USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 959 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 96 GLN : amide:sc= -3.33! C(o=-2.1!,f=-8.4!) USER MOD Set 1.2: A 98 TYR OH : rot -67:sc= 1.19 USER MOD Set 2.1: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 116 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.54) USER MOD Set 3.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 67 GLN : amide:sc= -0.414 K(o=-0.41,f=-7.3!) USER MOD Set 4.1: A 36 TYR OH : rot 110:sc= 0.489 USER MOD Set 4.2: A 52 ASN : amide:sc= -3.91! C(o=-3.4!,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0256 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 23:sc= 0.994 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.023) USER MOD Single : A 15 ASN : amide:sc= -0.0547 X(o=-0.055,f=-0.34) USER MOD Single : A 18 CYS SG : rot 23:sc= 0.00183 USER MOD Single : A 26 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.4!) USER MOD Single : A 28 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.21) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 42 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.4!) USER MOD Single : A 44 ASN : amide:sc= -1.78 K(o=-1.8,f=-1.1) USER MOD Single : A 45 CYS SG : rot -26:sc= -1.99! USER MOD Single : A 49 TYR OH : rot 180:sc= -0.589 USER MOD Single : A 50 MET CE :methyl -120:sc= -6.42! (180deg=-13.1!) USER MOD Single : A 54 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.097) USER MOD Single : A 55 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.167 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.397 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.105 K(o=-0.1,f=-2.7!) USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= 0.207 (180deg=-0.0283) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -112:sc= 0.399 USER MOD Single : A 88 CYS SG : rot -68:sc= -3.35 USER MOD Single : A 92 ASN : amide:sc=-0.000582 X(o=-0.00058,f=-0.019) USER MOD Single : A 95 SER OG : rot 30:sc= 0.0181 USER MOD Single : A 101 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.438 K(o=-0.44,f=-2.7!) USER MOD Single : A 119 SER OG : rot -114:sc= 0.87 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot -52:sc= 0.0239 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 52:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.687 -14.561 8.644 1.00 0.00 N ATOM 2 CA GLY A 1 -13.334 -14.038 7.336 1.00 0.00 C ATOM 3 C GLY A 1 -14.308 -12.941 6.902 1.00 0.00 C ATOM 4 O GLY A 1 -15.503 -13.020 7.184 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.540 -15.590 8.658 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.088 -14.116 9.369 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.686 -14.351 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.320 -13.639 7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.341 -14.845 6.604 1.00 0.00 H new ATOM 8 N SER A 2 -13.762 -11.943 6.224 1.00 0.00 N ATOM 9 CA SER A 2 -14.569 -10.831 5.748 1.00 0.00 C ATOM 10 C SER A 2 -13.714 -9.893 4.894 1.00 0.00 C ATOM 11 O SER A 2 -14.024 -9.654 3.728 1.00 0.00 O ATOM 12 CB SER A 2 -15.194 -10.066 6.916 1.00 0.00 C ATOM 13 OG SER A 2 -16.613 -9.993 6.808 1.00 0.00 O ATOM 0 H SER A 2 -12.771 -11.880 5.992 1.00 0.00 H new ATOM 0 HA SER A 2 -15.378 -11.231 5.137 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.926 -10.554 7.853 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.781 -9.058 6.952 1.00 0.00 H new ATOM 0 HG SER A 2 -16.974 -9.499 7.573 1.00 0.00 H new ATOM 19 N SER A 3 -12.655 -9.385 5.508 1.00 0.00 N ATOM 20 CA SER A 3 -11.754 -8.477 4.819 1.00 0.00 C ATOM 21 C SER A 3 -10.852 -9.261 3.863 1.00 0.00 C ATOM 22 O SER A 3 -10.560 -10.432 4.100 1.00 0.00 O ATOM 23 CB SER A 3 -10.908 -7.680 5.814 1.00 0.00 C ATOM 24 OG SER A 3 -10.352 -6.509 5.223 1.00 0.00 O ATOM 0 H SER A 3 -12.401 -9.585 6.475 1.00 0.00 H new ATOM 0 HA SER A 3 -12.353 -7.770 4.245 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.523 -7.398 6.669 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.105 -8.311 6.194 1.00 0.00 H new ATOM 0 HG SER A 3 -9.820 -6.027 5.890 1.00 0.00 H new ATOM 30 N GLY A 4 -10.436 -8.583 2.804 1.00 0.00 N ATOM 31 CA GLY A 4 -9.573 -9.201 1.812 1.00 0.00 C ATOM 32 C GLY A 4 -10.289 -9.327 0.465 1.00 0.00 C ATOM 33 O GLY A 4 -9.864 -8.734 -0.526 1.00 0.00 O ATOM 0 H GLY A 4 -10.680 -7.612 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.667 -8.607 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.264 -10.188 2.157 1.00 0.00 H new ATOM 37 N SER A 5 -11.363 -10.102 0.472 1.00 0.00 N ATOM 38 CA SER A 5 -12.142 -10.313 -0.737 1.00 0.00 C ATOM 39 C SER A 5 -12.297 -8.994 -1.496 1.00 0.00 C ATOM 40 O SER A 5 -12.257 -7.920 -0.897 1.00 0.00 O ATOM 41 CB SER A 5 -13.515 -10.903 -0.411 1.00 0.00 C ATOM 42 OG SER A 5 -13.547 -12.316 -0.597 1.00 0.00 O ATOM 0 H SER A 5 -11.713 -10.592 1.296 1.00 0.00 H new ATOM 0 HA SER A 5 -11.611 -11.027 -1.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.775 -10.667 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.270 -10.437 -1.044 1.00 0.00 H new ATOM 0 HG SER A 5 -14.440 -12.655 -0.377 1.00 0.00 H new ATOM 48 N SER A 6 -12.471 -9.118 -2.803 1.00 0.00 N ATOM 49 CA SER A 6 -12.633 -7.948 -3.651 1.00 0.00 C ATOM 50 C SER A 6 -13.258 -8.353 -4.987 1.00 0.00 C ATOM 51 O SER A 6 -13.275 -9.532 -5.337 1.00 0.00 O ATOM 52 CB SER A 6 -11.293 -7.246 -3.882 1.00 0.00 C ATOM 53 OG SER A 6 -10.930 -6.414 -2.784 1.00 0.00 O ATOM 0 H SER A 6 -12.503 -10.010 -3.296 1.00 0.00 H new ATOM 0 HA SER A 6 -13.297 -7.247 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.516 -7.993 -4.043 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.351 -6.644 -4.789 1.00 0.00 H new ATOM 0 HG SER A 6 -11.392 -6.719 -1.975 1.00 0.00 H new ATOM 59 N GLY A 7 -13.757 -7.352 -5.698 1.00 0.00 N ATOM 60 CA GLY A 7 -14.382 -7.589 -6.988 1.00 0.00 C ATOM 61 C GLY A 7 -13.343 -7.570 -8.112 1.00 0.00 C ATOM 62 O GLY A 7 -13.455 -6.784 -9.052 1.00 0.00 O ATOM 0 H GLY A 7 -13.741 -6.375 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.894 -8.551 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.139 -6.828 -7.175 1.00 0.00 H new ATOM 66 N MET A 8 -12.357 -8.444 -7.978 1.00 0.00 N ATOM 67 CA MET A 8 -11.300 -8.537 -8.970 1.00 0.00 C ATOM 68 C MET A 8 -10.905 -7.150 -9.482 1.00 0.00 C ATOM 69 O MET A 8 -11.429 -6.686 -10.493 1.00 0.00 O ATOM 70 CB MET A 8 -11.774 -9.399 -10.142 1.00 0.00 C ATOM 71 CG MET A 8 -10.796 -10.545 -10.410 1.00 0.00 C ATOM 72 SD MET A 8 -11.437 -11.605 -11.695 1.00 0.00 S ATOM 73 CE MET A 8 -9.951 -12.489 -12.138 1.00 0.00 C ATOM 0 H MET A 8 -12.268 -9.094 -7.197 1.00 0.00 H new ATOM 0 HA MET A 8 -10.427 -8.993 -8.502 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.763 -9.803 -9.924 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.871 -8.783 -11.036 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.826 -10.145 -10.707 1.00 0.00 H new ATOM 0 HG3 MET A 8 -10.638 -11.120 -9.498 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.174 -13.199 -12.934 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.196 -11.782 -12.483 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.574 -13.026 -11.268 1.00 0.00 H new ATOM 83 N PRO A 9 -9.959 -6.512 -8.742 1.00 0.00 N ATOM 84 CA PRO A 9 -9.488 -5.188 -9.111 1.00 0.00 C ATOM 85 C PRO A 9 -8.548 -5.257 -10.316 1.00 0.00 C ATOM 86 O PRO A 9 -8.251 -6.341 -10.816 1.00 0.00 O ATOM 87 CB PRO A 9 -8.812 -4.648 -7.861 1.00 0.00 C ATOM 88 CG PRO A 9 -8.521 -5.859 -6.989 1.00 0.00 C ATOM 89 CD PRO A 9 -9.316 -7.032 -7.539 1.00 0.00 C ATOM 0 HA PRO A 9 -10.295 -4.528 -9.428 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.893 -4.117 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.458 -3.939 -7.343 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.455 -6.085 -6.993 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.800 -5.660 -5.954 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.667 -7.877 -7.770 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.053 -7.384 -6.817 1.00 0.00 H new ATOM 97 N TYR A 10 -8.105 -4.085 -10.748 1.00 0.00 N ATOM 98 CA TYR A 10 -7.205 -3.999 -11.886 1.00 0.00 C ATOM 99 C TYR A 10 -6.779 -2.551 -12.139 1.00 0.00 C ATOM 100 O TYR A 10 -7.389 -1.620 -11.615 1.00 0.00 O ATOM 101 CB TYR A 10 -7.999 -4.502 -13.092 1.00 0.00 C ATOM 102 CG TYR A 10 -7.141 -5.170 -14.168 1.00 0.00 C ATOM 103 CD1 TYR A 10 -6.844 -6.515 -14.077 1.00 0.00 C ATOM 104 CD2 TYR A 10 -6.663 -4.428 -15.229 1.00 0.00 C ATOM 105 CE1 TYR A 10 -6.036 -7.144 -15.090 1.00 0.00 C ATOM 106 CE2 TYR A 10 -5.855 -5.057 -16.242 1.00 0.00 C ATOM 107 CZ TYR A 10 -5.581 -6.384 -16.122 1.00 0.00 C ATOM 108 OH TYR A 10 -4.818 -6.977 -17.078 1.00 0.00 O ATOM 0 H TYR A 10 -8.352 -3.188 -10.331 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.303 -4.584 -11.707 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.751 -5.213 -12.748 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.534 -3.663 -13.537 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.217 -7.096 -13.246 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.895 -3.376 -15.300 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.797 -8.196 -15.031 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.475 -4.488 -17.078 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.566 -6.313 -17.753 1.00 0.00 H new ATOM 118 N VAL A 11 -5.735 -2.407 -12.942 1.00 0.00 N ATOM 119 CA VAL A 11 -5.220 -1.089 -13.271 1.00 0.00 C ATOM 120 C VAL A 11 -5.215 -0.219 -12.012 1.00 0.00 C ATOM 121 O VAL A 11 -6.202 0.451 -11.712 1.00 0.00 O ATOM 122 CB VAL A 11 -6.035 -0.479 -14.415 1.00 0.00 C ATOM 123 CG1 VAL A 11 -7.536 -0.609 -14.149 1.00 0.00 C ATOM 124 CG2 VAL A 11 -5.643 0.981 -14.649 1.00 0.00 C ATOM 0 H VAL A 11 -5.232 -3.182 -13.375 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.191 -1.158 -13.623 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.807 -1.036 -15.324 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.092 -0.168 -14.977 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.799 -1.663 -14.056 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.788 -0.089 -13.225 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.236 1.391 -15.466 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.828 1.557 -13.742 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.585 1.037 -14.905 1.00 0.00 H new ATOM 134 N ASP A 12 -4.092 -0.258 -11.310 1.00 0.00 N ATOM 135 CA ASP A 12 -3.945 0.518 -10.090 1.00 0.00 C ATOM 136 C ASP A 12 -2.487 0.465 -9.630 1.00 0.00 C ATOM 137 O ASP A 12 -1.918 -0.615 -9.479 1.00 0.00 O ATOM 138 CB ASP A 12 -4.816 -0.050 -8.968 1.00 0.00 C ATOM 139 CG ASP A 12 -5.808 0.940 -8.355 1.00 0.00 C ATOM 140 OD1 ASP A 12 -5.621 2.152 -8.595 1.00 0.00 O ATOM 141 OD2 ASP A 12 -6.730 0.462 -7.660 1.00 0.00 O ATOM 0 H ASP A 12 -3.275 -0.815 -11.563 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.253 1.542 -10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.371 -0.904 -9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.165 -0.425 -8.178 1.00 0.00 H new ATOM 146 N ARG A 13 -1.923 1.646 -9.420 1.00 0.00 N ATOM 147 CA ARG A 13 -0.542 1.748 -8.980 1.00 0.00 C ATOM 148 C ARG A 13 -0.441 1.473 -7.478 1.00 0.00 C ATOM 149 O ARG A 13 0.031 2.318 -6.720 1.00 0.00 O ATOM 150 CB ARG A 13 0.030 3.135 -9.278 1.00 0.00 C ATOM 151 CG ARG A 13 0.727 3.161 -10.639 1.00 0.00 C ATOM 152 CD ARG A 13 0.333 4.409 -11.433 1.00 0.00 C ATOM 153 NE ARG A 13 -0.510 4.029 -12.588 1.00 0.00 N ATOM 154 CZ ARG A 13 -0.911 4.883 -13.539 1.00 0.00 C ATOM 155 NH1 ARG A 13 -0.549 6.172 -13.478 1.00 0.00 N ATOM 156 NH2 ARG A 13 -1.675 4.449 -14.551 1.00 0.00 N ATOM 0 H ARG A 13 -2.398 2.540 -9.546 1.00 0.00 H new ATOM 0 HA ARG A 13 0.036 1.004 -9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.771 3.874 -9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.738 3.415 -8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.808 3.141 -10.499 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.462 2.267 -11.204 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.208 5.103 -10.790 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.227 4.927 -11.780 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.804 3.055 -12.665 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.032 6.503 -12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.854 6.822 -14.202 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.951 3.468 -14.597 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.980 5.099 -15.275 1.00 0.00 H new ATOM 170 N GLN A 14 -0.894 0.289 -7.094 1.00 0.00 N ATOM 171 CA GLN A 14 -0.860 -0.108 -5.697 1.00 0.00 C ATOM 172 C GLN A 14 0.561 0.013 -5.144 1.00 0.00 C ATOM 173 O GLN A 14 0.755 0.106 -3.933 1.00 0.00 O ATOM 174 CB GLN A 14 -1.400 -1.528 -5.516 1.00 0.00 C ATOM 175 CG GLN A 14 -0.479 -2.553 -6.181 1.00 0.00 C ATOM 176 CD GLN A 14 -1.259 -3.446 -7.148 1.00 0.00 C ATOM 177 OE1 GLN A 14 -2.248 -4.069 -6.797 1.00 0.00 O ATOM 178 NE2 GLN A 14 -0.761 -3.474 -8.380 1.00 0.00 N ATOM 0 H GLN A 14 -1.287 -0.409 -7.726 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.506 0.565 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.493 -1.753 -4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.399 -1.599 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.317 -2.037 -6.718 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.002 -3.168 -5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.070 -2.928 -8.607 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.210 -4.041 -9.099 1.00 0.00 H new ATOM 187 N ASN A 15 1.520 0.007 -6.059 1.00 0.00 N ATOM 188 CA ASN A 15 2.918 0.115 -5.678 1.00 0.00 C ATOM 189 C ASN A 15 3.159 1.472 -5.015 1.00 0.00 C ATOM 190 O ASN A 15 4.174 1.671 -4.349 1.00 0.00 O ATOM 191 CB ASN A 15 3.831 0.019 -6.902 1.00 0.00 C ATOM 192 CG ASN A 15 4.312 -1.418 -7.116 1.00 0.00 C ATOM 193 OD1 ASN A 15 4.760 -2.092 -6.204 1.00 0.00 O ATOM 194 ND2 ASN A 15 4.195 -1.846 -8.370 1.00 0.00 N ATOM 0 H ASN A 15 1.356 -0.071 -7.063 1.00 0.00 H new ATOM 0 HA ASN A 15 3.144 -0.702 -4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.296 0.363 -7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 15 4.689 0.678 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.489 -2.791 -8.616 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.811 -1.229 -9.086 1.00 0.00 H new ATOM 201 N ARG A 16 2.207 2.372 -5.218 1.00 0.00 N ATOM 202 CA ARG A 16 2.303 3.705 -4.648 1.00 0.00 C ATOM 203 C ARG A 16 1.237 4.619 -5.254 1.00 0.00 C ATOM 204 O ARG A 16 1.202 4.819 -6.467 1.00 0.00 O ATOM 205 CB ARG A 16 3.686 4.311 -4.895 1.00 0.00 C ATOM 206 CG ARG A 16 3.593 5.827 -5.085 1.00 0.00 C ATOM 207 CD ARG A 16 4.957 6.489 -4.877 1.00 0.00 C ATOM 208 NE ARG A 16 5.022 7.761 -5.631 1.00 0.00 N ATOM 209 CZ ARG A 16 6.153 8.443 -5.857 1.00 0.00 C ATOM 210 NH1 ARG A 16 7.320 7.980 -5.389 1.00 0.00 N ATOM 211 NH2 ARG A 16 6.117 9.589 -6.552 1.00 0.00 N ATOM 0 H ARG A 16 1.366 2.204 -5.769 1.00 0.00 H new ATOM 0 HA ARG A 16 2.144 3.619 -3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.342 4.086 -4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.134 3.857 -5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.225 6.050 -6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.872 