USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 ASN : amide:sc= -4.72! C(o=-4.7!,f=-11!) USER MOD Single : A 12 HIS : no HD1:sc= -0.298 K(o=-0.3,f=-1.4) USER MOD Single : A 14 TYR OH : rot -113:sc= -1.99! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -21:sc= -6! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 161:sc= -2.29! USER MOD Single : A 44 SER OG : rot 80:sc= -2.68! USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0587 USER MOD Single : A 57 ASN : amide:sc= -0.61 X(o=-0.61,f=-0.35) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0476 K(o=-0.048,f=-0.66) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.604 X(o=-0.6,f=-0.66) USER MOD Single : A 92 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.219) USER MOD Single : A 95 GLN : amide:sc= -0.308 K(o=-0.31,f=-3.3!) USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= -0.667 (180deg=-1.83!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -1.36 K(o=-1.4,f=0.49) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 6.378 -4.745 2.245 1.00 0.88 N ATOM 45 CA VAL A 4 7.760 -5.258 2.472 1.00 0.68 C ATOM 46 C VAL A 4 7.924 -6.658 1.861 1.00 1.24 C ATOM 47 O VAL A 4 7.040 -7.184 1.214 1.00 3.19 O ATOM 48 CB VAL A 4 8.030 -5.329 3.973 1.00 1.84 C ATOM 49 CG1 VAL A 4 8.298 -3.924 4.509 1.00 0.62 C ATOM 50 CG2 VAL A 4 6.804 -5.919 4.670 1.00 4.00 C ATOM 0 HA VAL A 4 8.469 -4.581 1.994 1.00 0.68 H new ATOM 0 HB VAL A 4 8.900 -5.957 4.164 1.00 1.84 H new ATOM 0 HG11 VAL A 4 8.491 -3.974 5.581 1.00 0.62 H new ATOM 0 HG12 VAL A 4 9.166 -3.501 4.003 1.00 0.62 H new ATOM 0 HG13 VAL A 4 7.428 -3.293 4.326 1.00 0.62 H new ATOM 0 HG21 VAL A 4 6.987 -5.974 5.743 1.00 4.00 H new ATOM 0 HG22 VAL A 4 5.938 -5.285 4.482 1.00 4.00 H new ATOM 0 HG23 VAL A 4 6.612 -6.920 4.283 1.00 4.00 H new ATOM 60 N LEU A 5 9.072 -7.250 2.050 1.00 1.08 N ATOM 61 CA LEU A 5 9.349 -8.594 1.476 1.00 1.04 C ATOM 62 C LEU A 5 8.911 -9.711 2.433 1.00 0.97 C ATOM 63 O LEU A 5 8.303 -9.469 3.456 1.00 0.93 O ATOM 64 CB LEU A 5 10.853 -8.699 1.237 1.00 1.61 C ATOM 65 CG LEU A 5 11.376 -7.397 0.627 1.00 1.87 C ATOM 66 CD1 LEU A 5 10.297 -6.730 -0.231 1.00 3.59 C ATOM 67 CD2 LEU A 5 11.815 -6.434 1.738 1.00 2.04 C ATOM 0 H LEU A 5 9.841 -6.850 2.587 1.00 1.08 H new ATOM 0 HA LEU A 5 8.790 -8.710 0.548 1.00 1.04 H new ATOM 0 HB2 LEU A 5 11.366 -8.902 2.177 1.00 1.61 H new ATOM 0 HB3 LEU A 5 11.067 -9.535 0.570 1.00 1.61 H new ATOM 0 HG LEU A 5 12.231 -7.636 -0.006 1.00 1.87 H new ATOM 0 HD11 LEU A 5 10.689 -5.806 -0.655 1.00 3.59 H new ATOM 0 HD12 LEU A 5 10.005 -7.404 -1.036 1.00 3.59 H new ATOM 0 HD13 LEU A 5 9.428 -6.505 0.387 1.00 3.59 H new ATOM 0 HD21 LEU A 5 12.186 -5.510 1.293 1.00 2.04 H new ATOM 0 HD22 LEU A 5 10.965 -6.211 2.383 1.00 2.04 H new ATOM 0 HD23 LEU A 5 12.607 -6.896 2.328 1.00 2.04 H new ATOM 79 N GLU A 6 9.215 -10.941 2.088 1.00 1.01 N ATOM 80 CA GLU A 6 8.822 -12.098 2.949 1.00 0.97 C ATOM 81 C GLU A 6 9.971 -13.120 3.026 1.00 0.89 C ATOM 82 O GLU A 6 10.759 -13.253 2.111 1.00 0.97 O ATOM 83 CB GLU A 6 7.587 -12.772 2.356 1.00 1.14 C ATOM 84 CG GLU A 6 6.365 -12.426 3.203 1.00 3.50 C ATOM 85 CD GLU A 6 5.620 -13.709 3.572 1.00 4.28 C ATOM 86 OE1 GLU A 6 5.890 -14.726 2.954 1.00 4.72 O ATOM 87 OE2 GLU A 6 4.793 -13.655 4.467 1.00 4.54 O ATOM 0 H GLU A 6 9.723 -11.192 1.240 1.00 1.01 H new ATOM 0 HA GLU A 6 8.602 -11.734 3.953 1.00 0.97 H new ATOM 0 HB2 GLU A 6 7.437 -12.441 1.328 1.00 1.14 H new ATOM 0 HB3 GLU A 6 7.728 -13.852 2.325 1.00 1.14 H new ATOM 0 HG2 GLU A 6 6.673 -11.899 4.106 1.00 3.50 H new ATOM 0 HG3 GLU A 6 5.705 -11.756 2.652 1.00 3.50 H new ATOM 94 N ASN A 7 10.058 -13.842 4.117 1.00 0.82 N ATOM 95 CA ASN A 7 11.136 -14.866 4.287 1.00 0.76 C ATOM 96 C ASN A 7 10.853 -16.065 3.388 1.00 0.67 C ATOM 97 O ASN A 7 10.320 -17.072 3.814 1.00 0.70 O ATOM 98 CB ASN A 7 11.178 -15.336 5.743 1.00 0.92 C ATOM 99 CG ASN A 7 9.816 -15.905 6.144 1.00 0.98 C ATOM 100 OD1 ASN A 7 8.827 -15.203 6.157 1.00 1.03 O ATOM 101 ND2 ASN A 7 9.726 -17.162 6.477 1.00 1.01 N ATOM 0 H ASN A 7 9.419 -13.764 4.908 1.00 0.82 H new ATOM 0 HA ASN A 7 12.093 -14.420 4.017 1.00 0.76 H new ATOM 0 HB2 ASN A 7 11.950 -16.095 5.867 1.00 0.92 H new ATOM 0 HB3 ASN A 7 11.441 -14.504 6.396 1.00 0.92 H new ATOM 0 HD21 ASN A 7 8.824 -17.554 6.748 1.00 1.01 H new ATOM 0 HD22 ASN A 7 10.557 -17.753 6.466 1.00 1.01 H new ATOM 108 N ARG A 8 11.201 -15.955 2.147 1.00 0.58 N ATOM 109 CA ARG A 8 10.954 -17.073 1.191 1.00 0.51 C ATOM 110 C ARG A 8 11.958 -18.211 1.392 1.00 0.57 C ATOM 111 O ARG A 8 11.626 -19.365 1.262 1.00 0.59 O ATOM 112 CB ARG A 8 11.107 -16.561 -0.242 1.00 0.42 C ATOM 113 CG ARG A 8 11.040 -17.750 -1.205 1.00 0.38 C ATOM 114 CD ARG A 8 9.860 -17.568 -2.162 1.00 0.60 C ATOM 115 NE ARG A 8 10.000 -16.277 -2.894 1.00 1.54 N ATOM 116 CZ ARG A 8 9.608 -16.187 -4.135 1.00 