.00 0.00 H new ATOM 692 N TYR A 50 -8.452 2.272 0.752 1.00 0.00 N ATOM 693 CA TYR A 50 -7.998 3.622 1.042 1.00 0.00 C ATOM 694 C TYR A 50 -8.336 4.018 2.480 1.00 0.00 C ATOM 695 O TYR A 50 -9.507 4.148 2.833 1.00 0.00 O ATOM 696 CB TYR A 50 -8.759 4.537 0.081 1.00 0.00 C ATOM 697 CG TYR A 50 -8.502 4.240 -1.398 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.207 4.113 -1.861 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.563 4.098 -2.268 1.00 0.00 C ATOM 700 CE1 TYR A 50 -6.965 3.832 -3.253 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.321 3.817 -3.659 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.034 3.698 -4.083 1.00 0.00 C ATOM 703 OH TYR A 50 -7.806 3.433 -5.398 1.00 0.00 O ATOM 0 H TYR A 50 -9.138 2.204 0.000 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.917 3.697 0.924 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.827 4.446 0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.484 5.571 0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.376 4.224 -1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.575 4.198 -1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.958 3.730 -3.629 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.143 3.703 -4.350 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.390 2.702 -5.690 1.00 0.00 H new ATOM 712 N ILE A 51 -7.290 4.198 3.272 1.00 0.00 N ATOM 713 CA ILE A 51 -7.461 4.577 4.664 1.00 0.00 C ATOM 714 C ILE A 51 -7.395 6.101 4.786 1.00 0.00 C ATOM 715 O ILE A 51 -6.316 6.687 4.709 1.00 0.00 O ATOM 716 CB ILE A 51 -6.449 3.845 5.547 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.057 3.854 4.910 1.00 0.00 C ATOM 718 CG2 ILE A 51 -6.923 2.426 5.866 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.785 2.543 4.169 1.00 0.00 C ATOM 0 H ILE A 51 -6.320 4.088 2.976 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.443 4.271 5.024 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.374 4.380 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.976 4.691 4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.301 4.004 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.185 1.929 6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.877 2.471 6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.046 1.866 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.790 2.575 3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.843 1.710 4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.528 2.408 3.383 1.00 0.00 H new ATOM 844 N GLU A 59 -11.098 -1.734 -2.938 1.00 0.00 N ATOM 845 CA GLU A 59 -11.199 -2.198 -4.311 1.00 0.00 C ATOM 846 C GLU A 59 -9.934 -2.961 -4.707 1.00 0.00 C ATOM 847 O GLU A 59 -8.942 -2.947 -3.980 1.00 0.00 O ATOM 848 CB GLU A 59 -11.458 -1.032 -5.267 1.00 0.00 C ATOM 849 CG GLU A 59 -10.326 -0.006 -5.200 1.00 0.00 C ATOM 850 CD GLU A 59 -10.358 0.926 -6.413 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.483 1.291 -6.819 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.257 1.252 -6.907 1.00 0.00 O ATOM 0 HA GLU A 59 -12.048 -2.878 -4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.554 -1.407 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.404 -0.553 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.415 0.579 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.366 -0.521 -5.158 1.00 0.00 H new ATOM 857 N TRP A 60 -10.009 -3.611 -5.860 1.00 0.00 N ATOM 858 CA TRP A 60 -8.882 -4.378 -6.361 1.00 0.00 C ATOM 859 C TRP A 60 -7.977 -3.429 -7.151 1.00 0.00 C ATOM 860 O TRP A 60 -8.460 -2.513 -7.814 1.00 0.00 O ATOM 861 CB TRP A 60 -9.358 -5.575 -7.188 1.00 0.00 C ATOM 862 CG TRP A 60 -10.110 -6.631 -6.377 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.419 -6.679 -6.098 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.540 -7.798 -5.747 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.734 -7.787 -5.338 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.555 -8.489 -5.117 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.211 -8.255 -5.710 