6.242 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.121 6.677 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.750 5.819 -5.209 1.00 0.00 H new ATOM 0 HE ARG A 16 4.152 8.142 -6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.348 7.108 -4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.181 8.499 -5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.229 9.942 -6.909 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.978 10.108 -6.724 1.00 0.00 H new ATOM 225 N ILE A 17 0.393 5.150 -4.382 1.00 0.00 N ATOM 226 CA ILE A 17 -0.672 6.039 -4.816 1.00 0.00 C ATOM 227 C ILE A 17 -0.165 7.482 -4.797 1.00 0.00 C ATOM 228 O ILE A 17 0.790 7.800 -4.089 1.00 0.00 O ATOM 229 CB ILE A 17 -1.930 5.818 -3.975 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.182 6.265 -4.733 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.809 6.508 -2.614 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.350 5.312 -4.472 1.00 0.00 C ATOM 0 H ILE A 17 0.425 4.982 -3.376 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.960 5.816 -5.843 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.031 4.749 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.456 7.274 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.970 6.303 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.717 6.335 -2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.953 6.102 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.671 7.579 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.227 5.652 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.081 4.308 -4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.575 5.295 -3.406 1.00 0.00 H new ATOM 244 N CYS A 18 -0.826 8.319 -5.584 1.00 0.00 N ATOM 245 CA CYS A 18 -0.454 9.721 -5.666 1.00 0.00 C ATOM 246 C CYS A 18 -1.718 10.537 -5.946 1.00 0.00 C ATOM 247 O CYS A 18 -2.654 10.043 -6.572 1.00 0.00 O ATOM 248 CB CYS A 18 0.625 9.959 -6.725 1.00 0.00 C ATOM 249 SG CYS A 18 0.043 9.365 -8.355 1.00 0.00 S ATOM 0 H CYS A 18 -1.617 8.053 -6.170 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.018 10.041 -4.719 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.864 11.021 -6.780 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.542 9.440 -6.445 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.256 9.325 -8.364 1.00 0.00 H new ATOM 255 N GLY A 19 -1.703 11.773 -5.468 1.00 0.00 N ATOM 256 CA GLY A 19 -2.836 12.662 -5.658 1.00 0.00 C ATOM 257 C GLY A 19 -2.729 13.889 -4.750 1.00 0.00 C ATOM 258 O GLY A 19 -1.645 14.219 -4.272 1.00 0.00 O ATOM 0 H GLY A 19 -0.924 12.179 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.883 12.979 -6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.762 12.127 -5.445 1.00 0.00 H new ATOM 262 N PHE A 20 -3.869 14.531 -4.539 1.00 0.00 N ATOM 263 CA PHE A 20 -3.917 15.713 -3.697 1.00 0.00 C ATOM 264 C PHE A 20 -4.904 15.525 -2.543 1.00 0.00 C ATOM 265 O PHE A 20 -6.035 15.089 -2.753 1.00 0.00 O ATOM 266 CB PHE A 20 -4.395 16.870 -4.576 1.00 0.00 C ATOM 267 CG PHE A 20 -3.335 17.392 -5.548 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.368 18.241 -5.108 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.359 17.007 -6.852 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.384 18.726 -6.010 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.375 17.492 -7.754 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.409 18.341 -7.314 1.00 0.00 C ATOM 0 H PHE A 20 -4.766 14.254 -4.937 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.932 15.905 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.266 16.545 -5.145 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.720 17.689 -3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.348 18.547 -4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.126 16.332 -7.202 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.616 19.400 -5.660 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.394 17.186 -8.790 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.661 18.710 -8.000 1.00 0.00 H new ATOM 282 N LEU A 21 -4.440 15.862 -1.348 1.00 0.00 N ATOM 283 CA LEU A 21 -5.267 15.735 -0.161 1.00 0.00 C ATOM 284 C LEU A 21 -5.200 17.035 0.643 1.00 0.00 C ATOM 285 O LEU A 21 -4.133 17.631 0.780 1.00 0.00 O ATOM 286 CB LEU A 21 -4.867 14.495 0.641 1.00 0.00 C ATOM 287 CG LEU A 21 -4.913 13.165 -0.114 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.230 12.056 0.688 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.349 12.798 -0.491 1.00 0.00 C ATOM 0 H LEU A 21 -3.501 16.223 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.310 15.584 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.855 14.641 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.523 14.421 1.509 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.356 13.280 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.277 11.121 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.188 12.323 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.738 11.933 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.353 11.849 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.951 12.707 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.768 13.576 -1.129 1.00 0.00 H new ATOM 301 N ASP A 22 -6.355 17.437 1.155 1.00 0.00 N ATOM 302 CA ASP A 22 -6.441 18.656 1.941 1.00 0.00 C ATOM 303 C ASP A 22 -6.284 18.312 3.424 1.00 0.00 C ATOM 304 O ASP A 22 -7.262 17.991 4.097 1.00 0.00 O ATOM 305 CB ASP A 22 -7.798 19.337 1.755 1.00 0.00 C ATOM 306 CG ASP A 22 -7.782 20.573 0.853 1.00 0.00 C ATOM 307 OD1 ASP A 22 -6.678 21.130 0.673 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.875 20.933 0.365 1.00 0.00 O ATOM 0 H ASP A 22 -7.238 16.940 1.041 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.651 19.329 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.498 18.612 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.181 19.625 2.734 1.00 0.00 H new ATOM 313 N ILE A 23 -5.046 18.392 3.889 1.00 0.00 N ATOM 314 CA ILE A 23 -4.749 18.093 5.280 1.00 0.00 C ATOM 315 C ILE A 23 -5.048 19.325 6.137 1.00 0.00 C ATOM 316 O ILE A 23 -4.523 20.407 5.878 1.00 0.00 O ATOM 317 CB ILE A 23 -3.315 17.578 5.423 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.954 17.361 6.894 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.325 18.510 4.722 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.770 16.402 7.032 1.00 0.00 C ATOM 0 H ILE A 23 -4.237 18.659 3.328 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.390 17.289 5.642 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.250 16.609 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.708 18.317 7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.815 16.960 7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.314 18.121 4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.570 18.570 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.385 19.504 5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.534 16.265 8.087 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.028 15.440 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.904 16.817 6.517 1.00 0.00 H new ATOM 332 N GLU A 24 -5.889 19.119 7.139 1.00 0.00 N ATOM 333 CA GLU A 24 -6.264 20.200 8.035 1.00 0.00 C ATOM 334 C GLU A 24 -5.105 20.536 8.975 1.00 0.00 C ATOM 335 O GLU A 24 -4.639 19.679 9.724 1.00 0.00 O ATOM 336 CB GLU A 24 -7.525 19.844 8.825 1.00 0.00 C ATOM 337 CG GLU A 24 -8.182 21.099 9.404 1.00 0.00 C ATOM 338 CD GLU A 24 -9.385 20.735 10.276 1.00 0.00 C ATOM 339 OE1 GLU A 24 -9.346 19.634 10.866 1.00 0.00 O ATOM 340 OE2 GLU A 24 -10.317 21.567 10.334 1.00 0.00 O ATOM 0 H GLU A 24 -6.322 18.220 7.351 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.487 21.082 7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.231 19.326 8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.271 19.157 9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.454 21.655 9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.501 21.754 8.593 1.00 0.00 H new ATOM 347 N ASP A 25 -4.672 21.786 8.905 1.00 0.00 N ATOM 348 CA ASP A 25 -3.576 22.247 9.740 1.00 0.00 C ATOM 349 C ASP A 25 -4.131 23.121 10.867 1.00 0.00 C ATOM 350 O ASP A 25 -5.305 23.488 10.851 1.00 0.00 O ATOM 351 CB ASP A 25 -2.585 23.088 8.934 1.00 0.00 C ATOM 352 CG ASP A 25 -1.323 23.505 9.693 1.00 0.00 C ATOM 353 OD1 ASP A 25 -0.368 22.699 9.691 1.00 0.00 O ATOM 354 OD2 ASP A 25 -1.343 24.620 10.257 1.00 0.00 O ATOM 0 H ASP A 25 -5.061 22.494 8.282 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.065 21.371 10.138 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.289 22.525 8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.094 23.986 8.584 1.00 0.00 H new ATOM 359 N ASN A 26 -3.261 23.429 11.817 1.00 0.00 N ATOM 360 CA ASN A 26 -3.650 24.253 12.949 1.00 0.00 C ATOM 361 C ASN A 26 -3.425 25.726 12.603 1.00 0.00 C ATOM 362 O ASN A 26 -3.425 26.582 13.486 1.00 0.00 O ATOM 363 CB ASN A 26 -2.809 23.924 14.184 1.00 0.00 C ATOM 364 CG ASN A 26 -3.372 24.612 15.430 1.00 0.00 C ATOM 365 OD1 ASN A 26 -4.331 25.364 15.375 1.00 0.00 O ATOM 366 ND2 ASN A 26 -2.724 24.313 16.552 1.00 0.00 N ATOM 0 H ASN A 26 -2.288 23.123 11.826 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.700 24.056 13.165 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.789 22.845 14.338 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.779 24.242 14.022 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.023 24.721 17.438 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.928 23.675 16.527 1.00 0.00 H new ATOM 373 N GLU A 27 -3.239 25.977 11.315 1.00 0.00 N ATOM 374 CA GLU A 27 -3.014 27.332 10.841 1.00 0.00 C ATOM 375 C GLU A 27 -4.086 28.273 11.394 1.00 0.00 C ATOM 376 O GLU A 27 -3.770 29.252 12.069 1.00 0.00 O ATOM 377 CB GLU A 27 -2.978 27.379 9.313 1.00 0.00 C ATOM 378 CG GLU A 27 -1.550 27.586 8.804 1.00 0.00 C ATOM 379 CD GLU A 27 -1.282 29.064 8.509 1.00 0.00 C ATOM 380 OE1 GLU A 27 -1.165 29.826 9.492 1.00 0.00 O ATOM 381 OE2 GLU A 27 -1.199 29.397 7.307 1.00 0.00 O ATOM 0 H GLU A 27 -3.240 25.265 10.585 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.043 27.667 11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.381 26.451 8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.616 28.187 8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.839 27.225 9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.393 26.997 7.900 1.00 0.00 H new ATOM 388 N ASN A 28 -5.332 27.943 11.088 1.00 0.00 N ATOM 389 CA ASN A 28 -6.453 28.747 11.545 1.00 0.00 C ATOM 390 C ASN A 28 -7.615 27.826 11.921 1.00 0.00 C ATOM 391 O ASN A 28 -8.762 28.265 11.993 1.00 0.00 O ATOM 392 CB ASN A 28 -6.937 29.694 10.446 1.00 0.00 C ATOM 393 CG ASN A 28 -5.794 30.578 9.941 1.00 0.00 C ATOM 394 OD1 ASN A 28 -5.302 31.455 10.632 1.00 0.00 O ATOM 395 ND2 ASN A 28 -5.401 30.298 8.702 1.00 0.00 N ATOM 0 H ASN A 28 -5.590 27.130 10.529 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.121 29.331 12.403 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.348 29.116 9.618 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.743 30.320 10.829 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.644 30.831 8.274 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.857 29.550 8.179 1.00 0.00 H new ATOM 402 N SER A 29 -7.279 26.565 12.151 1.00 0.00 N ATOM 403 CA SER A 29 -8.281 25.578 12.517 1.00 0.00 C ATOM 404 C SER A 29 -9.519 25.736 11.633 1.00 0.00 C ATOM 405 O SER A 29 -10.472 26.417 12.010 1.00 0.00 O ATOM 406 CB SER A 29 -8.663 25.703 13.993 1.00 0.00 C ATOM 407 OG SER A 29 -8.126 24.640 14.776 1.00 0.00 O ATOM 0 H SER A 29 -6.327 26.204 12.091 1.00 0.00 H new ATOM 0 HA SER A 29 -7.857 24.586 12.362 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.304 26.656 14.381 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.749 25.710 14.087 1.00 0.00 H new ATOM 0 HG SER A 29 -8.391 24.757 15.712 1.00 0.00 H new ATOM 413 N GLY A 30 -9.466 25.096 10.475 1.00 0.00 N ATOM 414 CA GLY A 30 -10.572 25.157 9.534 1.00 0.00 C ATOM 415 C GLY A 30 -10.069 25.082 8.091 1.00 0.00 C ATOM 416 O GLY A 30 -10.723 24.493 7.232 1.00 0.00 O ATOM 0 H GLY A 30 -8.674 24.532 10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.263 24.336 9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.129 26.082 9.681 1.00 0.00 H new ATOM 420 N LYS A 31 -8.911 25.687 7.869 1.00 0.00 N ATOM 421 CA LYS A 31 -8.313 25.696 6.545 1.00 0.00 C ATOM 422 C LYS A 31 -7.428 24.459 6.381 1.00 0.00 C ATOM 423 O LYS A 31 -6.698 24.088 7.299 1.00 0.00 O ATOM 424 CB LYS A 31 -7.578 27.015 6.298 1.00 0.00 C ATOM 425 CG LYS A 31 -6.888 27.011 4.932 1.00 0.00 C ATOM 426 CD LYS A 31 -5.602 27.839 4.966 1.00 0.00 C ATOM 427 CE LYS A 31 -5.623 28.928 3.892 1.00 0.00 C ATOM 428 NZ LYS A 31 -4.914 30.138 4.366 1.00 0.00 N ATOM 0 H LYS A 31 -8.371 26.174 8.584 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.085 25.640 5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.284 27.844 6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.839 27.176 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.658 25.986 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.564 27.413 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.485 28.295 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.742 27.188 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.153 28.558 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.653 29.179 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.938 30.867 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.380 30.500 5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.926 29.898 4.584 1.00 0.00 H new ATOM 442 N PHE A 32 -7.522 23.855 5.206 1.00 0.00 N ATOM 443 CA PHE A 32 -6.739 22.667 4.911 1.00 0.00 C ATOM 444 C PHE A 32 -5.614 22.984 3.923 1.00 0.00 C ATOM 445 O PHE A 32 -5.845 23.621 2.897 1.00 0.00 O ATOM 446 CB PHE A 32 -7.689 21.651 4.274 1.00 0.00 C ATOM 447 CG PHE A 32 -8.896 21.297 5.146 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.941 22.161 5.244 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.923 20.117 5.822 1.00 0.00 C ATOM 450 CE1 PHE A 32 -11.061 21.832 6.053 1.00 0.00 C ATOM 451 CE2 PHE A 32 -10.042 19.788 6.631 1.00 0.00 C ATOM 452 CZ PHE A 32 -11.088 20.653 6.730 1.00 0.00 C ATOM 0 H PHE A 32 -8.128 24.166 4.447 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.287 22.283 5.825 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.044 22.048 3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.134 20.739 4.052 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.920 23.098 4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.093 19.430 5.743 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.891 22.518 6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.063 18.851 7.168 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.939 20.403 7.346 1.00 0.00 H new ATOM 462 N LEU A 33 -4.420 22.524 4.267 1.00 0.00 N ATOM 463 CA LEU A 33 -3.259 22.750 3.424 1.00 0.00 C ATOM 464 C LEU A 33 -3.291 21.774 2.246 1.00 0.00 C ATOM 465 O LEU A 33 -2.889 20.620 2.380 1.00 0.00 O ATOM 466 CB LEU A 33 -1.973 22.674 4.250 1.00 0.00 C ATOM 467 CG LEU A 33 -1.778 23.779 5.290 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.293 24.090 5.486 