1.43 C ATOM 117 NH1 ARG A 8 8.333 -16.153 -4.418 1.00 1.41 N ATOM 118 NH2 ARG A 8 10.489 -16.127 -5.097 1.00 2.17 N ATOM 0 H ARG A 8 11.651 -15.134 1.743 1.00 0.58 H new ATOM 0 HA ARG A 8 9.946 -17.446 1.371 1.00 0.51 H new ATOM 0 HB2 ARG A 8 10.318 -15.845 -0.472 1.00 0.42 H new ATOM 0 HB3 ARG A 8 12.056 -16.037 -0.356 1.00 0.42 H new ATOM 0 HG2 ARG A 8 11.970 -17.828 -1.768 1.00 0.38 H new ATOM 0 HG3 ARG A 8 10.928 -18.679 -0.645 1.00 0.38 H new ATOM 0 HD2 ARG A 8 9.823 -18.396 -2.870 1.00 0.60 H new ATOM 0 HD3 ARG A 8 8.923 -17.582 -1.606 1.00 0.60 H new ATOM 0 HE ARG A 8 10.402 -15.465 -2.425 1.00 1.54 H new ATOM 0 HH11 ARG A 8 7.643 -16.197 -3.668 1.00 1.41 H new ATOM 0 HH12 ARG A 8 8.028 -16.083 -5.389 1.00 1.41 H new ATOM 0 HH21 ARG A 8 11.485 -16.151 -4.879 1.00 2.17 H new ATOM 0 HH22 ARG A 8 10.181 -16.057 -6.067 1.00 2.17 H new ATOM 132 N ARG A 9 13.194 -17.900 1.643 1.00 0.60 N ATOM 133 CA ARG A 9 14.223 -18.977 1.768 1.00 0.65 C ATOM 134 C ARG A 9 13.967 -19.926 2.948 1.00 0.59 C ATOM 135 O ARG A 9 14.217 -21.105 2.839 1.00 0.62 O ATOM 136 CB ARG A 9 15.603 -18.335 1.936 1.00 0.70 C ATOM 137 CG ARG A 9 16.508 -19.258 2.753 1.00 1.05 C ATOM 138 CD ARG A 9 17.909 -18.649 2.848 1.00 0.88 C ATOM 139 NE ARG A 9 18.562 -18.693 1.509 1.00 0.73 N ATOM 140 CZ ARG A 9 19.820 -19.023 1.407 1.00 0.97 C ATOM 141 NH1 ARG A 9 20.162 -20.280 1.325 1.00 1.55 N ATOM 142 NH2 ARG A 9 20.738 -18.096 1.385 1.00 1.55 N ATOM 0 H ARG A 9 13.542 -16.949 1.768 1.00 0.60 H new ATOM 0 HA ARG A 9 14.170 -19.575 0.858 1.00 0.65 H new ATOM 0 HB2 ARG A 9 16.048 -18.146 0.959 1.00 0.70 H new ATOM 0 HB3 ARG A 9 15.507 -17.370 2.434 1.00 0.70 H new ATOM 0 HG2 ARG A 9 16.094 -19.400 3.751 1.00 1.05 H new ATOM 0 HG3 ARG A 9 16.559 -20.241 2.286 1.00 1.05 H new ATOM 0 HD2 ARG A 9 17.846 -17.619 3.200 1.00 0.88 H new ATOM 0 HD3 ARG A 9 18.508 -19.199 3.575 1.00 0.88 H new ATOM 0 HE ARG A 9 18.025 -18.465 0.672 1.00 0.73 H new ATOM 0 HH11 ARG A 9 19.445 -21.006 1.341 1.00 1.55 H new ATOM 0 HH12 ARG A 9 21.146 -20.537 1.245 1.00 1.55 H new ATOM 0 HH21 ARG A 9 20.472 -17.113 1.448 1.00 1.55 H new ATOM 0 HH22 ARG A 9 21.722 -18.354 1.305 1.00 1.55 H new ATOM 156 N ALA A 10 13.526 -19.445 4.075 1.00 0.52 N ATOM 157 CA ALA A 10 13.319 -20.364 5.229 1.00 0.49 C ATOM 158 C ALA A 10 11.914 -20.946 5.228 1.00 0.44 C ATOM 159 O ALA A 10 11.727 -22.128 5.439 1.00 0.48 O ATOM 160 CB ALA A 10 13.562 -19.611 6.539 1.00 0.44 C ATOM 0 H ALA A 10 13.301 -18.465 4.248 1.00 0.52 H new ATOM 0 HA ALA A 10 14.028 -21.187 5.138 1.00 0.49 H new ATOM 0 HB1 ALA A 10 13.410 -20.287 7.381 1.00 0.44 H new ATOM 0 HB2 ALA A 10 14.584 -19.233 6.557 1.00 0.44 H new ATOM 0 HB3 ALA A 10 12.865 -18.776 6.613 1.00 0.44 H new ATOM 166 N ARG A 11 10.921 -20.149 4.991 1.00 0.38 N ATOM 167 CA ARG A 11 9.548 -20.705 4.983 1.00 0.35 C ATOM 168 C ARG A 11 9.408 -21.599 3.759 1.00 0.41 C ATOM 169 O ARG A 11 8.647 -22.545 3.746 1.00 0.42 O ATOM 170 CB ARG A 11 8.527 -19.565 4.913 1.00 0.30 C ATOM 171 CG ARG A 11 7.256 -20.049 4.207 1.00 1.24 C ATOM 172 CD ARG A 11 6.160 -18.988 4.341 1.00 1.26 C ATOM 173 NE ARG A 11 5.098 -19.234 3.323 1.00 1.64 N ATOM 174 CZ ARG A 11 4.063 -19.968 3.627 1.00 1.97 C ATOM 175 NH1 ARG A 11 3.097 -19.467 4.346 1.00 3.10 N ATOM 176 NH2 ARG A 11 3.993 -21.203 3.210 1.00 1.94 N ATOM 0 H ARG A 11 10.996 -19.149 4.804 1.00 0.38 H new ATOM 0 HA ARG A 11 9.367 -21.278 5.892 1.00 0.35 H new ATOM 0 HB2 ARG A 11 8.286 -19.218 5.918 1.00 0.30 H new ATOM 0 HB3 ARG A 11 8.952 -18.717 4.376 1.00 0.30 H new ATOM 0 HG2 ARG A 11 7.463 -20.242 3.154 1.00 1.24 H new ATOM 0 HG3 ARG A 11 6.921 -20.990 4.643 1.00 1.24 H new ATOM 0 HD2 ARG A 11 5.731 -19.018 5.343 1.00 1.26 H new ATOM 0 HD3 ARG A 11 6.584 -17.993 4.205 1.00 1.26 H new ATOM 0 HE ARG A 11 5.181 -18.829 2.391 1.00 1.64 H new ATOM 0 HH11 ARG A 11 3.151 -18.501 4.671 1.00 3.10 H new ATOM 0 HH12 ARG A 11 2.288 -20.041 4.584 1.00 3.10 H new ATOM 0 HH21 ARG A 11 4.748 -21.595 2.646 1.00 1.94 H new ATOM 0 HH22 ARG A 11 3.184 -21.777 3.448 1.00 1.94 H new ATOM 190 N HIS A 12 10.143 -21.298 2.725 1.00 0.47 N ATOM 191 CA HIS A 12 10.057 -22.123 1.491 1.00 0.55 C ATOM 192 C HIS A 12 11.137 -23.203 1.461 1.00 0.62 C ATOM 193 O HIS A 12 10.903 -24.314 1.027 1.00 0.68 O ATOM 194 CB HIS A 12 10.237 -21.225 0.267 1.00 0.61 C ATOM 195 CG HIS A 12 9.648 -21.901 -0.941 1.00 0.68 C ATOM 196 ND1 HIS A 12 9.100 -23.172 -0.882 1.00 2.76 N ATOM 197 CD2 HIS A 12 9.512 -21.493 -2.245 1.00 1.41 C ATOM 198 CE1 HIS A 12 8.667 -23.485 -2.117 1.00 2.22 C ATOM 199 NE2 HIS A 12 8.893 -22.496 -2.986 1.00 0.55 N ATOM 0 H HIS A 12 10.798 -20.517 2.682 1.00 0.47 H new ATOM 0 HA HIS A 12 9.079 -22.605 1.480 1.00 0.55 H new ATOM 0 HB2 HIS A 12 9.750 -20.264 0.433 1.00 0.61 H new ATOM 0 HB3 HIS A 12 11.295 -21.022 0.104 1.00 0.61 H new ATOM 0 HD2 HIS A 12 