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.348 -9.677 -4.405 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.020 -9.443 -4.995 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.030 -10.150 -4.356 1.00 0.00 C ATOM 0 H TRP A 60 -10.833 -3.622 -6.461 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.308 -4.802 -5.537 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -10.006 -5.216 -7.988 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.495 -6.042 -7.662 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.138 -5.943 -6.427 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.662 -8.044 -5.000 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.401 -7.731 -6.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.159 -10.200 -3.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.016 -9.838 -4.936 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.800 -11.061 -3.823 1.00 0.00 H new ATOM 880 N VAL A 61 -6.680 -3.681 -7.052 1.00 0.00 N ATOM 881 CA VAL A 61 -5.704 -2.860 -7.748 1.00 0.00 C ATOM 882 C VAL A 61 -4.616 -3.760 -8.338 1.00 0.00 C ATOM 883 O VAL A 61 -4.715 -4.984 -8.273 1.00 0.00 O ATOM 884 CB VAL A 61 -5.148 -1.793 -6.803 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.266 -0.886 -6.282 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.378 -2.433 -5.645 1.00 0.00 C ATOM 0 H VAL A 61 -6.283 -4.442 -6.501 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.173 -2.329 -8.576 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.450 -1.175 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.844 -0.136 -5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.753 -0.390 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.998 -1.485 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.993 -1.653 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.045 -3.086 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.547 -3.017 -6.040 1.00 0.00 H new ATOM 896 N THR A 62 -3.603 -3.119 -8.902 1.00 0.00 N ATOM 897 CA THR A 62 -2.499 -3.844 -9.504 1.00 0.00 C ATOM 898 C THR A 62 -1.183 -3.485 -8.811 1.00 0.00 C ATOM 899 O THR A 62 -1.157 -2.635 -7.922 1.00 0.00 O ATOM 900 CB THR A 62 -2.497 -3.546 -11.005 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.431 -2.124 -11.075 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.831 -3.890 -11.672 1.00 0.00 C ATOM 0 H THR A 62 -3.524 -2.103 -8.954 1.00 0.00 H new ATOM 0 HA THR A 62 -2.616 -4.920 -9.373 1.00 0.00 H new ATOM 0 HB THR A 62 -1.696 -4.107 -11.486 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.424 -1.843 -12.014 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.776 -3.660 -12.736 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.040 -4.952 -11.541 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.628 -3.304 -11.215 1.00 0.00 H new ATOM 910 N HIS A 63 -0.122 -4.149 -9.246 1.00 0.00 N ATOM 911 CA HIS A 63 1.194 -3.909 -8.678 1.00 0.00 C ATOM 912 C HIS A 63 1.725 -2.560 -9.166 1.00 0.00 C ATOM 913 O HIS A 63 2.678 -2.023 -8.601 1.00 0.00 O ATOM 914 CB HIS A 63 2.142 -5.069 -8.994 1.00 0.00 C ATOM 915 CG HIS A 63 3.559 -4.850 -8.521 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.635 -5.562 -9.022 1.00 0.00 N ATOM 917 CD2 HIS A 63 4.064 -3.993 -7.588 1.00 0.00 C ATOM 918 CE1 HIS A 63 5.734 -5.145 -8.411 1.00 0.00 C ATOM 919 NE2 HIS A 63 5.378 -4.173 -7.522 1.00 0.00 N ATOM 0 H HIS A 63 -0.147 -4.852 -9.984 1.00 0.00 H new ATOM 0 HA HIS A 63 1.122 -3.861 -7.591 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.753 -5.978 -8.535 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.151 -5.234 -10.071 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.493 -3.288 -7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.735 -5.510 -8.586 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.016 -3.668 -6.908 1.00 0.00 H new ATOM 926 N GLU A 64 1.087 -2.050 -10.209 1.00 0.00 N ATOM 927 CA GLU A 64 1.484 -0.774 -10.779 1.00 0.00 C ATOM 928 C GLU A 64 1.233 0.355 -9.777 1.00 0.00 C ATOM 929 O