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.582 25.027 4.921 1.00 0.00 C ATOM 0 H LEU A 33 -4.232 21.995 5.119 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.283 23.756 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.950 21.712 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.124 22.692 3.567 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.161 23.421 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.182 24.879 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.225 23.193 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.138 24.420 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.426 25.797 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.252 25.398 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.642 24.776 4.873 1.00 0.00 H new ATOM 481 N ARG A 34 -3.775 22.274 1.118 1.00 0.00 N ATOM 482 CA ARG A 34 -3.866 21.460 -0.082 1.00 0.00 C ATOM 483 C ARG A 34 -2.466 21.124 -0.603 1.00 0.00 C ATOM 484 O ARG A 34 -1.756 22.000 -1.093 1.00 0.00 O ATOM 485 CB ARG A 34 -4.650 22.183 -1.179 1.00 0.00 C ATOM 486 CG ARG A 34 -4.687 21.353 -2.464 1.00 0.00 C ATOM 487 CD ARG A 34 -3.790 21.969 -3.541 1.00 0.00 C ATOM 488 NE ARG A 34 -3.772 21.103 -4.740 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.811 20.950 -5.573 1.00 0.00 C ATOM 490 NH1 ARG A 34 -5.957 21.604 -5.341 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.703 20.142 -6.637 1.00 0.00 N ATOM 0 H ARG A 34 -4.108 23.232 1.010 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.391 20.541 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.667 22.376 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.192 23.151 -1.380 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.361 20.335 -2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.711 21.290 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.154 22.962 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.778 22.092 -3.156 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.915 20.590 -4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.039 22.218 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.748 21.488 -5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.830 19.644 -6.813 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.493 20.025 -7.271 1.00 0.00 H new ATOM 505 N ARG A 35 -2.113 19.853 -0.478 1.00 0.00 N ATOM 506 CA ARG A 35 -0.812 19.391 -0.929 1.00 0.00 C ATOM 507 C ARG A 35 -0.957 18.091 -1.723 1.00 0.00 C ATOM 508 O ARG A 35 -1.991 17.428 -1.652 1.00 0.00 O ATOM 509 CB ARG A 35 0.130 19.156 0.253 1.00 0.00 C ATOM 510 CG ARG A 35 0.306 20.434 1.076 1.00 0.00 C ATOM 511 CD ARG A 35 1.012 21.519 0.260 1.00 0.00 C ATOM 512 NE ARG A 35 1.358 22.664 1.132 1.00 0.00 N ATOM 513 CZ ARG A 35 0.512 23.656 1.440 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.735 23.650 0.949 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.913 24.654 2.239 1.00 0.00 N ATOM 0 H ARG A 35 -2.705 19.129 -0.071 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.388 20.166 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.267 18.363 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.100 18.818 -0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.668 20.797 1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.884 20.216 1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.915 21.113 -0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.367 21.852 -0.553 1.00 0.00 H new ATOM 0 HE ARG A 35 2.299 22.700 1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.040 22.890 0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.379 24.405 1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.862 24.658 2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.269 25.409 2.474 1.00 0.00 H new ATOM 529 N TYR A 36 0.095 17.764 -2.460 1.00 0.00 N ATOM 530 CA TYR A 36 0.098 16.555 -3.266 1.00 0.00 C ATOM 531 C TYR A 36 0.790 15.407 -2.529 1.00 0.00 C ATOM 532 O TYR A 36 2.013 15.280 -2.579 1.00 0.00 O ATOM 533 CB TYR A 36 0.896 16.891 -4.527 1.00 0.00 C ATOM 534 CG TYR A 36 0.788 15.838 -5.631 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.417 15.631 -6.272 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.895 15.094 -5.986 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.519 14.639 -7.311 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.793 14.102 -7.026 1.00 0.00 C ATOM 539 CZ TYR A 36 0.591 13.924 -7.636 1.00 0.00 C ATOM 540 OH TYR A 36 0.494 12.987 -8.618 1.00 0.00 O ATOM 0 H TYR A 36 0.951 18.316 -2.516 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.921 16.239 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.552 17.849 -4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.945 17.015 -4.258 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.283 16.213 -5.994 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.838 15.255 -5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.456 14.467 -7.820 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.651 13.513 -7.314 1.00 0.00 H new ATOM 0 HH TYR A 36 0.984 13.291 -9.410 1.00 0.00 H new ATOM 550 N PHE A 37 -0.022 14.599 -1.862 1.00 0.00 N ATOM 551 CA PHE A 37 0.497 13.466 -1.116 1.00 0.00 C ATOM 552 C PHE A 37 0.931 12.341 -2.059 1.00 0.00 C ATOM 553 O PHE A 37 0.374 12.187 -3.144 1.00 0.00 O ATOM 554 CB PHE A 37 -0.638 12.959 -0.225 1.00 0.00 C ATOM 555 CG PHE A 37 -0.845 13.782 1.048 1.00 0.00 C ATOM 556 CD1 PHE A 37 -0.909 15.138 0.978 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.965 13.156 2.250 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.101 15.902 2.160 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.157 13.920 3.431 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.221 15.277 3.361 1.00 0.00 C ATOM 0 H PHE A 37 -1.036 14.707 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 37 1.366 13.771 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.564 12.958 -0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.434 11.925 0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.814 15.635 0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.914 12.079 2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.152 16.979 2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.252 13.424 4.385 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.367 15.858 4.260 1.00 0.00 H new ATOM 570 N ILE A 38 1.921 11.584 -1.609 1.00 0.00 N ATOM 571 CA ILE A 38 2.436 10.479 -2.399 1.00 0.00 C ATOM 572 C ILE A 38 2.774 9.310 -1.472 1.00 0.00 C ATOM 573 O ILE A 38 3.727 9.383 -0.697 1.00 0.00 O ATOM 574 CB ILE A 38 3.612 10.939 -3.262 1.00 0.00 C ATOM 575 CG1 ILE A 38 3.121 11.571 -4.566 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.589 9.789 -3.516 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.209 12.443 -5.197 1.00 0.00 C ATOM 0 H ILE A 38 2.380 11.714 -0.707 1.00 0.00 H new ATOM 0 HA ILE A 38 1.678 10.124 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 38 4.156 11.709 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.826 10.788 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.234 12.174 -4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.416 10.143 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.976 9.423 -2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.072 8.980 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.834 12.880 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.484 13.239 -4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.085 11.832 -5.414 1.00 0.00 H new ATOM 589 N LEU A 39 1.976 8.258 -1.582 1.00 0.00 N ATOM 590 CA LEU A 39 2.178 7.075 -0.763 1.00 0.00 C ATOM 591 C LEU A 39 3.388 6.299 -1.287 1.00 0.00 C ATOM 592 O LEU A 39 3.293 5.600 -2.295 1.00 0.00 O ATOM 593 CB LEU A 39 0.896 6.244 -0.696 1.00 0.00 C ATOM 594 CG LEU A 39 0.782 5.280 0.487 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.858 6.033 1.816 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.485 4.430 0.381 1.00 0.00 C ATOM 0 H LEU A 39 1.188 8.200 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 39 2.401 7.357 0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.046 6.926 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.811 5.668 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 39 1.631 4.597 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.775 5.325 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.811 6.557 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.042 6.754 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.542 3.754 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.360 5.080 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.458 3.850 -0.541 1.00 0.00 H new ATOM 608 N ASP A 40 4.498 6.448 -0.579 1.00 0.00 N ATOM 609 CA ASP A 40 5.725 5.769 -0.961 1.00 0.00 C ATOM 610 C ASP A 40 5.955 4.578 -0.028 1.00 0.00 C ATOM 611 O ASP A 40 6.193 4.757 1.166 1.00 0.00 O ATOM 612 CB ASP A 40 6.931 6.703 -0.841 1.00 0.00 C ATOM 613 CG ASP A 40 6.880 7.677 0.338 1.00 0.00 C ATOM 614 OD1 ASP A 40 6.011 8.574 0.296 1.00 0.00 O ATOM 615 OD2 ASP A 40 7.712 7.502 1.255 1.00 0.00 O ATOM 0 H ASP A 40 4.574 7.028 0.256 1.00 0.00 H new ATOM 0 HA ASP A 40 5.622 5.443 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.833 6.098 -0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.020 7.277 -1.763 1.00 0.00 H new ATOM 620 N THR A 41 5.877 3.390 -0.608 1.00 0.00 N ATOM 621 CA THR A 41 6.074 2.170 0.156 1.00 0.00 C ATOM 622 C THR A 41 7.566 1.906 0.366 1.00 0.00 C ATOM 623 O THR A 41 7.977 1.463 1.437 1.00 0.00 O ATOM 624 CB THR A 41 5.353 1.034 -0.573 1.00 0.00 C ATOM 625 OG1 THR A 41 6.228 0.699 -1.646 1.00 0.00 O ATOM 626 CG2 THR A 41 4.073 1.503 -1.268 1.00 0.00 C ATOM 0 H THR A 41 5.680 3.246 -1.598 1.00 0.00 H new ATOM 0 HA THR A 41 5.648 2.257 1.156 1.00 0.00 H new ATOM 0 HB THR A 41 5.111 0.243 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.838 -0.032 -2.170 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.601 0.658 -1.770 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.387 1.915 -0.528 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.318 2.270 -2.002 1.00 0.00 H new ATOM 634 N GLN A 42 8.336 2.191 -0.674 1.00 0.00 N ATOM 635 CA GLN A 42 9.774 1.990 -0.617 1.00 0.00 C ATOM 636 C GLN A 42 10.381 2.817 0.518 1.00 0.00 C ATOM 637 O GLN A 42 11.264 2.343 1.232 1.00 0.00 O ATOM 638 CB GLN A 42 10.429 2.334 -1.957 1.00 0.00 C ATOM 639 CG GLN A 42 9.886 1.446 -3.077 1.00 0.00 C ATOM 640 CD GLN A 42 10.874 0.328 -3.419 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.895 0.150 -2.776 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.514 -0.411 -4.464 1.00 0.00 N ATOM 0 H GLN A 42 7.991 2.559 -1.561 1.00 0.00 H new ATOM 0 HA GLN A 42 9.966 0.936 -0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.245 3.381 -2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.509 2.209 -1.880 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.933 1.013 -2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.694 2.050 -3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.645 -0.207 -4.958 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.107 -1.182 -4.772 1.00 0.00 H new ATOM 651 N ALA A 43 9.884 4.038 0.650 1.00 0.00 N ATOM 652 CA ALA A 43 10.366 4.935 1.686 1.00 0.00 C ATOM 653 C ALA A 43 9.702 4.574 3.016 1.00 0.00 C ATOM 654 O ALA A 43 10.244 4.860 4.083 1.00 0.00 O ATOM 655 CB ALA A 43 10.096 6.383 1.274 1.00 0.00 C ATOM 0 H ALA A 43 9.152 4.427 0.056 1.00 0.00 H new ATOM 0 HA ALA A 43 11.443 4.828 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.458 7.056 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.613 6.598 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.024 6.529 1.138 1.00 0.00 H new ATOM 661 N ASN A 44 8.537 3.950 2.910 1.00 0.00 N ATOM 662 CA ASN A 44 7.793 3.547 4.091 1.00 0.00 C ATOM 663 C ASN A 44 7.368 4.794 4.870 1.00 0.00 C ATOM 664 O ASN A 44 7.309 4.772 6.099 1.00 0.00 O ATOM 665 CB ASN A 44 8.653 2.683 5.015 1.00 0.00 C ATOM 666 CG ASN A 44 7.833 2.158 6.195 1.00 0.00 C ATOM 667 OD1 ASN A 44 6.977 1.299 6.057 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.141 2.720 7.360 1.00 0.00 N ATOM 0 H ASN A 44 8.091 3.714 2.024 1.00 0.00 H new ATOM 0 HA ASN A 44 6.926 2.973 3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.067 1.845 4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.496 3.267 5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.650 2.437 8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.868 3.434 7.406 1.00 0.00 H new ATOM 675 N CYS A 45 7.082 5.850 4.124 1.00 0.00 N ATOM 676 CA CYS A 45 6.664 7.103 4.729 1.00 0.00 C ATOM 677 C CYS A 45 5.748 7.831 3.743 1.00 0.00 C ATOM 678 O CYS A 45 5.628 7.427 2.587 1.00 0.00 O ATOM 679 CB CYS A 45 7.862 7.963 5.136 1.00 0.00 C ATOM 680 SG CYS A 45 9.083 6.946 6.044 1.00 0.00 S ATOM 0 H CYS A 45 7.131 5.864 3.105 1.00 0.00 H new ATOM 0 HA CYS A 45 6.117 6.900 5.650 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.325 8.398 4.250 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.530 8.792 5.761 1.00 0.00 H new ATOM 0 HG CYS A 45 8.476 5.950 6.619 1.00 0.00 H new ATOM 686 N LEU A 46 5.124 8.891 4.236 1.00 0.00 N ATOM 687 CA LEU A 46 4.222 9.678 3.413 1.00 0.00 C ATOM 688 C LEU A 46 4.818 11.072 3.201 1.00 0.00 C ATOM 689 O LEU A 46 5.176 11.750 4.163 1.00 0.00 O ATOM 690 CB LEU A 46 2.819 9.695 4.021 1.00 0.00 C ATOM 691 CG LEU A 46 1.709 10.258 3.131 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.084 11.642 2.595 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.361 9.283 2.005 1.00 0.00 C ATOM 0 H LEU A 46 5.225 9.223 5.195 1.00 0.00 H new ATOM 0 HA LEU A 46 4.111 9.225 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.553 8.675 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.850 10.278 4.941 1.00 0.00 H new ATOM 0 HG LEU A 46 0.813 10.380 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.278 12.019 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.242 12.325 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.999 11.569 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.570 9.708 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.244 9.106 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.021 8.340 2.433 1.00 0.00 H new ATOM 705 N LEU A 47 4.905 11.457 1.936 1.00 0.00 N ATOM 706 CA LEU A 47 5.451 12.758 1.586 1.00 0.00 C ATOM 707 C LEU A 47 4.477 13.481 0.655 1.00 0.00 C ATOM 708 O LEU A 47 4.027 12.914 -0.340 1.00 0.00 O ATOM 709 CB LEU A 47 6.860 12.609 1.008 1.00 0.00 C ATOM 710 CG LEU A 47 7.745 11.547 1.662 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.517 10.751 0.607 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.676 12.173 2.702 1.00 0.00 C ATOM 0 H LEU A 47 4.607 10.891 1.141 1.00 0.00 H new ATOM 0 HA LEU A 47 5.561 13.378 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.773 12.377 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.366 13.572 1.084 1.00 0.00 H new ATOM 0 HG LEU A 47 7.101 10.843 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.139 10.003 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.813 10.256 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.150 11.427 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.294 11.396 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.316 12.912 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.082 12.658 3.477 1.00 0.00 H new ATOM 724 N TRP A 48 4.179 14.722 1.010 1.00 0.00 N ATOM 725 CA TRP A 48 3.266 15.529 0.219 1.00 0.00 C ATOM 726 C TRP A 48 4.000 16.807 -0.193 1.00 0.00 C ATOM 727 O TRP A 48 4.794 17.346 0.576 1.00 0.00 O ATOM 728 CB TRP A 48 1.971 15.804 0.986 1.00 0.00 C ATOM 729 CG TRP A 48 2.172 16.583 2.287 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.394 17.896 2.436 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.159 16.042 3.624 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.525 18.239 3.766 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.378 17.075 4.512 1.00 0.00 C ATOM 734 CE3 TRP A 48 1.969 14.722 4.070 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.427 16.897 5.900 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.021 14.560 5.459 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.241 15.590 6.366 1.00 0.00 C ATOM 0 H TRP A 48 4.554 15.189 1.836 1.00 0.00 H new ATOM 0 HA TRP A 48 2.962 14.996 -0.682 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.291 16.362 0.342 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.487 14.854 1.214 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.462 18.598 1.618 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.698 19.174 4.134 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.796 13.898 3.