9.836 -20.540 -2.636 1.00 1.41 H new ATOM 0 HE1 HIS A 12 8.194 -24.421 -2.374 1.00 2.22 H new ATOM 0 HE2 HIS A 12 8.662 -22.479 -3.979 1.00 0.55 H new ATOM 207 N ASP A 13 12.343 -22.860 1.824 1.00 0.62 N ATOM 208 CA ASP A 13 13.447 -23.852 1.702 1.00 0.69 C ATOM 209 C ASP A 13 14.083 -24.312 3.026 1.00 0.59 C ATOM 210 O ASP A 13 14.619 -25.401 3.070 1.00 0.55 O ATOM 211 CB ASP A 13 14.537 -23.249 0.816 1.00 0.79 C ATOM 212 CG ASP A 13 14.543 -23.961 -0.539 1.00 1.10 C ATOM 213 OD1 ASP A 13 14.727 -25.167 -0.552 1.00 1.13 O ATOM 214 OD2 ASP A 13 14.361 -23.289 -1.541 1.00 1.51 O ATOM 0 H ASP A 13 12.609 -21.948 2.195 1.00 0.62 H new ATOM 0 HA ASP A 13 12.995 -24.747 1.276 1.00 0.69 H new ATOM 0 HB2 ASP A 13 14.360 -22.182 0.678 1.00 0.79 H new ATOM 0 HB3 ASP A 13 15.510 -23.351 1.297 1.00 0.79 H new ATOM 219 N TYR A 14 14.131 -23.539 4.086 1.00 0.56 N ATOM 220 CA TYR A 14 14.865 -24.103 5.270 1.00 0.46 C ATOM 221 C TYR A 14 14.251 -23.757 6.650 1.00 0.39 C ATOM 222 O TYR A 14 13.586 -22.755 6.831 1.00 0.39 O ATOM 223 CB TYR A 14 16.324 -23.610 5.219 1.00 0.42 C ATOM 224 CG TYR A 14 17.122 -24.450 6.172 1.00 0.32 C ATOM 225 CD1 TYR A 14 17.188 -24.046 7.492 1.00 0.29 C ATOM 226 CD2 TYR A 14 17.712 -25.668 5.777 1.00 0.29 C ATOM 227 CE1 TYR A 14 17.851 -24.840 8.435 1.00 0.18 C ATOM 228 CE2 TYR A 14 18.350 -26.472 6.723 1.00 0.22 C ATOM 229 CZ TYR A 14 18.421 -26.057 8.052 1.00 0.15 C ATOM 230 OH TYR A 14 19.025 -26.873 8.988 1.00 0.07 O ATOM 0 H TYR A 14 13.727 -22.608 4.187 1.00 0.56 H new ATOM 0 HA TYR A 14 14.792 -25.187 5.188 1.00 0.46 H new ATOM 0 HB2 TYR A 14 16.722 -23.696 4.208 1.00 0.42 H new ATOM 0 HB3 TYR A 14 16.382 -22.557 5.496 1.00 0.42 H new ATOM 0 HD1 TYR A 14 16.728 -23.117 7.796 1.00 0.29 H new ATOM 0 HD2 TYR A 14 17.670 -25.979 4.743 1.00 0.29 H new ATOM 0 HE1 TYR A 14 17.922 -24.511 9.461 1.00 0.18 H new ATOM 0 HE2 TYR A 14 18.788 -27.414 6.426 1.00 0.22 H new ATOM 0 HH TYR A 14 19.988 -26.915 8.812 1.00 0.07 H new ATOM 240 N GLU A 15 14.532 -24.610 7.632 1.00 0.33 N ATOM 241 CA GLU A 15 14.049 -24.411 9.047 1.00 0.27 C ATOM 242 C GLU A 15 15.020 -23.455 9.732 1.00 0.20 C ATOM 243 O GLU A 15 16.191 -23.595 9.632 1.00 0.19 O ATOM 244 CB GLU A 15 14.103 -25.745 9.785 1.00 0.26 C ATOM 245 CG GLU A 15 13.972 -25.488 11.285 1.00 0.21 C ATOM 246 CD GLU A 15 13.536 -26.771 11.994 1.00 0.31 C ATOM 247 OE1 GLU A 15 14.364 -27.652 12.146 1.00 0.39 O ATOM 248 OE2 GLU A 15 12.378 -26.849 12.372 1.00 0.35 O ATOM 0 H GLU A 15 15.090 -25.454 7.500 1.00 0.33 H new ATOM 0 HA GLU A 15 13.031 -24.022 9.052 1.00 0.27 H new ATOM 0 HB2 GLU A 15 13.300 -26.397 9.443 1.00 0.26 H new ATOM 0 HB3 GLU A 15 15.042 -26.256 9.571 1.00 0.26 H new ATOM 0 HG2 GLU A 15 14.924 -25.144 11.689 1.00 0.21 H new ATOM 0 HG3 GLU A 15 13.245 -24.697 11.466 1.00 0.21 H new ATOM 255 N ILE A 16 14.598 -22.447 10.381 1.00 0.18 N ATOM 256 CA ILE A 16 15.639 -21.529 10.902 1.00 0.15 C ATOM 257 C ILE A 16 16.198 -21.853 12.303 1.00 0.14 C ATOM 258 O ILE A 16 15.506 -21.941 13.298 1.00 0.19 O ATOM 259 CB ILE A 16 15.103 -20.124 10.773 1.00 0.16 C ATOM 260 CG1 ILE A 16 15.194 -19.755 9.279 1.00 0.26 C ATOM 261 CG2 ILE A 16 15.919 -19.151 11.617 1.00 0.14 C ATOM 262 CD1 ILE A 16 16.629 -19.913 8.770 1.00 0.32 C ATOM 0 H ILE A 16 13.626 -22.208 10.578 1.00 0.18 H new ATOM 0 HA ILE A 16 16.535 -21.660 10.295 1.00 0.15 H new ATOM 0 HB ILE A 16 14.075 -20.066 11.131 1.00 0.16 H new ATOM 0 HG12 ILE A 16 14.525 -20.392 8.700 1.00 0.26 H new ATOM 0 HG13 ILE A 16 14.862 -18.727 9.132 1.00 0.26 H new ATOM 0 HG21 ILE A 16 15.513 -18.145 11.507 1.00 0.14 H new ATOM 0 HG22 ILE A 16 15.871 -19.449 12.664 1.00 0.14 H new ATOM 0 HG23 ILE A 16 16.957 -19.162 11.284 1.00 0.14 H new ATOM 0 HD11 ILE A 16 16.672 -19.648 7.714 1.00 0.32 H new ATOM 0 HD12 ILE A 16 17.290 -19.257 9.336 1.00 0.32 H new ATOM 0 HD13 ILE A 16 16.948 -20.947 8.898 1.00 0.32 H new ATOM 274 N LEU A 17 17.505 -22.024 12.309 1.00 0.14 N ATOM 275 CA LEU A 17 18.336 -22.344 13.510 1.00 0.20 C ATOM 276 C LEU A 17 18.410 -21.172 14.521 1.00 0.21 C ATOM 277 O LEU A 17 17.856 -21.235 15.600 1.00 0.27 O ATOM 278 CB LEU A 17 19.743 -22.570 12.954 1.00 0.23 C ATOM 279 CG LEU A 17 20.466 -23.730 13.611 1.00 0.27 C ATOM 280 CD1 LEU A 17 21.876 -23.767 13.012 1.00 0.31 C ATOM 281 CD2 LEU A 17 20.552 -23.503 15.120 1.00 0.28 C ATOM 0 H LEU A 17 18.062 -21.946 11.458 1.00 0.14 H new ATOM 0 HA LEU A 17 17.910 -23.195 14.042 1.00 0.20 H new ATOM 0 HB2 LEU A 17 19.678 -22.752 11.881 1.00 0.23 H new ATOM 0 HB3 LEU A 17 20.330 -21.661 13.088 1.00 0.23 H new ATOM 0 HG LEU A 17 19.939 -24.668 13.439 1.00 0.27 H new ATOM 0 HD11 LEU A 17 22.438 -24.589 13.455 1.00 0.31 H new ATOM 0 HD12 LEU A 17 21.810 -23.913 11.934 1.00 0.31 H new ATOM 0 HD13 LEU A 17 22.385 -22.826 13.220 1.00 0.31 H new ATOM 0 HD21 LEU A 17 21.073 -24.340 