GLU A 64 2.065 1.248 -9.621 1.00 0.00 O ATOM 930 CB GLU A 64 0.750 -0.511 -12.096 1.00 0.00 C ATOM 931 CG GLU A 64 1.479 0.549 -12.926 1.00 0.00 C ATOM 932 CD GLU A 64 0.997 0.534 -14.378 1.00 0.00 C ATOM 933 OE1 GLU A 64 -0.237 0.462 -14.564 1.00 0.00 O ATOM 934 OE2 GLU A 64 1.872 0.598 -15.268 1.00 0.00 O ATOM 0 H GLU A 64 0.297 -2.498 -10.674 1.00 0.00 H new ATOM 0 HA GLU A 64 2.551 -0.810 -10.996 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.675 -1.437 -12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.268 -0.180 -11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.310 1.535 -12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.553 0.366 -12.894 1.00 0.00 H new ATOM 939 N ARG A 65 0.083 0.280 -9.124 1.00 0.00 N ATOM 940 CA ARG A 65 -0.287 1.285 -8.142 1.00 0.00 C ATOM 941 C ARG A 65 0.379 0.984 -6.798 1.00 0.00 C ATOM 942 O ARG A 65 0.518 1.871 -5.956 1.00 0.00 O ATOM 943 CB ARG A 65 -1.804 1.335 -7.950 1.00 0.00 C ATOM 944 CG ARG A 65 -2.509 1.706 -9.257 1.00 0.00 C ATOM 945 CD ARG A 65 -3.524 0.633 -9.657 1.00 0.00 C ATOM 946 NE ARG A 65 -4.826 1.261 -9.974 1.00 0.00 N ATOM 947 CZ ARG A 65 -5.819 0.644 -10.630 1.00 0.00 C ATOM 948 NH1 ARG A 65 -5.663 -0.622 -11.042 1.00 0.00 N ATOM 949 NH2 ARG A 65 -6.966 1.292 -10.874 1.00 0.00 N ATOM 0 H ARG A 65 -0.605 -0.461 -9.256 1.00 0.00 H new ATOM 0 HA ARG A 65 0.054 2.252 -8.513 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.162 0.366 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.053 2.064 -7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.014 2.665 -9.142 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.771 1.828 -10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.158 0.079 -10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.645 -0.085 -8.846 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.977 2.224 -9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.789 -1.115 -10.856 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.418 -1.093 -11.541 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.084 2.255 -10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.721 0.822 -11.373 1.00 0.00 H new ATOM 960 N LEU A 66 0.773 -0.271 -6.637 1.00 0.00 N ATOM 961 CA LEU A 66 1.422 -0.700 -5.409 1.00 0.00 C ATOM 962 C LEU A 66 2.844 -0.136 -5.365 1.00 0.00 C ATOM 963 O LEU A 66 3.742 -0.652 -6.027 1.00 0.00 O ATOM 964 CB LEU A 66 1.360 -2.223 -5.274 1.00 0.00 C ATOM 965 CG LEU A 66 -0.030 -2.821 -5.052 1.00 0.00 C ATOM 966 CD1 LEU A 66 -0.017 -4.336 -5.265 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.576 -2.441 -3.674 1.00 0.00 C ATOM 0 H LEU A 66 0.655 -1.004 -7.336 1.00 0.00 H new ATOM 0 HA LEU A 66 0.895 -0.304 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.784 -2.665 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.999 -2.520 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.706 -2.398 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.018 -4.735 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.299 -4.557 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.677 -4.796 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.565 -2.879 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.094 -2.817 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.646 -1.356 -3.597 1.00 0.00 H new ATOM 978 N ASP A 67 3.003 0.916 -4.575 1.00 0.00 N ATOM 979 CA ASP A 67 4.301 1.557 -4.436 1.00 0.00 C ATOM 980 C ASP A 67 5.050 0.928 -3.259 1.00 0.00 C ATOM 981 O ASP A 67 5.154 1.531 -2.192 1.00 0.00 O ATOM 982 CB ASP A 67 4.150 3.053 -4.155 1.00 0.00 C ATOM 983 CG ASP A 67 5.462 3.802 -3.919 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.396 3.161 -3.392 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.502 5.001 -4.273 1.00 0.00 O ATOM 0 H ASP A 67 2.256 1.340 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 67 4.847 1.420 -5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.632 3.515 -4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.514 3.180 -3.279 1.00 0.00 H new