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.599 17.723 6.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.880 13.565 5.854 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.268 15.383 7.426 1.00 0.00 H new ATOM 748 N TYR A 49 3.707 17.255 -1.405 1.00 0.00 N ATOM 749 CA TYR A 49 4.329 18.460 -1.928 1.00 0.00 C ATOM 750 C TYR A 49 3.284 19.395 -2.539 1.00 0.00 C ATOM 751 O TYR A 49 2.381 18.947 -3.244 1.00 0.00 O ATOM 752 CB TYR A 49 5.287 17.996 -3.027 1.00 0.00 C ATOM 753 CG TYR A 49 6.027 16.697 -2.702 1.00 0.00 C ATOM 754 CD1 TYR A 49 5.475 15.482 -3.053 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.246 16.741 -2.057 1.00 0.00 C ATOM 756 CE1 TYR A 49 6.171 14.260 -2.746 1.00 0.00 C ATOM 757 CE2 TYR A 49 7.943 15.519 -1.751 1.00 0.00 C ATOM 758 CZ TYR A 49 7.371 14.338 -2.110 1.00 0.00 C ATOM 759 OH TYR A 49 8.029 13.184 -1.820 1.00 0.00 O ATOM 0 H TYR A 49 3.047 16.805 -2.040 1.00 0.00 H new ATOM 0 HA TYR A 49 4.837 19.006 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.725 17.860 -3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.019 18.782 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.521 15.448 -3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.677 17.692 -1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.750 13.302 -3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.898 15.539 -1.248 1.00 0.00 H new ATOM 0 HH TYR A 49 8.872 13.393 -1.367 1.00 0.00 H new ATOM 769 N MET A 50 3.442 20.678 -2.246 1.00 0.00 N ATOM 770 CA MET A 50 2.523 21.681 -2.758 1.00 0.00 C ATOM 771 C MET A 50 2.080 21.342 -4.183 1.00 0.00 C ATOM 772 O MET A 50 0.942 21.612 -4.564 1.00 0.00 O ATOM 773 CB MET A 50 3.205 23.050 -2.747 1.00 0.00 C ATOM 774 CG MET A 50 3.362 23.573 -1.318 1.00 0.00 C ATOM 775 SD MET A 50 2.757 25.249 -1.211 1.00 0.00 S ATOM 776 CE MET A 50 1.006 24.937 -1.053 1.00 0.00 C ATOM 0 H MET A 50 4.192 21.046 -1.661 1.00 0.00 H new ATOM 0 HA MET A 50 1.641 21.699 -2.118 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.184 22.976 -3.221 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.619 23.757 -3.334 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.813 22.935 -0.626 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.410 23.536 -1.022 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.477 25.405 -1.883 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.825 23.862 -1.067 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.646 25.353 -0.112 1.00 0.00 H new ATOM 786 N ASP A 51 3.002 20.755 -4.932 1.00 0.00 N ATOM 787 CA ASP A 51 2.721 20.376 -6.306 1.00 0.00 C ATOM 788 C ASP A 51 3.580 19.168 -6.684 1.00 0.00 C ATOM 789 O ASP A 51 4.613 18.918 -6.064 1.00 0.00 O ATOM 790 CB ASP A 51 3.057 21.516 -7.271 1.00 0.00 C ATOM 791 CG ASP A 51 1.900 22.470 -7.572 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.755 21.972 -7.636 1.00 0.00 O ATOM 793 OD2 ASP A 51 2.186 23.677 -7.731 1.00 0.00 O ATOM 0 H ASP A 51 3.945 20.533 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 51 1.659 20.141 -6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.884 22.092 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.407 21.086 -8.209 1.00 0.00 H new ATOM 798 N ASN A 52 3.121 18.451 -7.699 1.00 0.00 N ATOM 799 CA ASN A 52 3.835 17.274 -8.166 1.00 0.00 C ATOM 800 C ASN A 52 5.338 17.559 -8.159 1.00 0.00 C ATOM 801 O ASN A 52 5.759 18.699 -8.349 1.00 0.00 O ATOM 802 CB ASN A 52 3.429 16.916 -9.597 1.00 0.00 C ATOM 803 CG ASN A 52 2.057 16.240 -9.625 1.00 0.00 C ATOM 804 OD1 ASN A 52 1.933 15.027 -9.574 1.00 0.00 O ATOM 805 ND2 ASN A 52 1.036 17.089 -9.708 1.00 0.00 N ATOM 0 H ASN A 52 2.264 18.662 -8.211 1.00 0.00 H new ATOM 0 HA ASN A 52 3.589 16.445 -7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.407 17.818 -10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.174 16.252 -10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.080 16.736 -9.732 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.210 18.093 -9.747 1.00 0.00 H new ATOM 812 N PRO A 53 6.127 16.475 -7.932 1.00 0.00 N ATOM 813 CA PRO A 53 7.575 16.597 -7.897 1.00 0.00 C ATOM 814 C PRO A 53 8.145 16.759 -9.307 1.00 0.00 C ATOM 815 O PRO A 53 9.279 17.206 -9.475 1.00 0.00 O ATOM 816 CB PRO A 53 8.059 15.335 -7.202 1.00 0.00 C ATOM 817 CG PRO A 53 6.910 14.343 -7.290 1.00 0.00 C ATOM 818 CD PRO A 53 5.664 15.109 -7.702 1.00 0.00 C ATOM 0 HA PRO A 53 7.910 17.485 -7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.953 14.941 -7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.322 15.537 -6.164 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.135 13.561 -8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.756 13.851 -6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.218 14.685 -8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.903 15.075 -6.923 1.00 0.00 H new ATOM 826 N GLN A 54 7.333 16.387 -10.286 1.00 0.00 N ATOM 827 CA GLN A 54 7.743 16.486 -11.677 1.00 0.00 C ATOM 828 C GLN A 54 7.815 17.953 -12.106 1.00 0.00 C ATOM 829 O GLN A 54 8.489 18.287 -13.079 1.00 0.00 O ATOM 830 CB GLN A 54 6.799 15.695 -12.584 1.00 0.00 C ATOM 831 CG GLN A 54 5.451 16.405 -12.724 1.00 0.00 C ATOM 832 CD GLN A 54 5.161 16.747 -14.187 1.00 0.00 C ATOM 833 OE1 GLN A 54 5.931 17.413 -14.860 1.00 0.00 O ATOM 834 NE2 GLN A 54 4.011 16.256 -14.641 1.00 0.00 N ATOM 0 H GLN A 54 6.393 16.017 -10.144 1.00 0.00 H new ATOM 0 HA GLN A 54 8.737 16.050 -11.775 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.253 15.571 -13.567 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.647 14.696 -12.175 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.658 15.768 -12.332 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.452 17.317 -12.127 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.413 15.706 -14.025 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.728 16.429 -15.605 1.00 0.00 H new ATOM 843 N ASN A 55 7.110 18.790 -11.359 1.00 0.00 N ATOM 844 CA ASN A 55 7.085 20.213 -11.650 1.00 0.00 C ATOM 845 C ASN A 55 8.105 20.929 -10.762 1.00 0.00 C ATOM 846 O ASN A 55 8.697 21.927 -11.170 1.00 0.00 O ATOM 847 CB ASN A 55 5.706 20.811 -11.362 1.00 0.00 C ATOM 848 CG ASN A 55 4.914 21.010 -12.655 1.00 0.00 C ATOM 849 OD1 ASN A 55 5.464 21.157 -13.734 1.00 0.00 O ATOM 850 ND2 ASN A 55 3.594 21.006 -12.488 1.00 0.00 N ATOM 0 H ASN A 55 6.552 18.510 -10.553 1.00 0.00 H new ATOM 0 HA ASN A 55 7.322 20.345 -12.706 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.154 20.154 -10.691 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.820 21.767 -10.850 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.978 21.131 -13.291 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.198 20.878 -11.557 1.00 0.00 H new ATOM 857 N LEU A 56 8.279 20.391 -9.563 1.00 0.00 N ATOM 858 CA LEU A 56 9.217 20.966 -8.614 1.00 0.00 C ATOM 859 C LEU A 56 10.630 20.899 -9.196 1.00 0.00 C ATOM 860 O LEU A 56 10.808 20.566 -10.367 1.00 0.00 O ATOM 861 CB LEU A 56 9.081 20.288 -7.249 1.00 0.00 C ATOM 862 CG LEU A 56 7.751 20.500 -6.524 1.00 0.00 C ATOM 863 CD1 LEU A 56 7.876 20.160 -5.038 1.00 0.00 C ATOM 864 CD2 LEU A 56 7.227 21.921 -6.745 1.00 0.00 C ATOM 0 H LEU A 56 7.786 19.563 -9.228 1.00 0.00 H new ATOM 0 HA LEU A 56 8.991 22.019 -8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.233 19.217 -7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.884 20.647 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 56 7.017 19.816 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.916 20.319 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.172 19.117 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.629 20.801 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.280 22.046 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.952 22.640 -6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.075 22.091 -7.811 1.00 0.00 H new ATOM 876 N ALA A 57 11.599 21.221 -8.352 1.00 0.00 N ATOM 877 CA ALA A 57 12.991 21.202 -8.768 1.00 0.00 C ATOM 878 C ALA A 57 13.656 19.925 -8.250 1.00 0.00 C ATOM 879 O ALA A 57 13.319 19.439 -7.171 1.00 0.00 O ATOM 880 CB ALA A 57 13.691 22.468 -8.270 1.00 0.00 C ATOM 0 H ALA A 57 11.448 21.497 -7.382 1.00 0.00 H new ATOM 0 HA ALA A 57 13.066 21.195 -9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.735 22.453 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.199 23.345 -8.690 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.638 22.509 -7.182 1.00 0.00 H new ATOM 886 N VAL A 58 14.590 19.419 -9.042 1.00 0.00 N ATOM 887 CA VAL A 58 15.305 18.208 -8.676 1.00 0.00 C ATOM 888 C VAL A 58 15.729 18.295 -7.208 1.00 0.00 C ATOM 889 O VAL A 58 15.567 17.337 -6.454 1.00 0.00 O ATOM 890 CB VAL A 58 16.484 17.989 -9.627 1.00 0.00 C ATOM 891 CG1 VAL A 58 17.273 19.284 -9.828 1.00 0.00 C ATOM 892 CG2 VAL A 58 17.392 16.866 -9.124 1.00 0.00 C ATOM 0 H VAL A 58 14.868 19.825 -9.935 1.00 0.00 H new ATOM 0 HA VAL A 58 14.657 17.337 -8.776 1.00 0.00 H new ATOM 0 HB VAL A 58 16.083 17.687 -10.595 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.105 19.101 -10.508 1.00 0.00 H new ATOM 0 HG12 VAL A 58 16.619 20.046 -10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.658 19.628 -8.868 1.00 0.00 H new ATOM 0 HG21 VAL A 58 18.222 16.731 -9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 58 17.781 17.126 -8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 58 16.821 15.940 -9.056 1.00 0.00 H new ATOM 902 N GLY A 59 16.264 19.452 -6.848 1.00 0.00 N ATOM 903 CA GLY A 59 16.712 19.677 -5.484 1.00 0.00 C ATOM 904 C GLY A 59 15.559 20.154 -4.599 1.00 0.00 C ATOM 905 O GLY A 59 15.748 21.006 -3.732 1.00 0.00 O ATOM 0 H GLY A 59 16.397 20.244 -7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.129 18.756 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.511 20.419 -5.478 1.00 0.00 H new ATOM 909 N ALA A 60 14.389 19.583 -4.848 1.00 0.00 N ATOM 910 CA ALA A 60 13.205 19.940 -4.085 1.00 0.00 C ATOM 911 C ALA A 60 13.065 18.987 -2.896 1.00 0.00 C ATOM 912 O ALA A 60 13.635 17.897 -2.898 1.00 0.00 O ATOM 913 CB ALA A 60 11.980 19.914 -5.000 1.00 0.00 C ATOM 0 H ALA A 60 14.236 18.876 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 60 13.294 20.952 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.092 20.182 -4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.117 20.628 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.856 18.913 -5.414 1.00 0.00 H new ATOM 919 N GLY A 61 12.303 19.433 -1.908 1.00 0.00 N ATOM 920 CA GLY A 61 12.080 18.634 -0.715 1.00 0.00 C ATOM 921 C GLY A 61 10.596 18.306 -0.544 1.00 0.00 C ATOM 922 O GLY A 61 9.888 18.084 -1.525 1.00 0.00 O ATOM 0 H GLY A 61 11.832 20.338 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.655 17.710 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.440 19.174 0.161 1.00 0.00 H new ATOM 926 N ALA A 62 10.168 18.286 0.710 1.00 0.00 N ATOM 927 CA ALA A 62 8.780 17.989 1.022 1.00 0.00 C ATOM 928 C ALA A 62 8.262 19.006 2.040 1.00 0.00 C ATOM 929 O ALA A 62 8.915 19.270 3.048 1.00 0.00 O ATOM 930 CB ALA A 62 8.667 16.549 1.528 1.00 0.00 C ATOM 0 H ALA A 62 10.758 18.471 1.522 1.00 0.00 H new ATOM 0 HA ALA A 62 8.160 18.071 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.626 16.326 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.020 15.864 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.274 16.430 2.425 1.00 0.00 H new ATOM 936 N VAL A 63 7.091 19.551 1.741 1.00 0.00 N ATOM 937 CA VAL A 63 6.478 20.534 2.618 1.00 0.00 C ATOM 938 C VAL A 63 6.047 19.853 3.918 1.00 0.00 C ATOM 939 O VAL A 63 5.871 20.514 4.941 1.00 0.00 O ATOM 940 CB VAL A 63 5.322 21.230 1.896 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.116 20.297 1.766 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.936 22.530 2.604 1.00 0.00 C ATOM 0 H VAL A 63 6.551 19.330 0.904 1.00 0.00 H new ATOM 0 HA VAL A 63 7.195 21.312 2.881 1.00 0.00 H new ATOM 0 HB VAL A 63 5.659 21.484 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.309 20.816 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.401 19.412 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.779 19.998 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.112 23.004 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.627 22.310 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.793 23.203 2.621 1.00 0.00 H new ATOM 952 N GLY A 64 5.888 18.540 3.837 1.00 0.00 N ATOM 953 CA GLY A 64 5.481 17.763 4.995 1.00 0.00 C ATOM 954 C GLY A 64 5.608 16.263 4.720 1.00 0.00 C ATOM 955 O GLY A 64 5.375 15.811 3.600 1.00 0.00 O ATOM 0 H GLY A 64 6.034 17.995 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.097 18.033 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.450 18.003 5.254 1.00 0.00 H new ATOM 959 N SER A 65 5.977 15.532 5.761 1.00 0.00 N ATOM 960 CA SER A 65 6.138 14.092 5.646 1.00 0.00 C ATOM 961 C SER A 65 5.413 13.391 6.797 1.00 0.00 C ATOM 962 O SER A 65 5.045 14.028 7.783 1.00 0.00 O ATOM 963 CB SER A 65 7.617 13.702 5.635 1.00 0.00 C ATOM 964 OG SER A 65 8.226 13.879 6.911 1.00 0.00 O ATOM 0 H SER A 65 6.169 15.910 6.689 1.00 0.00 H new ATOM 0 HA SER A 65 5.699 13.773 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.715 12.661 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.145 14.303 4.895 1.00 0.00 H new ATOM 0 HG SER A 65 9.169 13.617 6.862 1.00 0.00 H new ATOM 970 N LEU A 66 5.230 12.089 6.633 1.00 0.00 N ATOM 971 CA LEU A 66 4.556 11.295 7.646 1.00 0.00 C ATOM 972 C LEU A 66 5.067 9.855 7.582 1.00 0.00 C ATOM 973 O LEU A 66 4.639 9.077 6.731 1.00 0.00 O ATOM 974 CB LEU A 66 3.038 11.416 7.500 1.00 0.00 C ATOM 975 CG LEU A 66 2.304 12.096 8.657 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.809 12.227 8.358 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.562 11.364 9.976 1.00 0.00 C ATOM 0 H LEU A 66 5.537 11.564 5.814 1.00 0.00 H new ATOM 0 HA LEU A 66 4.788 11.672 8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.824 