15.585 1.00 0.28 H new ATOM 0 HD22 LEU A 17 21.098 -22.581 15.319 1.00 0.28 H new ATOM 0 HD23 LEU A 17 19.547 -23.426 15.534 1.00 0.28 H new ATOM 293 N GLU A 18 19.138 -20.119 14.185 1.00 0.18 N ATOM 294 CA GLU A 18 19.310 -18.951 15.130 1.00 0.20 C ATOM 295 C GLU A 18 18.547 -17.727 14.585 1.00 0.18 C ATOM 296 O GLU A 18 18.416 -17.565 13.400 1.00 0.34 O ATOM 297 CB GLU A 18 20.816 -18.646 15.284 1.00 0.25 C ATOM 298 CG GLU A 18 21.074 -18.069 16.675 1.00 0.36 C ATOM 299 CD GLU A 18 21.048 -19.191 17.715 1.00 0.57 C ATOM 300 OE1 GLU A 18 20.593 -20.272 17.382 1.00 0.40 O ATOM 301 OE2 GLU A 18 21.483 -18.947 18.829 1.00 0.99 O ATOM 0 H GLU A 18 19.622 -20.018 13.293 1.00 0.18 H new ATOM 0 HA GLU A 18 18.901 -19.195 16.110 1.00 0.20 H new ATOM 0 HB2 GLU A 18 21.400 -19.555 15.141 1.00 0.25 H new ATOM 0 HB3 GLU A 18 21.136 -17.938 14.519 1.00 0.25 H new ATOM 0 HG2 GLU A 18 22.040 -17.564 16.696 1.00 0.36 H new ATOM 0 HG3 GLU A 18 20.318 -17.321 16.914 1.00 0.36 H new ATOM 308 N THR A 19 17.996 -16.883 15.435 1.00 0.26 N ATOM 309 CA THR A 19 17.204 -15.718 14.911 1.00 0.29 C ATOM 310 C THR A 19 17.513 -14.398 15.652 1.00 0.22 C ATOM 311 O THR A 19 17.884 -14.397 16.809 1.00 0.23 O ATOM 312 CB THR A 19 15.717 -16.046 15.067 1.00 0.54 C ATOM 313 OG1 THR A 19 15.336 -15.885 16.427 1.00 0.64 O ATOM 314 CG2 THR A 19 15.473 -17.494 14.638 1.00 0.69 C ATOM 0 H THR A 19 18.059 -16.949 16.451 1.00 0.26 H new ATOM 0 HA THR A 19 17.478 -15.566 13.867 1.00 0.29 H new ATOM 0 HB THR A 19 15.127 -15.374 14.444 1.00 0.54 H new ATOM 0 HG1 THR A 19 14.384 -16.093 16.527 1.00 0.64 H new ATOM 0 HG21 THR A 19 14.415 -17.733 14.747 1.00 0.69 H new ATOM 0 HG22 THR A 19 15.767 -17.619 13.596 1.00 0.69 H new ATOM 0 HG23 THR A 19 16.062 -18.163 15.265 1.00 0.69 H new ATOM 322 N TYR A 20 17.272 -13.273 15.008 1.00 0.22 N ATOM 323 CA TYR A 20 17.448 -11.941 15.684 1.00 0.23 C ATOM 324 C TYR A 20 16.375 -10.986 15.219 1.00 0.28 C ATOM 325 O TYR A 20 15.788 -11.136 14.165 1.00 0.32 O ATOM 326 CB TYR A 20 18.854 -11.318 15.520 1.00 0.29 C ATOM 327 CG TYR A 20 19.215 -10.893 14.100 1.00 0.30 C ATOM 328 CD1 TYR A 20 18.333 -10.165 13.270 1.00 0.30 C ATOM 329 CD2 TYR A 20 20.488 -11.226 13.624 1.00 0.30 C ATOM 330 CE1 TYR A 20 18.744 -9.785 11.972 1.00 0.31 C ATOM 331 CE2 TYR A 20 20.895 -10.851 12.340 1.00 0.30 C ATOM 332 CZ TYR A 20 20.019 -10.131 11.511 1.00 0.30 C ATOM 333 OH TYR A 20 20.404 -9.760 10.239 1.00 0.30 O ATOM 0 H TYR A 20 16.959 -13.221 14.038 1.00 0.22 H new ATOM 0 HA TYR A 20 17.347 -12.126 16.753 1.00 0.23 H new ATOM 0 HB2 TYR A 20 18.926 -10.448 16.172 1.00 0.29 H new ATOM 0 HB3 TYR A 20 19.595 -12.038 15.866 1.00 0.29 H new ATOM 0 HD1 TYR A 20 17.348 -9.900 13.626 1.00 0.30 H new ATOM 0 HD2 TYR A 20 21.165 -11.780 14.257 1.00 0.30 H new ATOM 0 HE1 TYR A 20 18.073 -9.227 11.335 1.00 0.31 H new ATOM 0 HE2 TYR A 20 21.881 -11.114 11.986 1.00 0.30 H new ATOM 0 HH TYR A 20 19.608 -9.582 9.695 1.00 0.30 H new ATOM 343 N GLU A 21 16.092 -10.027 16.032 1.00 0.32 N ATOM 344 CA GLU A 21 15.032 -9.054 15.715 1.00 0.40 C ATOM 345 C GLU A 21 15.640 -7.659 15.555 1.00 0.47 C ATOM 346 O GLU A 21 16.261 -7.137 16.461 1.00 0.63 O ATOM 347 CB GLU A 21 14.074 -9.089 16.888 1.00 0.41 C ATOM 348 CG GLU A 21 12.637 -9.205 16.382 1.00 0.44 C ATOM 349 CD GLU A 21 11.680 -9.232 17.575 1.00 0.74 C ATOM 350 OE1 GLU A 21 12.046 -9.802 18.589 1.00 1.66 O ATOM 351 OE2 GLU A 21 10.599 -8.678 17.456 1.00 1.53 O ATOM 0 H GLU A 21 16.561 -9.872 16.924 1.00 0.32 H new ATOM 0 HA GLU A 21 14.522 -9.294 14.782 1.00 0.40 H new ATOM 0 HB2 GLU A 21 14.310 -9.933 17.536 1.00 0.41 H new ATOM 0 HB3 GLU A 21 14.186 -8.186 17.487 1.00 0.41 H new ATOM 0 HG2 GLU A 21 12.400 -8.364 15.730 1.00 0.44 H new ATOM 0 HG3 GLU A 21 12.521 -10.111 15.788 1.00 0.44 H new ATOM 358 N ALA A 22 15.486 -7.053 14.405 1.00 0.38 N ATOM 359 CA ALA A 22 16.077 -5.702 14.197 1.00 0.42 C ATOM 360 C ALA A 22 14.978 -4.638 14.132 1.00 0.20 C ATOM 361 O ALA A 22 13.850 -4.905 13.771 1.00 0.28 O ATOM 362 CB ALA A 22 16.865 -5.688 12.884 1.00 0.58 C ATOM 0 H ALA A 22 14.979 -7.435 13.607 1.00 0.38 H new ATOM 0 HA ALA A 22 16.738 -5.478 15.034 1.00 0.42 H new ATOM 0 HB1 ALA A 22 17.298 -4.700 12.730 1.00 0.58 H new ATOM 0 HB2 ALA A 22 17.662 -6.430 12.930 1.00 0.58 H new ATOM 0 HB3 ALA A 22 16.197 -5.924 12.056 1.00 0.58 H new ATOM 368 N GLY A 23 15.324 -3.421 14.450 1.00 0.06 N ATOM 369 CA GLY A 23 14.343 -2.305 14.386 1.00 0.26 C ATOM 370 C GLY A 23 14.843 -1.346 13.319 1.00 0.29 C ATOM 371 O GLY A 23 15.748 -0.567 13.546 1.00 0.27 O ATOM 0 H GLY A 23 16.259 -3.150 14.756 1.00 0.06 H new ATOM 0 HA2 GLY A 23 13.349 -2.677 14.137 1.00 0.26 H new ATOM 0 HA3 GLY A 23 14.263 -1.804 15.351 1.00 0.26 H new ATOM 375 N ILE A 24 14.318 -1.439 12.136 1.00 0.32 N ATOM 376 CA ILE A 24 14.833 -0.576 11.040 1.00 0.34 C