ATOM 989 N LEU A 68 5.553 -0.275 -3.493 1.00 0.00 N ATOM 990 CA LEU A 68 6.290 -0.992 -2.467 1.00 0.00 C ATOM 991 C LEU A 68 7.432 -0.110 -1.956 1.00 0.00 C ATOM 992 O LEU A 68 7.959 -0.339 -0.868 1.00 0.00 O ATOM 993 CB LEU A 68 6.751 -2.353 -2.989 1.00 0.00 C ATOM 994 CG LEU A 68 5.774 -3.082 -3.915 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.184 -4.543 -4.104 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.337 -2.951 -3.408 1.00 0.00 C ATOM 0 H LEU A 68 5.464 -0.772 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 68 5.645 -1.206 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.692 -2.216 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.959 -2.996 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 68 5.814 -2.607 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.473 -5.038 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.181 -4.587 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.191 -5.047 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.663 -3.478 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.262 -3.384 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.060 -1.898 -3.368 1.00 0.00 H new ATOM 1007 N LYS A 69 7.781 0.878 -2.765 1.00 0.00 N ATOM 1008 CA LYS A 69 8.851 1.795 -2.409 1.00 0.00 C ATOM 1009 C LYS A 69 8.405 2.657 -1.226 1.00 0.00 C ATOM 1010 O LYS A 69 9.205 3.401 -0.659 1.00 0.00 O ATOM 1011 CB LYS A 69 9.292 2.606 -3.629 1.00 0.00 C ATOM 1012 CG LYS A 69 9.604 1.688 -4.813 1.00 0.00 C ATOM 1013 CD LYS A 69 10.962 2.030 -5.430 1.00 0.00 C ATOM 1014 CE LYS A 69 10.946 1.819 -6.945 1.00 0.00 C ATOM 1015 NZ LYS A 69 12.217 1.211 -7.397 1.00 0.00 N ATOM 0 H LYS A 69 7.342 1.064 -3.667 1.00 0.00 H new ATOM 0 HA LYS A 69 9.734 1.243 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.507 3.309 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.174 3.196 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.602 0.649 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.823 1.784 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.216 3.066 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.736 1.408 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.110 1.175 -7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.793 2.773 -7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.189 1.075 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.009 1.839 -7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.347 0.291 -6.929 1.00 0.00 H new ATOM 1025 N LYS A 70 7.130 2.531 -0.890 1.00 0.00 N ATOM 1026 CA LYS A 70 6.568 3.289 0.214 1.00 0.00 C ATOM 1027 C LYS A 70 5.724 2.360 1.089 1.00 0.00 C ATOM 1028 O LYS A 70 4.882 2.821 1.859 1.00 0.00 O ATOM 1029 CB LYS A 70 5.802 4.507 -0.307 1.00 0.00 C ATOM 1030 CG LYS A 70 6.747 5.499 -0.989 1.00 0.00 C ATOM 1031 CD LYS A 70 6.435 6.935 -0.565 1.00 0.00 C ATOM 1032 CE LYS A 70 7.410 7.922 -1.209 1.00 0.00 C ATOM 1033 NZ LYS A 70 7.076 8.124 -2.637 1.00 0.00 N ATOM 0 H LYS A 70 6.470 1.915 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 70 7.362 3.687 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.036 4.185 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.288 4.998 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.779 5.257 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.656 5.408 -2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.414 7.188 -0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.492 7.018 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.372 8.876 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.429 7.547 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.727 8.822 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.168 7.222 -3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.099 8.470 -2.719 1.00 0.00 H new ATOM 1043 N ILE A 71 5.977 1.068 0.939 1.00 0.00 N ATOM 1044 CA ILE A 71 5.250 0.071 1.706 1.00 0.00 C ATOM 1045 C ILE A 71 5.535 0.272 3.196 1.00 0.00 C ATOM 1046 O ILE A 71 6.491 0.954 3.562 1.00 0.00 O ATOM 1047 CB