11.969 6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.625 10.416 7.372 1.00 0.00 H new ATOM 0 HG LEU A 66 2.700 13.106 8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.311 12.714 9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.669 12.824 7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.380 11.236 8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.029 11.868 10.782 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.211 10.335 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.631 11.367 10.191 1.00 0.00 H new ATOM 989 N GLN A 67 5.976 9.542 8.495 1.00 0.00 N ATOM 990 CA GLN A 67 6.550 8.208 8.552 1.00 0.00 C ATOM 991 C GLN A 67 5.460 7.173 8.840 1.00 0.00 C ATOM 992 O GLN A 67 4.629 7.372 9.725 1.00 0.00 O ATOM 993 CB GLN A 67 7.665 8.136 9.598 1.00 0.00 C ATOM 994 CG GLN A 67 8.909 8.891 9.126 1.00 0.00 C ATOM 995 CD GLN A 67 8.684 10.404 9.177 1.00 0.00 C ATOM 996 OE1 GLN A 67 7.727 10.896 9.752 1.00 0.00 O ATOM 997 NE2 GLN A 67 9.618 11.111 8.546 1.00 0.00 N ATOM 0 H GLN A 67 6.329 10.189 9.200 1.00 0.00 H new ATOM 0 HA GLN A 67 6.991 7.981 7.582 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.314 8.559 10.539 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.919 7.094 9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.760 8.625 9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.157 8.591 8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.393 10.635 8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.559 12.129 8.524 1.00 0.00 H new ATOM 1006 N LEU A 68 5.500 6.091 8.077 1.00 0.00 N ATOM 1007 CA LEU A 68 4.527 5.025 8.239 1.00 0.00 C ATOM 1008 C LEU A 68 4.721 4.366 9.606 1.00 0.00 C ATOM 1009 O LEU A 68 3.770 3.849 10.191 1.00 0.00 O ATOM 1010 CB LEU A 68 4.607 4.044 7.067 1.00 0.00 C ATOM 1011 CG LEU A 68 4.201 4.598 5.700 1.00 0.00 C ATOM 1012 CD1 LEU A 68 3.981 3.467 4.694 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.976 5.507 5.818 1.00 0.00 C ATOM 0 H LEU A 68 6.191 5.930 7.345 1.00 0.00 H new ATOM 0 HA LEU A 68 3.514 5.428 8.220 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.630 3.674 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.973 3.187 7.293 1.00 0.00 H new ATOM 0 HG LEU A 68 5.020 5.210 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.693 3.888 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.903 2.897 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.190 2.809 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.709 5.887 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.140 4.940 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.205 6.343 6.479 1.00 0.00 H new ATOM 1025 N THR A 69 5.959 4.408 10.077 1.00 0.00 N ATOM 1026 CA THR A 69 6.289 3.822 11.365 1.00 0.00 C ATOM 1027 C THR A 69 5.331 4.330 12.444 1.00 0.00 C ATOM 1028 O THR A 69 5.141 3.676 13.469 1.00 0.00 O ATOM 1029 CB THR A 69 7.758 4.132 11.662 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.963 3.616 12.975 1.00 0.00 O ATOM 1031 CG2 THR A 69 8.023 5.632 11.806 1.00 0.00 C ATOM 0 H THR A 69 6.745 4.839 9.590 1.00 0.00 H new ATOM 0 HA THR A 69 6.166 2.739 11.350 1.00 0.00 H new ATOM 0 HB THR A 69 8.382 3.728 10.865 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.891 3.773 13.247 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.080 5.796 12.016 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.754 6.140 10.880 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.424 6.030 12.625 1.00 0.00 H new ATOM 1039 N TYR A 70 4.752 5.491 12.177 1.00 0.00 N ATOM 1040 CA TYR A 70 3.818 6.094 13.113 1.00 0.00 C ATOM 1041 C TYR A 70 2.399 5.569 12.886 1.00 0.00 C ATOM 1042 O TYR A 70 1.802 4.975 13.783 1.00 0.00 O ATOM 1043 CB TYR A 70 3.844 7.597 12.825 1.00 0.00 C ATOM 1044 CG TYR A 70 5.178 8.270 13.155 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.833 7.965 14.331 1.00 0.00 C ATOM 1046 CD2 TYR A 70 5.726 9.183 12.276 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.088 8.599 14.641 1.00 0.00 C ATOM 1048 CE2 TYR A 70 6.981 9.817 12.587 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.600 9.493 13.754 1.00 0.00 C ATOM 1050 OH TYR A 70 8.786 10.092 14.047 1.00 0.00 O ATOM 0 H TYR A 70 4.911 6.030 11.326 1.00 0.00 H new ATOM 0 HA TYR A 70 4.098 5.860 14.140 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.618 7.759 11.771 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.053 8.080 13.398 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.404 7.251 15.019 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.214 9.422 11.356 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.611 8.369 15.558 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.421 10.533 11.909 1.00 0.00 H new ATOM 0 HH TYR A 70 9.030 10.706 13.323 1.00 0.00 H new ATOM 1060 N ILE A 71 1.899 5.806 11.682 1.00 0.00 N ATOM 1061 CA ILE A 71 0.562 5.363 11.326 1.00 0.00 C ATOM 1062 C ILE A 71 0.326 3.961 11.891 1.00 0.00 C ATOM 1063 O ILE A 71 1.232 3.129 11.893 1.00 0.00 O ATOM 1064 CB ILE A 71 0.349 5.462 9.814 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.357 6.920 9.353 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -0.928 4.733 9.391 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.616 7.233 8.542 1.00 0.00 C ATOM 0 H ILE A 71 2.396 6.299 10.941 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.187 6.017 11.773 1.00 0.00 H new ATOM 0 HB ILE A 71 1.183 4.964 9.319 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.528 7.119 8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.305 7.579 10.220 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.056 4.819 8.312 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.854 3.681 9.665 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.786 5.179 9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.596 8.276 8.227 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.498 7.057 9.157 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.652 6.589 7.663 1.00 0.00 H new ATOM 1079 N SER A 72 -0.895 3.743 12.355 1.00 0.00 N ATOM 1080 CA SER A 72 -1.262 2.456 12.921 1.00 0.00 C ATOM 1081 C SER A 72 -2.468 1.880 12.176 1.00 0.00 C ATOM 1082 O SER A 72 -2.518 0.683 11.900 1.00 0.00 O ATOM 1083 CB SER A 72 -1.570 2.578 14.415 1.00 0.00 C ATOM 1084 OG SER A 72 -1.667 1.304 15.046 1.00 0.00 O ATOM 0 H SER A 72 -1.643 4.436 12.351 1.00 0.00 H new ATOM 0 HA SER A 72 -0.415 1.779 12.806 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.789 3.164 14.899 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.505 3.121 14.549 1.00 0.00 H new ATOM 0 HG SER A 72 -1.863 1.425 15.999 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.410 2.761 11.872 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.612 2.356 11.164 1.00 0.00 C ATOM 1092 C LYS A 73 -5.171 3.552 10.389 1.00 0.00 C ATOM 1093 O LYS A 73 -5.017 4.696 10.813 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.617 1.726 12.131 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.049 1.885 11.615 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.285 1.018 10.377 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.321 -0.071 10.660 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.073 -1.257 9.809 1.00 0.00 N ATOM 0 H LYS A 73 -3.365 3.753 12.103 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.380 1.582 10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.389 0.668 12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.526 2.194 13.111 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.754 1.607 12.398 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.238 2.931 11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.625 1.642 9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.346 0.560 10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.280 -0.356 11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.323 0.315 10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.785 -1.986 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.135 -0.985 8.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.124 -1.634 10.007 1.00 0.00 H new ATOM 1112 N VAL A 74 -5.807 3.245 9.268 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.389 4.281 8.431 1.00 0.00 C ATOM 1114 C VAL A 74 -7.863 3.959 8.181 1.00 0.00 C ATOM 1115 O VAL A 74 -8.188 3.158 7.305 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.580 4.425 7.140 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.098 5.593 6.298 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.089 4.585 7.442 1.00 0.00 C ATOM 0 H VAL A 74 -5.932 2.294 8.920 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.348 5.247 8.934 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.707 3.511 6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.507 5.674 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.143 5.420 6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.014 6.518 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.537 4.685 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.935 5.475 8.052 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.731 3.709 7.982 1.00 0.00 H new ATOM 1128 N SER A 75 -8.717 4.600 8.965 1.00 0.00 N ATOM 1129 CA SER A 75 -10.150 4.392 8.839 1.00 0.00 C ATOM 1130 C SER A 75 -10.829 5.686 8.385 1.00 0.00 C ATOM 1131 O SER A 75 -10.231 6.759 8.448 1.00 0.00 O ATOM 1132 CB SER A 75 -10.755 3.910 10.159 1.00 0.00 C ATOM 1133 OG SER A 75 -12.166 3.732 10.066 1.00 0.00 O ATOM 0 H SER A 75 -8.444 5.264 9.690 1.00 0.00 H new ATOM 0 HA SER A 75 -10.318 3.619 8.090 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.289 2.968 10.449 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.532 4.631 10.945 1.00 0.00 H new ATOM 0 HG SER A 75 -12.514 3.422 10.928 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.067 5.541 7.938 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.834 6.685 7.474 1.00 0.00 C ATOM 1141 C ILE A 76 -13.336 7.481 8.680 1.00 0.00 C ATOM 1142 O ILE A 76 -13.924 6.915 9.600 1.00 0.00 O ATOM 1143 CB ILE A 76 -13.948 6.235 6.527 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.395 5.344 5.413 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.715 7.437 5.972 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.195 6.003 4.729 1.00 0.00 C ATOM 0 H ILE A 76 -12.559 4.649 7.887 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.203 7.355 6.890 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.658 5.635 7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.098 4.380 5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.175 5.149 4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.501 7.089 5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.161 7.996 6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.030 8.084 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.821 5.349 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.501 6.955 4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.407 6.175 5.462 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.085 8.781 8.637 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.504 9.660 9.716 1.00 0.00 C ATOM 1160 C ALA A 77 -15.024 9.578 9.874 1.00 0.00 C ATOM 1161 O ALA A 77 -15.714 9.052 9.002 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.024 11.084 9.430 1.00 0.00 C ATOM 0 H ALA A 77 -12.597 9.247 7.872 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.057 9.349 10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.338 11.743 10.239 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.937 11.093 9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.455 11.431 8.491 1.00 0.00 H new ATOM 1168 N THR A 78 -15.500 10.105 10.992 1.00 0.00 N ATOM 1169 CA THR A 78 -16.925 10.098 11.275 1.00 0.00 C ATOM 1170 C THR A 78 -17.408 11.508 11.620 1.00 0.00 C ATOM 1171 O THR A 78 -16.600 12.422 11.780 1.00 0.00 O ATOM 1172 CB THR A 78 -17.181 9.078 12.387 1.00 0.00 C ATOM 1173 OG1 THR A 78 -17.035 9.831 13.588 1.00 0.00 O ATOM 1174 CG2 THR A 78 -16.080 8.019 12.475 1.00 0.00 C ATOM 0 H THR A 78 -14.924 10.540 11.713 1.00 0.00 H new ATOM 0 HA THR A 78 -17.501 9.797 10.400 1.00 0.00 H new ATOM 0 HB THR A 78 -18.141 8.590 12.218 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.186 9.247 14.361 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.310 7.321 13.279 1.00 0.00 H new ATOM 0 HG22 THR A 78 -16.019 7.478 11.531 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.125 8.503 12.677 1.00 0.00 H new ATOM 1182 N PRO A 79 -18.756 11.644 11.728 1.00 0.00 N ATOM 1183 CA PRO A 79 -19.356 12.927 12.052 1.00 0.00 C ATOM 1184 C PRO A 79 -19.169 13.261 13.533 1.00 0.00 C ATOM 1185 O PRO A 79 -19.532 14.349 13.978 1.00 0.00 O ATOM 1186 CB PRO A 79 -20.816 12.791 11.653 1.00 0.00 C ATOM 1187 CG PRO A 79 -21.084 11.297 11.556 1.00 0.00 C ATOM 1188 CD PRO A 79 -19.743 10.583 11.545 1.00 0.00 C ATOM 0 HA PRO A 79 -18.888 13.756 11.521 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -21.468 13.258 12.392 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -21.008 13.285 10.701 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -21.688 10.962 12.399 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -21.646 11.068 10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.682 9.843 12.343 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.585 10.053 10.606 1.00 0.00 H new ATOM 1196 N LYS A 80 -18.604 12.306 14.256 1.00 0.00 N ATOM 1197 CA LYS A 80 -18.365 12.485 15.678 1.00 0.00 C ATOM 1198 C LYS A 80 -16.990 13.125 15.882 1.00 0.00 C ATOM 1199 O LYS A 80 -16.651 13.533 16.992 1.00 0.00 O ATOM 1200 CB LYS A 80 -18.544 11.161 16.423 1.00 0.00 C ATOM 1201 CG LYS A 80 -19.721 11.235 17.398 1.00 0.00 C ATOM 1202 CD LYS A 80 -19.415 10.467 18.685 1.00 0.00 C ATOM 1203 CE LYS A 80 -20.315 10.937 19.830 1.00 0.00 C ATOM 1204 NZ LYS A 80 -20.588 9.823 20.765 1.00 0.00 N ATOM 0 H LYS A 80 -18.304 11.405 13.884 1.00 0.00 H new ATOM 0 HA LYS A 80 -19.101 13.166 16.106 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -18.710 10.356 15.707 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.631 10.920 16.967 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -19.937 12.277 17.635 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -20.614 10.823 16.928 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.559 9.399 18.519 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.369 10.609 18.958 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.836 11.758 20.363 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -21.253 11.321 19.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.200 10.159 21.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -21.064 9.051 20.