ATOM 377 C ILE A 24 13.921 0.627 10.867 1.00 0.37 C ATOM 378 O ILE A 24 12.768 0.502 10.507 1.00 0.39 O ATOM 379 CB ILE A 24 14.866 -1.392 9.749 1.00 0.35 C ATOM 380 CG1 ILE A 24 15.964 -2.450 9.820 1.00 0.33 C ATOM 381 CG2 ILE A 24 15.173 -0.466 8.582 1.00 0.38 C ATOM 382 CD1 ILE A 24 16.287 -2.746 11.276 1.00 0.33 C ATOM 0 H ILE A 24 13.559 -2.070 11.878 1.00 0.32 H new ATOM 0 HA ILE A 24 15.837 -0.226 11.281 1.00 0.34 H new ATOM 0 HB ILE A 24 13.898 -1.876 9.615 1.00 0.35 H new ATOM 0 HG12 ILE A 24 15.640 -3.360 9.316 1.00 0.33 H new ATOM 0 HG13 ILE A 24 16.857 -2.099 9.302 1.00 0.33 H new ATOM 0 HG21 ILE A 24 15.198 -1.042 7.657 1.00 0.38 H new ATOM 0 HG22 ILE A 24 14.400 0.299 8.512 1.00 0.38 H new ATOM 0 HG23 ILE A 24 16.141 0.009 8.740 1.00 0.38 H new ATOM 0 HD11 ILE A 24 17.071 -3.501 11.328 1.00 0.33 H new ATOM 0 HD12 ILE A 24 16.629 -1.834 11.766 1.00 0.33 H new ATOM 0 HD13 ILE A 24 15.393 -3.115 11.779 1.00 0.33 H new ATOM 394 N ALA A 25 14.430 1.797 11.115 1.00 0.37 N ATOM 395 CA ALA A 25 13.570 3.006 10.946 1.00 0.37 C ATOM 396 C ALA A 25 13.668 3.505 9.517 1.00 0.38 C ATOM 397 O ALA A 25 14.564 3.155 8.776 1.00 0.40 O ATOM 398 CB ALA A 25 13.940 4.121 11.889 1.00 0.39 C ATOM 0 H ALA A 25 15.387 1.973 11.422 1.00 0.37 H new ATOM 0 HA ALA A 25 12.548 2.707 11.180 1.00 0.37 H new ATOM 0 HB1 ALA A 25 13.282 4.973 11.721 1.00 0.39 H new ATOM 0 HB2 ALA A 25 13.833 3.778 12.918 1.00 0.39 H new ATOM 0 HB3 ALA A 25 14.973 4.420 11.712 1.00 0.39 H new ATOM 404 N LEU A 26 12.703 4.268 9.118 1.00 0.34 N ATOM 405 CA LEU A 26 12.649 4.746 7.726 1.00 0.32 C ATOM 406 C LEU A 26 12.659 6.274 7.640 1.00 0.29 C ATOM 407 O LEU A 26 12.145 6.963 8.498 1.00 0.26 O ATOM 408 CB LEU A 26 11.359 4.193 7.102 1.00 0.27 C ATOM 409 CG LEU A 26 10.374 3.770 8.213 1.00 0.20 C ATOM 410 CD1 LEU A 26 9.063 3.337 7.576 1.00 0.17 C ATOM 411 CD2 LEU A 26 10.934 2.595 9.044 1.00 0.16 C ATOM 0 H LEU A 26 11.936 4.585 9.711 1.00 0.34 H new ATOM 0 HA LEU A 26 13.532 4.398 7.191 1.00 0.32 H new ATOM 0 HB2 LEU A 26 10.900 4.950 6.466 1.00 0.27 H new ATOM 0 HB3 LEU A 26 11.590 3.339 6.465 1.00 0.27 H new ATOM 0 HG LEU A 26 10.221 4.622 8.876 1.00 0.20 H new ATOM 0 HD11 LEU A 26 8.362 3.037 8.355 1.00 0.17 H new ATOM 0 HD12 LEU A 26 8.642 4.168 7.009 1.00 0.17 H new ATOM 0 HD13 LEU A 26 9.244 2.496 6.907 1.00 0.17 H new ATOM 0 HD21 LEU A 26 10.216 2.322 9.817 1.00 0.16 H new ATOM 0 HD22 LEU A 26 11.109 1.739 8.392 1.00 0.16 H new ATOM 0 HD23 LEU A 26 11.873 2.894 9.510 1.00 0.16 H new ATOM 423 N LYS A 27 13.169 6.794 6.560 1.00 0.32 N ATOM 424 CA LYS A 27 13.139 8.259 6.345 1.00 0.30 C ATOM 425 C LYS A 27 11.731 8.584 5.837 1.00 0.27 C ATOM 426 O LYS A 27 10.869 7.728 5.821 1.00 0.26 O ATOM 427 CB LYS A 27 14.176 8.662 5.291 1.00 0.41 C ATOM 428 CG LYS A 27 14.499 10.154 5.434 1.00 0.29 C ATOM 429 CD LYS A 27 15.983 10.328 5.773 1.00 1.47 C ATOM 430 CE LYS A 27 16.694 11.025 4.611 1.00 0.40 C ATOM 431 NZ LYS A 27 16.903 12.465 4.941 1.00 2.60 N ATOM 0 H LYS A 27 13.609 6.258 5.812 1.00 0.32 H new ATOM 0 HA LYS A 27 13.372 8.799 7.263 1.00 0.30 H new ATOM 0 HB2 LYS A 27 15.083 8.070 5.413 1.00 0.41 H new ATOM 0 HB3 LYS A 27 13.793 8.456 4.292 1.00 0.41 H new ATOM 0 HG2 LYS A 27 14.263 10.678 4.508 1.00 0.29 H new ATOM 0 HG3 LYS A 27 13.882 10.597 6.216 1.00 0.29 H new ATOM 0 HD2 LYS A 27 16.092 10.915 6.685 1.00 1.47 H new ATOM 0 HD3 LYS A 27 16.440 9.357 5.963 1.00 1.47 H new ATOM 0 HE2 LYS A 27 17.652 10.544 4.417 1.00 0.40 H new ATOM 0 HE3 LYS A 27 16.101 10.933 3.701 1.00 0.40 H new ATOM 0 HZ1 LYS A 27 17.386 12.936 4.150 1.00 2.60 H new ATOM 0 HZ2 LYS A 27 15.983 12.921 5.105 1.00 2.60 H new ATOM 0 HZ3 LYS A 27 17.486 12.544 5.799 1.00 2.60 H new ATOM 445 N GLY A 28 11.462 9.796 5.464 1.00 0.34 N ATOM 446 CA GLY A 28 10.078 10.134 5.019 1.00 0.45 C ATOM 447 C GLY A 28 9.638 9.332 3.794 1.00 0.45 C ATOM 448 O GLY A 28 8.531 8.833 3.745 1.00 0.44 O ATOM 0 H GLY A 28 12.130 10.567 5.445 1.00 0.34 H new ATOM 0 HA2 GLY A 28 9.383 9.949 5.838 1.00 0.45 H new ATOM 0 HA3 GLY A 28 10.025 11.198 4.789 1.00 0.45 H new ATOM 452 N THR A 29 10.467 9.195 2.809 1.00 0.53 N ATOM 453 CA THR A 29 10.048 8.423 1.617 1.00 0.60 C ATOM 454 C THR A 29 10.361 6.963 1.840 1.00 0.54 C ATOM 455 O THR A 29 9.925 6.104 1.099 1.00 0.59 O ATOM 456 CB THR A 29 10.762 8.890 0.359 1.00 0.81 C ATOM 457 OG1 THR A 29 12.161 8.677 0.495 1.00 0.91 O ATOM 458 CG2 THR A 29 10.482 10.376 0.116 1.00 0.98 C ATOM 0 H THR A 29 11.411 9.581 2.776 1.00 0.53 H new ATOM 0 HA THR A 29 8.978 8.577 1.478 1.00 0.60 H new ATOM 0 HB THR A 29 10.393 8.318 -0.493 1.00 0.81 H new ATOM 0 HG1 THR A 29 12.618 8.977 -0.318 1.00 0.91 H new ATOM 0 HG21 THR A 29 10.998 10.700 -0.788 1.00 0.98 H new ATOM 0 HG22 THR A 29 9.410 10.529 -0.004 1.00 0.98 H new ATOM 0 HG23 THR A 29 10.839 10.957 0.966 1.00 0.98 H new