ILE A 71 5.579 -1.336 1.202 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.303 -2.110 0.866 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.459 -2.086 2.204 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.615 -3.577 0.563 1.00 0.00 C ATOM 0 H ILE A 71 6.674 0.689 0.298 1.00 0.00 H new ATOM 0 HA ILE A 71 4.176 0.192 1.567 1.00 0.00 H new ATOM 0 HB ILE A 71 6.151 -1.243 0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.605 -2.048 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.812 -1.654 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.678 -3.083 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.391 -1.540 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.936 -2.170 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.691 -4.104 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.294 -3.636 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.083 -4.037 1.433 1.00 0.00 H new ATOM 1061 N GLN A 72 4.688 -0.335 4.015 1.00 0.00 N ATOM 1062 CA GLN A 72 4.837 -0.231 5.456 1.00 0.00 C ATOM 1063 C GLN A 72 4.312 -1.497 6.137 1.00 0.00 C ATOM 1064 O GLN A 72 3.347 -1.442 6.899 1.00 0.00 O ATOM 1065 CB GLN A 72 4.128 1.014 5.992 1.00 0.00 C ATOM 1066 CG GLN A 72 5.002 2.258 5.824 1.00 0.00 C ATOM 1067 CD GLN A 72 4.582 3.359 6.801 1.00 0.00 C ATOM 1068 OE1 GLN A 72 5.120 3.499 7.887 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.595 4.130 6.354 1.00 0.00 N ATOM 0 H GLN A 72 3.897 -0.900 3.708 1.00 0.00 H new ATOM 0 HA GLN A 72 5.898 -0.132 5.686 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.184 1.154 5.465 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.887 0.874 7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.047 1.998 5.991 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.925 2.626 4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.189 3.957 5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.244 4.894 6.931 1.00 0.00 H new ATOM 1076 N PHE A 73 4.969 -2.608 5.836 1.00 0.00 N ATOM 1077 CA PHE A 73 4.579 -3.885 6.410 1.00 0.00 C ATOM 1078 C PHE A 73 4.101 -3.716 7.853 1.00 0.00 C ATOM 1079 O PHE A 73 4.507 -2.779 8.539 1.00 0.00 O ATOM 1080 CB PHE A 73 5.822 -4.778 6.399 1.00 0.00 C ATOM 1081 CG PHE A 73 6.059 -5.499 5.070 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.616 -4.832 4.024 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.712 -6.807 4.936 1.00 0.00 C ATOM 1084 CE1 PHE A 73 6.836 -5.503 2.791 1.00 0.00 C ATOM 1085 CE2 PHE A 73 5.931 -7.477 3.703 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.488 -6.811 2.657 1.00 0.00 C ATOM 0 H PHE A 73 5.768 -2.650 5.203 1.00 0.00 H new ATOM 0 HA PHE A 73 3.761 -4.317 5.833 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.696 -4.169 6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.731 -5.520 7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.891 -3.793 4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.270 -7.336 5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.280 -4.974 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.655 -8.516 3.596 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.654 -7.321 1.719 1.00 0.00 H new ATOM 1095 N PRO A 74 3.221 -4.661 8.281 1.00 0.00 N ATOM 1096 CA PRO A 74 2.683 -4.625 9.631 1.00 0.00 C ATOM 1097 C PRO A 74 3.727 -5.084 10.649 1.00 0.00 C ATOM 1098 O PRO A 74 4.737 -5.684 10.283 1.00 0.00 O ATOM 1099 CB PRO A 74 1.458 -5.524 9.588 1.00 0.00 C ATOM 1100 CG PRO A 74 1.620 -6.392 8.352 1.00 0.00 C ATOM 1101 CD PRO A 74 2.719 -5.784 7.496 1.00 0.00 C ATOM 0 HA PRO A 74 2.412 -3.619 9.951 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.391 -6.135 10.488 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.543 -4.934 9.534 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.877 -7.413 8.634 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.685 -6.441 7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.508 -6.508 7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.333 -5.452 6.532 1.00 0.00 H new