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.692 9.475 21.161 1.00 0.00 H new ATOM 1218 N GLN A 81 -16.236 13.191 14.795 1.00 0.00 N ATOM 1219 CA GLN A 81 -14.905 13.774 14.842 1.00 0.00 C ATOM 1220 C GLN A 81 -14.844 15.026 13.965 1.00 0.00 C ATOM 1221 O GLN A 81 -14.596 16.124 14.462 1.00 0.00 O ATOM 1222 CB GLN A 81 -13.846 12.755 14.418 1.00 0.00 C ATOM 1223 CG GLN A 81 -13.391 11.909 15.609 1.00 0.00 C ATOM 1224 CD GLN A 81 -12.277 10.942 15.201 1.00 0.00 C ATOM 1225 OE1 GLN A 81 -11.119 11.305 15.080 1.00 0.00 O ATOM 1226 NE2 GLN A 81 -12.691 9.695 14.998 1.00 0.00 N ATOM 0 H GLN A 81 -16.521 12.851 13.877 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.691 14.064 15.871 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.251 12.107 13.640 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.989 13.273 13.987 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.037 12.560 16.408 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.237 11.348 16.006 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.676 9.459 15.117 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.023 8.974 14.723 1.00 0.00 H new ATOM 1235 N LYS A 82 -15.073 14.820 12.677 1.00 0.00 N ATOM 1236 CA LYS A 82 -15.047 15.919 11.726 1.00 0.00 C ATOM 1237 C LYS A 82 -16.128 15.697 10.667 1.00 0.00 C ATOM 1238 O LYS A 82 -15.850 15.166 9.593 1.00 0.00 O ATOM 1239 CB LYS A 82 -13.642 16.090 11.145 1.00 0.00 C ATOM 1240 CG LYS A 82 -12.881 17.203 11.868 1.00 0.00 C ATOM 1241 CD LYS A 82 -13.345 18.582 11.394 1.00 0.00 C ATOM 1242 CE LYS A 82 -12.193 19.355 10.748 1.00 0.00 C ATOM 1243 NZ LYS A 82 -12.686 20.166 9.613 1.00 0.00 N ATOM 0 H LYS A 82 -15.278 13.908 12.269 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.278 16.860 12.224 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.092 15.153 11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.710 16.322 10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.034 17.114 12.944 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.812 17.093 11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.159 18.470 10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.739 19.147 12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.722 20.002 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.430 18.659 10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.972 20.879 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.863 19.548 8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.570 20.643 9.885 1.00 0.00 H new ATOM 1257 N PRO A 83 -17.371 16.126 11.015 1.00 0.00 N ATOM 1258 CA PRO A 83 -18.495 15.980 10.107 1.00 0.00 C ATOM 1259 C PRO A 83 -18.421 17.006 8.973 1.00 0.00 C ATOM 1260 O PRO A 83 -17.508 17.829 8.935 1.00 0.00 O ATOM 1261 CB PRO A 83 -19.729 16.147 10.978 1.00 0.00 C ATOM 1262 CG PRO A 83 -19.254 16.838 12.246 1.00 0.00 C ATOM 1263 CD PRO A 83 -17.737 16.760 12.279 1.00 0.00 C ATOM 0 HA PRO A 83 -18.506 15.013 9.604 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.488 16.742 10.470 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.180 15.181 11.205 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -19.583 17.877 12.261 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.680 16.356 13.126 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.291 17.751 12.369 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.389 16.176 13.131 1.00 0.00 H new ATOM 1271 N LYS A 84 -19.394 16.922 8.078 1.00 0.00 N ATOM 1272 CA LYS A 84 -19.451 17.833 6.947 1.00 0.00 C ATOM 1273 C LYS A 84 -18.518 17.328 5.845 1.00 0.00 C ATOM 1274 O LYS A 84 -18.469 17.900 4.757 1.00 0.00 O ATOM 1275 CB LYS A 84 -19.153 19.265 7.397 1.00 0.00 C ATOM 1276 CG LYS A 84 -19.838 19.575 8.729 1.00 0.00 C ATOM 1277 CD LYS A 84 -20.420 20.990 8.730 1.00 0.00 C ATOM 1278 CE LYS A 84 -19.470 21.972 9.418 1.00 0.00 C ATOM 1279 NZ LYS A 84 -18.693 22.732 8.413 1.00 0.00 N ATOM 0 H LYS A 84 -20.149 16.237 8.113 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.457 17.858 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.076 19.402 7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -19.494 19.967 6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.632 18.851 8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.121 19.472 9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -20.603 21.313 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.383 20.991 9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -20.039 22.660 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.792 21.430 10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.053 23.394 8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.135 22.072 7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.344 23.265 7.801 1.00 0.00 H new ATOM 1293 N THR A 85 -17.801 16.260 6.163 1.00 0.00 N ATOM 1294 CA THR A 85 -16.872 15.672 5.213 1.00 0.00 C ATOM 1295 C THR A 85 -17.341 14.274 4.805 1.00 0.00 C ATOM 1296 O THR A 85 -17.413 13.371 5.638 1.00 0.00 O ATOM 1297 CB THR A 85 -15.479 15.684 5.845 1.00 0.00 C ATOM 1298 OG1 THR A 85 -15.666 15.063 7.113 1.00 0.00 O ATOM 1299 CG2 THR A 85 -15.004 17.098 6.189 1.00 0.00 C ATOM 0 H THR A 85 -17.845 15.787 7.065 1.00 0.00 H new ATOM 0 HA THR A 85 -16.831 16.250 4.290 1.00 0.00 H new ATOM 0 HB THR A 85 -14.768 15.218 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 85 -15.533 15.724 7.824 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.010 17.050 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 85 -14.966 17.700 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.697 17.553 6.897 1.00 0.00 H new ATOM 1307 N PRO A 86 -17.657 14.135 3.489 1.00 0.00 N ATOM 1308 CA PRO A 86 -18.117 12.863 2.960 1.00 0.00 C ATOM 1309 C PRO A 86 -16.957 11.874 2.822 1.00 0.00 C ATOM 1310 O PRO A 86 -16.854 10.921 3.593 1.00 0.00 O ATOM 1311 CB PRO A 86 -18.770 13.203 1.630 1.00 0.00 C ATOM 1312 CG PRO A 86 -18.243 14.576 1.246 1.00 0.00 C ATOM 1313 CD PRO A 86 -17.584 15.182 2.474 1.00 0.00 C ATOM 0 HA PRO A 86 -18.826 12.365 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -18.519 12.462 0.871 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -19.856 13.213 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.526 14.495 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -19.055 15.212 0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.551 15.465 2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -18.103 16.084 2.798 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.114 12.136 1.834 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.965 11.281 1.585 1.00 0.00 C ATOM 1323 C PHE A 87 -13.731 11.790 2.332 1.00 0.00 C ATOM 1324 O PHE A 87 -12.824 12.357 1.726 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.691 11.327 0.081 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.931 11.613 -0.769 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.855 10.636 -0.974 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.109 12.843 -1.320 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.006 10.901 -1.762 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.260 13.108 -2.109 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.184 12.131 -2.314 1.00 0.00 C ATOM 0 H PHE A 87 -16.203 12.927 1.197 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.173 10.268 1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.942 12.093 -0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.262 10.374 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.713 9.658 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.375 13.619 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.740 10.126 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.402 14.085 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.059 12.332 -2.915 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.737 11.569 3.639 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.629 11.998 4.475 1.00 0.00 C ATOM 1343 C CYS A 88 -12.184 10.809 5.330 1.00 0.00 C ATOM 1344 O CYS A 88 -13.015 10.110 5.907 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.002 13.209 5.332 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.276 14.729 4.617 1.00 0.00 S ATOM 0 H CYS A 88 -14.491 11.099 4.139 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.800 12.323 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.086 13.305 5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.642 13.069 6.351 1.00 0.00 H new ATOM 0 HG CYS A 88 -10.983 14.693 4.744 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.874 10.618 5.384 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.309 9.526 6.159 1.00 0.00 C ATOM 1354 C PHE A 89 -9.364 10.053 7.241 1.00 0.00 C ATOM 1355 O PHE A 89 -8.677 11.053 7.037 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.514 8.652 5.186 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.274 9.335 4.607 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.123 9.383 5.330 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.322 9.895 3.368 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -5.972 10.017 4.792 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.171 10.529 2.831 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.020 10.577 3.554 1.00 0.00 C ATOM 0 H PHE A 89 -10.188 11.201 4.904 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.105 8.967 6.651 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.208 7.741 5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.167 8.352 4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.084 8.939 6.314 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.236 9.857 2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.058 10.054 5.366 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.209 10.974 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.145 11.060 3.145 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.361 9.357 8.368 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.512 9.743 9.483 1.00 0.00 C ATOM 1374 C VAL A 90 -7.365 8.739 9.616 1.00 0.00 C ATOM 1375 O VAL A 90 -7.598 7.535 9.719 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.348 9.869 10.758 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.477 9.696 12.004 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.097 11.202 10.794 1.00 0.00 C ATOM 0 H VAL A 90 -9.932 8.528 8.533 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.068 10.722 9.304 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.089 9.069 10.753 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.096 9.790 12.896 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.011 8.711 11.988 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.703 10.464 12.016 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.683 11.265 11.711 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.380 12.023 10.764 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.762 11.269 9.933 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.152 9.271 9.611 1.00 0.00 N ATOM 1389 CA ILE A 91 -4.968 8.436 9.730 1.00 0.00 C ATOM 1390 C ILE A 91 -4.647 8.223 11.211 1.00 0.00 C ATOM 1391 O ILE A 91 -4.139 9.126 11.875 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.810 9.032 8.929 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -3.944 8.699 7.441 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.462 8.584 9.497 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -2.870 9.416 6.620 1.00 0.00 C ATOM 0 H ILE A 91 -5.963 10.270 9.526 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.150 7.452 9.298 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.854 10.117 9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.859 7.622 7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -4.933 8.991 7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.656 9.022 8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.376 8.913 10.533 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.393 7.497 9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.988 9.162 5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.973 10.494 6.748 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.883 9.104 6.960 1.00 0.00 H new ATOM 1407 N ASN A 92 -4.955 7.025 11.684 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.705 6.682 13.074 1.00 0.00 C ATOM 1409 C ASN A 92 -3.220 6.362 13.257 1.00 0.00 C ATOM 1410 O ASN A 92 -2.692 5.456 12.613 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.509 5.449 13.491 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.377 5.748 14.714 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.911 6.219 15.739 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.663 5.449 14.551 1.00 0.00 N ATOM 0 H ASN A 92 -5.376 6.279 11.130 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.003 7.531 13.689 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.140 5.125 12.663 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.830 4.626 13.715 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.325 5.612 15.310 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.987 5.057 13.667 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.587 7.124 14.137 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.173 6.933 14.413 1.00 0.00 C ATOM 1423 C ALA A 93 -0.974 6.731 15.916 1.00 0.00 C ATOM 1424 O ALA A 93 -1.858 6.218 16.600 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.382 8.127 13.875 1.00 0.00 C ATOM 0 H ALA A 93 -3.027 7.875 14.668 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.800 6.041 13.909 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.679 7.984 14.082 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.534 8.209 12.799 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.726 9.040 14.360 1.00 0.00 H new ATOM 1431 N LEU A 94 0.194 7.145 16.387 1.00 0.00 N ATOM 1432 CA LEU A 94 0.521 7.016 17.797 1.00 0.00 C ATOM 1433 C LEU A 94 -0.717 7.342 18.635 1.00 0.00 C ATOM 1434 O LEU A 94 -1.384 6.440 19.140 1.00 0.00 O ATOM 1435 CB LEU A 94 1.741 7.871 18.144 1.00 0.00 C ATOM 1436 CG LEU A 94 2.828 7.956 17.070 1.00 0.00 C ATOM 1437 CD1 LEU A 94 2.975 6.624 16.332 1.00 0.00 C ATOM 1438 CD2 LEU A 94 2.560 9.117 16.111 1.00 0.00 C ATOM 0 H LEU A 94 0.925 7.570 15.817 1.00 0.00 H new ATOM 0 HA LEU A 94 0.803 5.989 18.030 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.400 8.882 18.368 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.189 7.476 19.056 1.00 0.00 H new ATOM 0 HG LEU A 94 3.780 8.158 17.562 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.754 6.712 15.574 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.246 5.843 17.042 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.030 6.367 15.853 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.347 9.156 15.358 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.597 8.971 15.623 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.545 10.054 16.669 1.00 0.00 H new ATOM 1450 N SER A 95 -0.987 8.633 18.756 1.00 0.00 N ATOM 1451 CA SER A 95 -2.133 9.089 19.524 1.00 0.00 C ATOM 1452 C SER A 95 -2.694 10.375 18.914 1.00 0.00 C ATOM 1453 O SER A 95 -3.170 11.252 19.634 1.00 0.00 O ATOM 1454 CB SER A 95 -1.759 9.316 20.990 1.00 0.00 C ATOM 1455 OG SER A 95 -1.969 8.150 21.782 1.00 0.00 O ATOM 0 H SER A 95 -0.432 9.378 18.335 1.00 0.00 H new ATOM 0 HA SER A 95 -2.898 8.314 19.488 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.713 9.615 21.055 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.351 10.138 21.392 1.00 0.00 H new ATOM 0 HG SER A 95 -1.841 7.351 21.229 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.618 10.448 17.594 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.111 11.613 16.879 1.00 0.00 C ATOM 1463 C GLN A 96 -4.031 11.183 15.734 1.00 0.00 C ATOM 1464 O GLN A 96 -3.972 10.040 15.282 1.00 0.00 O ATOM 1465 CB GLN A 96 -1.954 12.469 16.360 