ATOM 466 N GLU A 30 11.096 6.660 2.861 1.00 0.48 N ATOM 467 CA GLU A 30 11.393 5.238 3.102 1.00 0.56 C ATOM 468 C GLU A 30 10.079 4.555 3.241 1.00 0.55 C ATOM 469 O GLU A 30 9.937 3.431 2.901 1.00 0.67 O ATOM 470 CB GLU A 30 12.212 5.056 4.359 1.00 0.57 C ATOM 471 CG GLU A 30 13.695 5.015 3.978 1.00 0.77 C ATOM 472 CD GLU A 30 13.940 3.871 2.991 1.00 1.08 C ATOM 473 OE1 GLU A 30 13.071 3.024 2.866 1.00 2.56 O ATOM 474 OE2 GLU A 30 14.995 3.861 2.376 1.00 0.72 O ATOM 0 H GLU A 30 11.496 7.322 3.526 1.00 0.48 H new ATOM 0 HA GLU A 30 11.978 4.822 2.282 1.00 0.56 H new ATOM 0 HB2 GLU A 30 12.023 5.874 5.055 1.00 0.57 H new ATOM 0 HB3 GLU A 30 11.927 4.134 4.866 1.00 0.57 H new ATOM 0 HG2 GLU A 30 13.993 5.964 3.532 1.00 0.77 H new ATOM 0 HG3 GLU A 30 14.306 4.877 4.870 1.00 0.77 H new ATOM 481 N VAL A 31 9.099 5.206 3.743 1.00 0.47 N ATOM 482 CA VAL A 31 7.819 4.486 3.869 1.00 0.53 C ATOM 483 C VAL A 31 7.221 4.169 2.492 1.00 0.51 C ATOM 484 O VAL A 31 6.610 3.136 2.327 1.00 0.58 O ATOM 485 CB VAL A 31 6.855 5.249 4.750 1.00 0.57 C ATOM 486 CG1 VAL A 31 5.422 5.016 4.271 1.00 0.65 C ATOM 487 CG2 VAL A 31 7.031 4.684 6.156 1.00 0.66 C ATOM 0 H VAL A 31 9.115 6.174 4.065 1.00 0.47 H new ATOM 0 HA VAL A 31 8.012 3.530 4.356 1.00 0.53 H new ATOM 0 HB VAL A 31 7.048 6.321 4.723 1.00 0.57 H new ATOM 0 HG11 VAL A 31 4.731 5.568 4.909 1.00 0.65 H new ATOM 0 HG12 VAL A 31 5.321 5.362 3.242 1.00 0.65 H new ATOM 0 HG13 VAL A 31 5.190 3.952 4.320 1.00 0.65 H new ATOM 0 HG21 VAL A 31 6.357 5.198 6.842 1.00 0.66 H new ATOM 0 HG22 VAL A 31 6.801 3.619 6.152 1.00 0.66 H new ATOM 0 HG23 VAL A 31 8.061 4.831 6.481 1.00 0.66 H new ATOM 497 N LYS A 32 7.385 4.994 1.481 1.00 0.48 N ATOM 498 CA LYS A 32 6.804 4.586 0.165 1.00 0.49 C ATOM 499 C LYS A 32 7.621 3.434 -0.402 1.00 0.57 C ATOM 500 O LYS A 32 7.091 2.448 -0.839 1.00 0.55 O ATOM 501 CB LYS A 32 6.838 5.725 -0.840 1.00 0.57 C ATOM 502 CG LYS A 32 5.722 6.721 -0.524 1.00 0.39 C ATOM 503 CD LYS A 32 6.251 8.149 -0.671 1.00 0.31 C ATOM 504 CE LYS A 32 6.373 8.795 0.709 1.00 0.47 C ATOM 505 NZ LYS A 32 5.372 9.893 0.833 1.00 0.88 N ATOM 0 H LYS A 32 7.872 5.890 1.506 1.00 0.48 H new ATOM 0 HA LYS A 32 5.767 4.295 0.333 1.00 0.49 H new ATOM 0 HB2 LYS A 32 7.806 6.225 -0.806 1.00 0.57 H new ATOM 0 HB3 LYS A 32 6.716 5.335 -1.851 1.00 0.57 H new ATOM 0 HG2 LYS A 32 4.879 6.564 -1.197 1.00 0.39 H new ATOM 0 HG3 LYS A 32 5.355 6.561 0.490 1.00 0.39 H new ATOM 0 HD2 LYS A 32 7.222 8.139 -1.166 1.00 0.31 H new ATOM 0 HD3 LYS A 32 5.579 8.734 -1.299 1.00 0.31 H new ATOM 0 HE2 LYS A 32 6.209 8.050 1.487 1.00 0.47 H new ATOM 0 HE3 LYS A 32 7.380 9.188 0.851 1.00 0.47 H new ATOM 0 HZ1 LYS A 32 5.454 10.333 1.772 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 5.548 10.608 0.099 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 4.414 9.505 0.715 1.00 0.88 H new ATOM 519 N SER A 33 8.918 3.588 -0.398 1.00 0.66 N ATOM 520 CA SER A 33 9.850 2.548 -0.929 1.00 0.78 C ATOM 521 C SER A 33 9.882 1.347 0.006 1.00 0.78 C ATOM 522 O SER A 33 10.048 0.232 -0.406 1.00 0.85 O ATOM 523 CB SER A 33 11.254 3.135 -1.049 1.00 0.89 C ATOM 524 OG SER A 33 12.202 2.177 -0.595 1.00 3.50 O ATOM 0 H SER A 33 9.386 4.419 -0.037 1.00 0.66 H new ATOM 0 HA SER A 33 9.501 2.227 -1.910 1.00 0.78 H new ATOM 0 HB2 SER A 33 11.460 3.406 -2.084 1.00 0.89 H new ATOM 0 HB3 SER A 33 11.331 4.048 -0.459 1.00 0.89 H new ATOM 0 HG SER A 33 13.105 2.549 -0.672 1.00 3.50 H new ATOM 530 N LEU A 34 9.751 1.585 1.266 1.00 0.73 N ATOM 531 CA LEU A 34 9.782 0.477 2.259 1.00 0.80 C ATOM 532 C LEU A 34 8.496 -0.325 2.070 1.00 0.58 C ATOM 533 O LEU A 34 8.509 -1.534 1.952 1.00 0.68 O ATOM 534 CB LEU A 34 9.897 1.066 3.684 1.00 0.89 C ATOM 535 CG LEU A 34 10.408 -0.003 4.652 1.00 1.56 C ATOM 536 CD1 LEU A 34 9.947 -1.388 4.194 1.00 1.81 C ATOM 537 CD2 LEU A 34 11.937 0.037 4.682 1.00 1.96 C ATOM 0 H LEU A 34 9.621 2.514 1.666 1.00 0.73 H new ATOM 0 HA LEU A 34 10.642 -0.178 2.117 1.00 0.80 H new ATOM 0 HB2 LEU A 34 10.575 1.919 3.680 1.00 0.89 H new ATOM 0 HB3 LEU A 34 8.925 1.433 4.014 1.00 0.89 H new ATOM 0 HG LEU A 34 10.011 0.194 5.648 1.00 1.56 H new ATOM 0 HD11 LEU A 34 10.316 -2.142 4.889 1.00 1.81 H new ATOM 0 HD12 LEU A 34 8.858 -1.419 4.169 1.00 1.81 H new ATOM 0 HD13 LEU A 34 10.339 -1.591 3.197 1.00 1.81 H new ATOM 0 HD21 LEU A 34 12.307 -0.723 5.370 1.00 1.96 H new ATOM 0 HD22 LEU A 34 12.326 -0.158 3.683 1.00 1.96 H new ATOM 0 HD23 LEU A 34 12.269 1.021 5.015 1.00 1.96 H new ATOM 549 N ARG A 35 7.394 0.359 1.974 1.00 0.27 N ATOM 550 CA ARG A 35 6.098 -0.322 1.715 1.00 0.21 C ATOM 551 C ARG A 35 6.081 -0.725 0.239 1.00 0.20 C ATOM 552 O ARG A 35 5.384 -1.630 -0.174 1.00 0.32 O ATOM 553 CB ARG A 35 4.946 0.649 1.983 1.00 0.46 C ATOM 554 CG ARG A 35 3.736 0.250 1.135 1.00 1.76 C ATOM 555 CD ARG A 35 2.524 1.091 1.540 1.00 1.70 C ATOM 556 NE ARG A 35 1.276 0.418 1.076 1.00 2.23 N ATOM 557 CZ ARG A 35 0.902 -0.715 1.612 1.00 2.00 C ATOM 558 NH1 ARG A 35 0.956 -0.878 2.907 1.00 2.46 N ATOM 559 NH2 ARG A 35 0.465 -1.681 0.852 1.00 2.73 N ATOM 0 H ARG A 35 7.335 1.373 2.065 1.00 0.27 H new ATOM 0 HA ARG A 35 5.985 -1.193 2.361 1.00 0.21 H new ATOM 0 HB2 ARG A 35 4.683 0.635 3.041 1.00 0.46 H new ATOM 0 HB3 ARG A 35 5.251 1.668 1.744 1.00 0.46 H new ATOM 0 HG2 ARG A 35 3.956 0.397 0.078 1.00 1.76 H new ATOM 0 HG3 ARG A 35 3.518 -0.809 1.271 1.00 1.76 H new ATOM 0 HD2 ARG A 35 2.501 1.218 2.622 1.00 1.70 H new ATOM 0 HD3 ARG A 35 2.597 2.087 1.104 1.00 1.70 H new ATOM 0 HE ARG A 35 0.713 0.842 0.339 1.00 2.23 H new ATOM 0 HH11 ARG A 35 1.290 -0.121 3.503 1.00 2.46 H new ATOM 0 HH12 ARG A 35 0.664 -1.763 3.322 1.00 2.46 H new ATOM 0 HH21 ARG A 35 0.415 -1.552 -0.159 1.00 2.73 H new ATOM 0 HH22 ARG A 35 0.173 -2.565 1.268 1.00 2.73 H new ATOM 573 N ALA A 36 6.864 -0.040 -0.551 1.00 0.39 N ATOM 574 CA ALA A 36 6.941 -0.339 -2.013 1.00 0.71 C ATOM 575 C ALA A 36 8.314 -0.947 -2.281 1.00 0.86 C ATOM 576 O ALA A 36 8.873 -0.822 -3.354 1.00 1.20 O ATOM 577 CB ALA A 36 6.781 0.965 -2.820 1.00 1.03 C ATOM 0 H ALA A 36 7.463 0.726 -0.242 1.00 0.39 H new ATOM 0 HA ALA A 36 6.149 -1.027 -2.310 1.00 0.71 H new ATOM 0 HB1 ALA A 36 6.838 0.743 -3.886 1.00 1.03 H new ATOM 0 HB2 ALA A 36 5.815 1.416 -2.594 1.00 1.03 H new ATOM 0 HB3 ALA A 36 7.577 1.659 -2.551 1.00 1.03 H new ATOM 583 N GLY A 37 8.893 -1.536 -1.269 1.00 0.75 N ATOM 584 CA GLY A 37 10.269 -2.081 -1.394 1.00 1.10 C ATOM 585 C GLY A 37 10.340 -3.374 -2.186 1.00 0.61 C ATOM 586 O GLY A 37 9.953 -4.426 -1.716 1.00 0.85 O ATOM 0 H GLY A 37 8.464 -1.662 -0.352 1.00 0.75 H new ATOM 0 HA2 GLY A 37 10.904 -1.336 -1.873 1.00 1.10 H new ATOM 0 HA3 GLY A 37 10.675 -2.252 -0.397 1.00 1.10 H new ATOM 590 N LYS A 38 10.922 -3.327 -3.351 1.00 0.50 N ATOM 591 CA LYS A 38 11.113 -4.582 -4.105 1.00 0.80 C ATOM 592 C LYS A 38 12.584 -4.931 -3.902 1.00 0.75 C ATOM 593 O LYS A 38 13.464 -4.206 -4.319 1.00 0.86 O ATOM 594 CB LYS A 38 10.805 -4.372 -5.589 1.00 1.32 C ATOM 595 CG LYS A 38 10.238 -5.665 -6.182 1.00 1.72 C ATOM 596 CD LYS A 38 8.969 -6.064 -5.424 1.00 1.11 C ATOM 597 CE LYS A 38 7.995 -6.745 -6.385 1.00 1.73 C ATOM 598 NZ LYS A 38 7.902 -8.195 -6.053 1.00 1.31 N ATOM 0 H LYS A 38 11.268 -2.481 -3.804 1.00 0.50 H new ATOM 0 HA LYS A 38 10.449 -5.376 -3.763 1.00 0.80 H new ATOM 0 HB2 LYS A 38 10.089 -3.559 -5.711 1.00 1.32 H new ATOM 0 HB3 LYS A 38 11.711 -4.082 -6.122 1.00 1.32 H new ATOM 0 HG2 LYS A 38 10.013 -5.524 -7.239 1.00 1.72 H new ATOM 0 HG3 LYS A 38 10.978 -6.462 -6.117 1.00 1.72 H new ATOM 0 HD2 LYS A 38 9.219 -6.738 -4.604 1.00 1.11 H new ATOM 0 HD3 LYS A 38 8.504 -5.183 -4.982 1.00 1.11 H new ATOM 0 HE2 LYS A 38 7.012 -6.281 -6.313 1.00 1.73 H new ATOM 0 HE3 LYS A 38 8.333 -6.617 -7.413 1.00 1.73 H new ATOM 0 HZ1 LYS A 38 7.239 -8.659 -6.707 1.00 1.31 H new ATOM 0 HZ2 LYS A 38 8.841 -8.633 -6.143 1.00 1.31 H new ATOM 0 HZ3 LYS A 38 7.561 -8.306 -5.077 1.00 1.31 H new ATOM 612 N VAL A 39 12.860 -6.002 -3.224 1.00 0.82 N ATOM 613 CA VAL A 39 14.277 -6.360 -2.942 1.00 0.77 C ATOM 614 C VAL A 39 14.389 -7.880 -2.888 1.00 0.48 C ATOM 615 O VAL A 39 13.404 -8.572 -2.727 1.00 0.47 O ATOM 616 CB VAL A 39 14.679 -5.715 -1.597 1.00 1.08 C ATOM 617 CG1 VAL A 39 13.548 -5.871 -0.587 1.00 1.64 C ATOM 618 CG2 VAL A 39 15.943 -6.364 -1.012 1.00 0.54 C ATOM 0 H VAL A 39 12.166 -6.649 -2.850 1.00 0.82 H new ATOM 0 HA VAL A 39 14.947 -5.993 -3.719 1.00 0.77 H new ATOM 0 HB VAL A 39 14.880 -4.661 -1.790 1.00 1.08 H new ATOM 0 HG11 VAL A 39 13.839 -5.414 0.359 1.00 1.64 H new ATOM 0 HG12 VAL A 39 12.651 -5.381 -0.966 1.00 1.64 H new ATOM 0 HG13 VAL A 39 13.344 -6.930 -0.430 1.00 1.64 H new ATOM 0 HG21 VAL A 39 16.194 -5.884 -0.066 1.00 0.54 H new ATOM 0 HG22 VAL A 39 15.762 -7.426 -0.843 1.00 0.54 H new ATOM 0 HG23 VAL A 39 16.771 -6.244 -1.711 1.00 0.54 H new ATOM 628 N ASP A 40 15.563 -8.418 -3.057 1.00 0.34 N ATOM 629 CA ASP A 40 15.677 -9.904 -3.050 1.00 0.16 C ATOM 630 C ASP A 40 15.817 -10.440 -1.621 1.00 0.14 C ATOM 631 O ASP A 40 16.844 -10.290 -0.989 1.00 0.15 O ATOM 632 CB ASP A 40 16.912 -10.314 -3.853 1.00 0.13 C ATOM 633 CG ASP A 40 16.493 -10.742 -5.260 1.00 0.77 C ATOM 634 OD1 ASP A 40 15.943 -11.823 -5.390 1.00 1.45 O ATOM 635 OD2 ASP A 40 16.734 -9.983 -6.184 1.00 2.50 O ATOM 0 H ASP A 40 16.434 -7.906 -3.197 1.00 0.34 H new ATOM 0 HA ASP A 40 14.772 -10.321 -3.493 1.00 0.16 H new ATOM 0 HB2 ASP A 40 17.614 -9.482 -3.909 1.00 0.13 H new ATOM 0 HB3 ASP A 40 17.428 -11.133 -3.352 1.00 0.13 H new ATOM 640 N PHE A 41 14.805 -11.114 -1.124 1.00 0.17 N ATOM 641 CA PHE A 41 14.909 -11.710 0.237 1.00 0.21 C ATOM 642 C PHE A 41 15.255 -13.179 0.048 1.00 0.18 C ATOM 643 O PHE A 41 14.456 -13.938 -0.452 1.00 0.21 