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.433 13.440 15.279 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.279 14.309 14.773 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.112 13.996 14.941 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.669 15.415 14.146 1.00 0.00 N ATOM 0 H GLN A 96 -2.222 9.719 17.000 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.688 12.224 17.574 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.511 13.027 17.185 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.173 11.825 15.955 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.864 12.881 14.448 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.223 14.075 15.680 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.663 15.617 14.040 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.974 16.061 13.772 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.859 12.121 15.298 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.789 11.853 14.215 1.00 0.00 C ATOM 1480 C ARG A 97 -5.690 12.945 13.147 1.00 0.00 C ATOM 1481 O ARG A 97 -6.069 14.090 13.388 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.228 11.782 14.730 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.707 13.154 15.209 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.871 13.015 16.193 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.537 13.686 17.470 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.423 13.925 18.446 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -10.701 13.551 18.299 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -9.030 14.540 19.571 1.00 0.00 N ATOM 0 H ARG A 97 -4.905 13.068 15.675 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.523 10.890 13.780 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.884 11.420 13.938 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.290 11.065 15.549 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.883 13.684 15.687 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.019 13.754 14.354 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.773 13.454 15.767 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.084 11.961 16.371 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.573 13.985 17.616 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.000 13.084 17.443 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.375 13.734 19.043 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.057 14.825 19.683 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.704 14.722 20.315 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.178 12.552 11.990 1.00 0.00 N ATOM 1503 CA TYR A 98 -5.024 13.483 10.886 1.00 0.00 C ATOM 1504 C TYR A 98 -6.266 13.485 9.993 1.00 0.00 C ATOM 1505 O TYR A 98 -6.686 12.437 9.504 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.828 12.980 10.074 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.489 13.092 10.805 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.228 12.287 11.895 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.541 13.998 10.373 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.967 12.392 12.582 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.281 14.103 11.061 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.056 13.295 12.132 1.00 0.00 C ATOM 1513 OH TYR A 98 1.135 13.395 12.781 1.00 0.00 O ATOM 0 H TYR A 98 -4.865 11.601 11.793 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.881 14.498 11.257 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.997 11.937 9.805 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.771 13.544 9.143 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.970 11.578 12.233 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.745 14.628 9.519 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.750 11.767 13.436 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.469 14.808 10.734 1.00 0.00 H new ATOM 0 HH TYR A 98 0.987 13.744 13.685 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.821 14.674 9.807 1.00 0.00 N ATOM 1524 CA PHE A 99 -8.007 14.826 8.982 1.00 0.00 C ATOM 1525 C PHE A 99 -7.637 15.289 7.571 1.00 0.00 C ATOM 1526 O PHE A 99 -7.282 16.448 7.367 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.878 15.895 9.644 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.555 15.433 10.937 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.076 14.180 11.021 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.635 16.276 12.001 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.704 13.751 12.221 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.263 15.848 13.200 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.784 14.594 13.285 1.00 0.00 C ATOM 0 H PHE A 99 -6.471 15.541 10.214 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.527 13.872 8.898 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.262 16.768 9.860 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.645 16.213 8.938 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.012 13.511 10.176 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.221 17.271 11.934 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.118 12.756 12.288 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.327 16.518 14.045 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.261 14.268 14.197 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.734 14.358 6.633 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.415 14.655 5.247 1.00 0.00 C ATOM 1545 C LEU A 100 -8.681 14.526 4.398 1.00 0.00 C ATOM 1546 O LEU A 100 -9.604 13.799 4.760 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.258 13.779 4.764 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.022 13.742 5.665 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.167 12.675 6.752 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.748 13.551 4.841 1.00 0.00 C ATOM 0 H LEU A 100 -8.029 13.397 6.806 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.068 15.684 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.626 12.760 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.953 14.126 3.777 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.938 14.705 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.275 12.670 7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.040 12.897 7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.290 11.697 6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.885 13.528 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.808 12.612 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.642 14.377 4.137 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.683 15.243 3.284 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.820 15.218 2.380 1.00 0.00 C ATOM 1564 C GLN A 101 -9.368 14.840 0.968 1.00 0.00 C ATOM 1565 O GLN A 101 -8.291 15.241 0.529 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.550 16.563 2.379 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.893 16.458 1.653 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.359 17.829 1.161 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -11.788 18.421 0.259 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.425 18.300 1.802 1.00 0.00 N ATOM 0 H GLN A 101 -7.915 15.845 2.987 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.521 14.461 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.712 16.893 3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.929 17.317 1.895 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.801 15.776 0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.641 16.035 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.855 17.753 2.548 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.813 19.208 1.548 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.213 14.071 0.296 1.00 0.00 N ATOM 1580 CA ALA A 102 -9.913 13.634 -1.057 1.00 0.00 C ATOM 1581 C ALA A 102 -10.658 14.525 -2.052 1.00 0.00 C ATOM 1582 O ALA A 102 -11.186 15.572 -1.680 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.280 12.157 -1.209 1.00 0.00 C ATOM 0 H ALA A 102 -11.105 13.740 0.663 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.847 13.728 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.055 11.829 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.703 11.564 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.344 12.024 -1.012 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.677 14.078 -3.299 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.349 14.821 -4.352 1.00 0.00 C ATOM 1591 C ASN A 103 -12.717 14.193 -4.621 1.00 0.00 C ATOM 1592 O ASN A 103 -13.700 14.903 -4.830 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.546 14.781 -5.653 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.685 16.036 -5.806 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.067 17.010 -6.434 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.505 15.960 -5.198 1.00 0.00 N ATOM 0 H ASN A 103 -10.237 13.210 -3.604 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.450 15.855 -4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.910 13.896 -5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.225 14.696 -6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.858 16.747 -5.241 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.247 15.115 -4.689 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.738 12.868 -4.607 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.970 12.136 -4.847 1.00 0.00 C ATOM 1605 C ASP A 104 -14.077 10.985 -3.845 1.00 0.00 C ATOM 1606 O ASP A 104 -13.356 10.955 -2.849 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.991 11.540 -6.256 1.00 0.00 C ATOM 1608 CG ASP A 104 -12.815 11.945 -7.147 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -12.616 13.169 -7.302 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -12.142 11.021 -7.652 1.00 0.00 O ATOM 0 H ASP A 104 -11.921 12.282 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.802 12.831 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -14.008 10.453 -6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.918 11.837 -6.746 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.984 10.066 -4.143 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.195 8.915 -3.281 1.00 0.00 C ATOM 1617 C GLN A 105 -14.147 7.838 -3.568 1.00 0.00 C ATOM 1618 O GLN A 105 -13.818 7.038 -2.692 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.611 8.360 -3.445 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.693 6.914 -2.953 1.00 0.00 C ATOM 1621 CD GLN A 105 -18.105 6.352 -3.135 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.999 6.578 -2.337 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.254 5.608 -4.228 1.00 0.00 N ATOM 0 H GLN A 105 -15.581 10.095 -4.969 1.00 0.00 H new ATOM 0 HA GLN A 105 -15.084 9.236 -2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.315 8.978 -2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.905 8.409 -4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.979 6.299 -3.501 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.412 6.868 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.463 5.458 -4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.159 5.187 -4.439 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.652 7.851 -4.797 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.649 6.884 -5.209 1.00 0.00 C ATOM 1634 C LYS A 106 -11.312 7.231 -4.550 1.00 0.00 C ATOM 1635 O LYS A 106 -10.825 6.488 -3.699 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.579 6.803 -6.736 1.00 0.00 C ATOM 1637 CG LYS A 106 -13.799 6.075 -7.302 1.00 0.00 C ATOM 1638 CD LYS A 106 -13.502 5.507 -8.692 1.00 0.00 C ATOM 1639 CE LYS A 106 -13.110 4.031 -8.609 1.00 0.00 C ATOM 1640 NZ LYS A 106 -13.245 3.383 -9.933 1.00 0.00 N ATOM 0 H LYS A 106 -13.927 8.516 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.922 5.884 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.524 7.808 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.669 6.282 -7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.090 5.268 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.643 6.762 -7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.379 5.619 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.696 6.075 -9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.082 3.941 -8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.742 3.521 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.975 2.381 -9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.232 3.453 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.623 3.859 -10.618 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.756 8.358 -4.969 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.486 8.812 -4.430 1.00 0.00 C ATOM 1656 C ASP A 107 -9.488 8.632 -2.910 1.00 0.00 C ATOM 1657 O ASP A 107 -8.440 8.403 -2.307 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.258 10.295 -4.730 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.940 10.616 -5.438 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -7.367 9.673 -6.025 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.537 11.798 -5.377 1.00 0.00 O ATOM 0 H ASP A 107 -11.162 8.971 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.694 8.224 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -10.081 10.656 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.294 10.850 -3.792 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.676 8.741 -2.335 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.829 8.593 -0.898 1.00 0.00 C ATOM 1668 C LEU A 108 -10.500 7.153 -0.500 1.00 0.00 C ATOM 1669 O LEU A 108 -9.502 6.904 0.175 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.220 9.051 -0.457 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.554 8.852 1.024 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.219 7.494 1.259 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.310 9.040 1.895 1.00 0.00 C ATOM 0 H LEU A 108 -11.543 8.930 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.125 9.238 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.324 10.110 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.962 8.517 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.273 9.617 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.446 7.378 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.142 7.436 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.544 6.699 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.574 8.893 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.551 8.313 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.918 10.048 1.757 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.357 6.242 -0.936 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.170 4.833 -0.634 1.00 0.00 C ATOM 1687 C LYS A 109 -9.746 4.420 -1.009 1.00 0.00 C ATOM 1688 O LYS A 109 -9.035 3.825 -0.201 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.254 3.991 -1.311 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.497 3.883 -0.426 1.00 0.00 C ATOM 1691 CD LYS A 109 -14.634 4.750 -0.969 1.00 0.00 C ATOM 1692 CE LYS A 109 -15.968 4.375 -0.320 1.00 0.00 C ATOM 1693 NZ LYS A 109 -16.626 3.288 -1.079 1.00 0.00 N ATOM 0 H LYS A 109 -12.183 6.452 -1.496 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.282 4.654 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.522 4.439 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.866 2.995 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.821 2.844 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.252 4.193 0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.416 5.801 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.704 4.628 -2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.802 4.059 0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.620 5.248 -0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.530 3.046 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.802 3.603 -2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.009 2.451 -1.091 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.372 4.752 -2.236 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.045 4.423 -2.729 1.00 0.00 C ATOM 1709 C ASP A 110 -7.004 4.817 -1.680 1.00 0.00 C ATOM 1710 O ASP A 110 -6.308 3.959 -1.138 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.731 5.187 -4.017 1.00 0.00 C ATOM 1712 CG ASP A 110 -6.943 4.395 -5.063 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -6.520 3.270 -4.722 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -6.783 4.933 -6.179 1.00 0.00 O ATOM 0 H ASP A 110 -9.965 5.245 -2.904 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.015 3.352 -2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.669 5.517 -4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.167 6.084 -3.761 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.929 6.115 -1.424 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.984 6.632 -0.449 1.00 0.00 C ATOM 1721 C TRP A 111 -6.059 5.748 0.797 1.00 0.00 C ATOM 1722 O TRP A 111 -5.065 5.142 1.193 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.256 8.108 -0.152 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.416 9.076 -0.988 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.837 9.940 -1.922 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.984 9.246 -0.926 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.786 10.650 -2.465 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.624 10.215 -1.840 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.026 8.602 -0.124 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.300 10.627 -2.038 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.708 9.025 -0.334 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.328 9.999 -1.250 1.00 0.00 C ATOM 0 H TRP A 111 -7.507 6.824 -1.875 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.967 6.596 -0.840 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.312 8.315 -0.327 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.065 8.297 0.904 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.870 10.065 -2.213 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.850 11.363 -3.192 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.286 7.841 0.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.043 11.388 -2.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.932 8.562 0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.288 10.270 -1.353 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.248 5.703 1.381 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.465 4.903 2.575 1.00 0.00 C ATOM 1745 C VAL A 112 -6.847 3.518 2.374 1.00 0.00 C ATOM 1746 O VAL A 112 -5.906 3.146 3.075 1.00 0.00 O ATOM 1747 CB VAL A 112 -8.958 4.850 2.904 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.220 3.957 4.118 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.521 6.255 3.126 1.00 0.00 C ATOM 0 H VAL A 112 -8.070 6.207 1.050 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.972 5.357 3.435 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.474 4.414 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.289 3.937 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.872 2.946 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.686 4.352 4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.584 6.189 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.997 6.730 3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.383 6.849 2.222 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.401 2.791 1.415 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.916 1.455 1.114 1.00 0.00 C ATOM 1761 C GLU A 113 -5.391 1.458 0.993 1.00 0.00 C ATOM 1762 O GLU A 113 -4.716 0.616 1.583 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.566 0.910 -0.159 1.00 0.00 C ATOM 1764 CG GLU A 113 -9.091 1.004 -0.080 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.739 -0.355 -0.355 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.188 -1.085 -1.207 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.771 -0.633 0.294 1.00 0.00 O ATOM 0 H GLU A 113 -8.181 3.102 0.836 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.194 0.795 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.208 1.470 -1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.269 -0.128 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.386 1.359 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.452 1.736 -0.803 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.893 2.415 0.224 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.460 2.539 0.017 1.00 0.00 C ATOM 1776 C ALA A 114 -2.769 2.725 1.370 1.00 0.00 C ATOM 1777 O ALA A 114 -1.764 2.074 1.652 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.180 3.696 -0.944 1.00 0.00 C ATOM 0 H ALA A 114 -5.456 3.112 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.058 1.634 -0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.105 3.788 -1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.669 3.502 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.566 4.623 -0.520 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.334 3.618 2.169 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.785 3.898 3.485 1.00 0.00 C ATOM 1786 C LEU A 115 -2.986 2.678 4.387 1.00 0.00 C ATOM 1787 O LEU A 115 -2.357 2.568 5.438 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.382 5.187 4.052 1.00 0.00 C ATOM 1789 CG LEU A 115 -3.086 6.466 3.265 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.106 7.558 3.591 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.649 6.934 3.500 1.00 0.00 C ATOM 0 H LEU A 115 -4.166 4.157 1.931 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.711 4.074 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.463 5.066 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.015 5.317 5.070 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.182 6.244 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.873 8.456 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.106 7.211 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.067 7.786 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.465 7.844 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.501 7.135 4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.956 6.157 3.177 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.867 1.793 3.944 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.159 0.586 4.698 1.00 0.00 C ATOM 1805 C ASN A 116 -3.218 -0.533 4.247 1.00 0.00 C ATOM 1806 O ASN A 116 -3.039 -1.522 4.956 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.596 0.120 4.456 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.393 0.101 5.762 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.497 -0.907 6.442 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -6.949 1.269 6.074 1.00 0.00 N ATOM 0 H ASN A 116 -4.388 1.888 3.072 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.025 0.809 5.756 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.081 0.783 3.739 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.590 -0.877 4.015 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.502 1.359 6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -6.823 2.074 5.461 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.641 -0.339 3.070 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.722 -1.319 2.516 1.00 0.00 C ATOM 1819 C GLN A 117 -0.286 -0.994 2.932 1.00 0.00 C ATOM 1820 O GLN A 117 0.523 -1.898 3.141 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.850 -1.390 0.993 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.243 -1.870 0.581 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.154 -3.089 -0.338 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.115 -3.712 -0.487 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -4.298 -3.394 -0.945 1.00 0.00 N ATOM 0 H GLN A 117 -2.792 0.482 2.485 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.982 -2.299 2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.658 -0.407 0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.095 -2.067 0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.822 -2.122 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.773 -1.065 0.072 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -5.131 -2.830 -0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.342 -4.191 -1.580 1.00 0.00 H new ATOM 1834 N ALA A 118 -0.012 0.298 3.039 1.00 0.00 N ATOM 1835 CA ALA A 118 1.313 0.752 3.425 1.00 0.00 C ATOM 1836 C ALA A 118 1.498 0.549 4.930 1.00 0.00 C ATOM 1837 O ALA A 118 2.625 0.491 5.418 1.00 0.00 O ATOM 1838 CB ALA A 118 1.493 2.213 3.007 1.00 0.00 C ATOM 0 H ALA A 118 -0.685 1.045 2.865 1.00 0.00 H new ATOM 0 HA ALA A 118 2.082 0.170 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.487 2.554 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.380 2.299 1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.740 2.828 3.500 1.00 0.00 H new ATOM 1844 N SER A 119 0.374 0.447 5.624 1.00 0.00 N ATOM 1845 CA SER A 119 0.398 0.252 7.063 1.00 0.00 C ATOM 1846 C SER A 119 0.253 -1.236 7.392 1.00 0.00 C ATOM 1847 O SER A 119 0.508 -1.653 8.521 1.00 0.00 O ATOM 1848 CB SER A 119 -0.710 1.056 7.747 1.00 0.00 C ATOM 1849 OG SER A 119 -1.969 0.887 7.101 1.00 0.00 O ATOM 0 H SER A 119 -0.560 0.496 5.216 1.00 0.00 H new ATOM 0 HA SER A 119 1.356 0.610 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.793 0.746 8.789 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.443 2.113 7.749 1.00 0.00 H new ATOM 0 HG SER A 119 -2.252 1.739 6.708 1.00 0.00 H new ATOM 1855 N LYS A 120 -0.154 -1.995 6.386 1.00 0.00 N ATOM 1856 CA LYS A 120 -0.335 -3.427 6.554 1.00 0.00 C ATOM 1857 C LYS A 120 -0.887 -3.706 7.953 1.00 0.00 C ATOM 1858 O LYS A 120 -0.134 -4.045 8.865 1.00 0.00 O ATOM 1859 CB LYS A 120 0.966 -4.171 6.246 1.00 0.00 C ATOM 1860 CG LYS A 120 2.006 -3.228 5.638 1.00 0.00 C ATOM 1861 CD LYS A 120 2.795 -2.504 6.730 1.00 0.00 C ATOM 1862 CE LYS A 120 4.212 -3.068 6.849 1.00 0.00 C ATOM 1863 NZ LYS A 120 4.963 -2.363 7.912 1.00 0.00 N ATOM 0 H LYS A 120 -0.364 -1.645 5.451 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.068 -3.805 5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 120 1.361 -4.613 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 120 0.766 -4.991 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 120 2.690 -3.794 5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 120 1.510 -2.498 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 120 2.842 -1.439 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 120 2.278 -2.605 7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.168 -4.134 7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 120 4.733 -2.963 5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 5.923 -2.758 7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 5.021 -1.350 7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 4.474 -2.485 8.822 1.00 0.00 H new ATOM 1877 N SER A 121 -2.197 -3.552 8.079 1.00 0.00 N ATOM 1878 CA SER A 121 -2.858 -3.784 9.352 1.00 0.00 C ATOM 1879 C SER A 121 -3.292 -5.247 9.458 1.00 0.00 C ATOM 1880 O SER A 121 -4.164 -5.583 10.258 1.00 0.00 O ATOM 1881 CB SER A 121 -4.065 -2.859 9.522 1.00 0.00 C ATOM 1882 OG SER A 121 -4.410 -2.677 10.892 1.00 0.00 O ATOM 0 H SER A 121 -2.818 -3.270 7.321 1.00 0.00 H new ATOM 0 HA SER A 121 -2.149 -3.563 10.150 1.00 0.00 H new ATOM 0 HB2 SER A 121 -3.846 -1.891 9.072 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.918 -3.274 8.986 1.00 0.00 H new ATOM 0 HG SER A 121 -4.508 -3.551 11.324 1.00 0.00 H new ATOM 1888 N GLY A 122 -2.663 -6.078 8.640 1.00 0.00 N ATOM 1889 CA GLY A 122 -2.973 -7.498 8.632 1.00 0.00 C ATOM 1890 C GLY A 122 -2.041 -8.257 7.686 1.00 0.00 C ATOM 1891 O GLY A 122 -1.118 -7.675 7.118 1.00 0.00 O ATOM 0 H GLY A 122 -1.940 -5.795 7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.879 -7.900 9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -4.008 -7.646 8.325 1.00 0.00 H new ATOM 1895 N PRO A 123 -2.322 -9.580 7.541 1.00 0.00 N ATOM 1896 CA PRO A 123 -1.520 -10.425 6.673 1.00 0.00 C ATOM 1897 C PRO A 123 -1.841 -10.160 5.201 1.00 0.00 C ATOM 1898 O PRO A 123 -2.167 -11.084 4.457 1.00 0.00 O ATOM 1899 CB PRO A 123 -1.838 -11.847 7.104 1.00 0.00 C ATOM 1900 CG PRO A 123 -3.146 -11.766 7.875 1.00 0.00 C ATOM 1901 CD PRO A 123 -3.406 -10.303 8.198 1.00 0.00 C ATOM 0 HA PRO A 123 -0.452 -10.226 6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.934 -12.505 6.240 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -1.042 -12.254 7.727 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -3.964 -12.178 7.284 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -3.087 -12.355 8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.379 -9.982 7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -3.403 -10.129 9.274 1.00 0.00 H new ATOM 1909 N SER A 124 -1.738 -8.894 4.824 1.00 0.00 N ATOM 1910 CA SER A 124 -2.014 -8.497 3.454 1.00 0.00 C ATOM 1911 C SER A 124 -0.882 -8.963 2.536 1.00 0.00 C ATOM 1912 O SER A 124 0.293 -8.824 2.873 1.00 0.00 O ATOM 1913 CB SER A 124 -2.194 -6.981 3.346 1.00 0.00 C ATOM 1914 OG SER A 124 -0.970 -6.282 3.554 1.00 0.00 O ATOM 0 H SER A 124 -1.467 -8.130 5.443 1.00 0.00 H new ATOM 0 HA SER A 124 -2.945 -8.970 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 124 -2.591 -6.732 2.362 1.00 0.00 H new ATOM 0 HB3 SER A 124 -2.930 -6.650 4.079 1.00 0.00 H new ATOM 0 HG SER A 124 -1.126 -5.318 3.475 1.00 0.00 H new ATOM 1920 N SER A 125 -1.276 -9.507 1.393 1.00 0.00 N ATOM 1921 CA SER A 125 -0.309 -9.995 0.424 1.00 0.00 C ATOM 1922 C SER A 125 -1.011 -10.323 -0.895 1.00 0.00 C ATOM 1923 O SER A 125 -2.231 -10.478 -0.932 1.00 0.00 O ATOM 1924 CB SER A 125 0.428 -11.226 0.954 1.00 0.00 C ATOM 1925 OG SER A 125 1.535 -10.872 1.778 1.00 0.00 O ATOM 0 H SER A 125 -2.251 -9.620 1.117 1.00 0.00 H new ATOM 0 HA SER A 125 0.428 -9.211 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.264 -11.846 1.524 1.00 0.00 H new ATOM 0 HB3 SER A 125 0.778 -11.828 0.115 1.00 0.00 H new ATOM 0 HG SER A 125 1.238 -10.252 2.476 1.00 0.00 H new ATOM 1931 N GLY A 126 -0.210 -10.419 -1.946 1.00 0.00 N ATOM 1932 CA GLY A 126 -0.740 -10.726 -3.264 1.00 0.00 C ATOM 1933 C GLY A 126 -1.451 -12.080 -3.268 1.00 0.00 C ATOM 1934 O GLY A 126 -2.080 -12.457 -2.281 1.00 0.00 O ATOM 0 H GLY A 126 0.801 -10.290 -1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -1.436 -9.945 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 126 0.071 -10.735 -3.993 1.00 0.00 H new TER 1938 GLY A 126