O ATOM 644 CB PHE A 41 13.581 -11.589 0.996 1.00 0.29 C ATOM 645 CG PHE A 41 13.602 -10.336 1.837 1.00 0.40 C ATOM 646 CD1 PHE A 41 14.176 -9.173 1.314 1.00 0.91 C ATOM 647 CD2 PHE A 41 13.048 -10.327 3.133 1.00 0.13 C ATOM 648 CE1 PHE A 41 14.199 -8.003 2.075 1.00 1.03 C ATOM 649 CE2 PHE A 41 13.076 -9.153 3.889 1.00 0.19 C ATOM 650 CZ PHE A 41 13.648 -7.994 3.358 1.00 0.65 C ATOM 0 H PHE A 41 13.919 -11.274 -1.603 1.00 0.17 H new ATOM 0 HA PHE A 41 15.668 -11.188 0.820 1.00 0.21 H new ATOM 0 HB2 PHE A 41 12.749 -11.556 0.293 1.00 0.29 H new ATOM 0 HB3 PHE A 41 13.429 -12.463 1.629 1.00 0.29 H new ATOM 0 HD1 PHE A 41 14.601 -9.180 0.321 1.00 0.91 H new ATOM 0 HD2 PHE A 41 12.604 -11.224 3.540 1.00 0.13 H new ATOM 0 HE1 PHE A 41 14.643 -7.105 1.672 1.00 1.03 H new ATOM 0 HE2 PHE A 41 12.656 -9.141 4.884 1.00 0.19 H new ATOM 0 HZ PHE A 41 13.664 -7.086 3.943 1.00 0.65 H new ATOM 660 N THR A 42 16.451 -13.547 0.429 1.00 0.19 N ATOM 661 CA THR A 42 16.965 -14.942 0.287 1.00 0.18 C ATOM 662 C THR A 42 18.363 -14.867 -0.306 1.00 0.19 C ATOM 663 O THR A 42 18.718 -13.879 -0.920 1.00 0.19 O ATOM 664 CB THR A 42 16.085 -15.779 -0.624 1.00 0.13 C ATOM 665 OG1 THR A 42 16.603 -17.100 -0.703 1.00 0.20 O ATOM 666 CG2 THR A 42 16.082 -15.149 -2.007 1.00 0.05 C ATOM 0 H THR A 42 17.122 -12.906 0.852 1.00 0.19 H new ATOM 0 HA THR A 42 16.970 -15.416 1.269 1.00 0.18 H new ATOM 0 HB THR A 42 15.069 -15.818 -0.230 1.00 0.13 H new ATOM 0 HG1 THR A 42 15.903 -17.707 -1.022 1.00 0.20 H new ATOM 0 HG21 THR A 42 15.454 -15.739 -2.674 1.00 0.05 H new ATOM 0 HG22 THR A 42 15.691 -14.134 -1.943 1.00 0.05 H new ATOM 0 HG23 THR A 42 17.100 -15.122 -2.397 1.00 0.05 H new ATOM 674 N GLY A 43 19.178 -15.872 -0.107 1.00 0.19 N ATOM 675 CA GLY A 43 20.565 -15.787 -0.639 1.00 0.19 C ATOM 676 C GLY A 43 21.071 -14.407 -0.248 1.00 0.19 C ATOM 677 O GLY A 43 21.840 -13.772 -0.942 1.00 0.20 O ATOM 0 H GLY A 43 18.946 -16.731 0.392 1.00 0.19 H new ATOM 0 HA2 GLY A 43 21.195 -16.569 -0.216 1.00 0.19 H new ATOM 0 HA3 GLY A 43 20.578 -15.917 -1.721 1.00 0.19 H new ATOM 681 N SER A 44 20.575 -13.933 0.862 1.00 0.18 N ATOM 682 CA SER A 44 20.925 -12.585 1.352 1.00 0.18 C ATOM 683 C SER A 44 21.873 -12.709 2.545 1.00 0.18 C ATOM 684 O SER A 44 22.048 -13.782 3.089 1.00 0.21 O ATOM 685 CB SER A 44 19.624 -11.907 1.768 1.00 0.17 C ATOM 686 OG SER A 44 19.817 -11.217 2.995 1.00 0.47 O ATOM 0 H SER A 44 19.925 -14.444 1.460 1.00 0.18 H new ATOM 0 HA SER A 44 21.427 -11.999 0.582 1.00 0.18 H new ATOM 0 HB2 SER A 44 19.302 -11.210 0.994 1.00 0.17 H new ATOM 0 HB3 SER A 44 18.834 -12.650 1.877 1.00 0.17 H new ATOM 0 HG SER A 44 20.259 -10.360 2.822 1.00 0.47 H new ATOM 692 N PHE A 45 22.503 -11.636 2.964 1.00 0.15 N ATOM 693 CA PHE A 45 23.433 -11.755 4.116 1.00 0.15 C ATOM 694 C PHE A 45 23.375 -10.487 4.954 1.00 0.15 C ATOM 695 O PHE A 45 23.059 -9.425 4.474 1.00 0.15 O ATOM 696 CB PHE A 45 24.868 -11.962 3.618 1.00 0.15 C ATOM 697 CG PHE A 45 24.945 -13.218 2.784 1.00 0.15 C ATOM 698 CD1 PHE A 45 24.360 -13.239 1.521 1.00 0.21 C ATOM 699 CD2 PHE A 45 25.602 -14.354 3.265 1.00 0.29 C ATOM 700 CE1 PHE A 45 24.420 -14.374 0.732 1.00 0.35 C ATOM 701 CE2 PHE A 45 25.670 -15.507 2.473 1.00 0.40 C ATOM 702 CZ PHE A 45 25.077 -15.518 1.201 1.00 0.42 C ATOM 0 H PHE A 45 22.412 -10.703 2.563 1.00 0.15 H new ATOM 0 HA PHE A 45 23.134 -12.611 4.720 1.00 0.15 H new ATOM 0 HB2 PHE A 45 25.185 -11.103 3.027 1.00 0.15 H new ATOM 0 HB3 PHE A 45 25.550 -12.035 4.465 1.00 0.15 H new ATOM 0 HD1 PHE A 45 23.853 -12.359 1.153 1.00 0.21 H new ATOM 0 HD2 PHE A 45 26.056 -14.343 4.245 1.00 0.29 H new ATOM 0 HE1 PHE A 45 23.960 -14.378 -0.245 1.00 0.35 H new ATOM 0 HE2 PHE A 45 26.178 -16.386 2.840 1.00 0.40 H new ATOM 0 HZ PHE A 45 25.127 -16.405 0.587 1.00 0.42 H new ATOM 712 N ALA A 46 23.690 -10.609 6.200 1.00 0.16 N ATOM 713 CA ALA A 46 23.688 -9.443 7.118 1.00 0.17 C ATOM 714 C ALA A 46 24.995 -9.517 7.904 1.00 0.23 C ATOM 715 O ALA A 46 25.517 -10.591 8.124 1.00 0.27 O ATOM 716 CB ALA A 46 22.481 -9.510 8.059 1.00 0.13 C ATOM 0 H ALA A 46 23.957 -11.491 6.637 1.00 0.16 H new ATOM 0 HA ALA A 46 23.614 -8.503 6.571 1.00 0.17 H new ATOM 0 HB1 ALA A 46 22.492 -8.649 8.727 1.00 0.13 H new ATOM 0 HB2 ALA A 46 21.562 -9.503 7.473 1.00 0.13 H new ATOM 0 HB3 ALA A 46 22.529 -10.426 8.648 1.00 0.13 H new ATOM 722 N ARG A 47 25.569 -8.418 8.293 1.00 0.26 N ATOM 723 CA ARG A 47 26.870 -8.511 9.010 1.00 0.34 C ATOM 724 C ARG A 47 26.674 -8.138 10.474 1.00 0.32 C ATOM 725 O ARG A 47 25.856 -7.312 10.812 1.00 0.28 O ATOM 726 CB ARG A 47 27.867 -7.547 8.369 1.00 0.40 C ATOM 727 CG ARG A 47 28.615 -6.789 9.466 1.00 0.44 C ATOM 728 CD ARG A 47 29.860 -6.127 8.872 1.00 0.54 C ATOM 729 NE ARG A 47 29.513 -4.765 8.374 1.00 1.96 N ATOM 730 CZ ARG A 47 29.956 -4.361 7.214 1.00 2.84 C ATOM 731 NH1 ARG A 47 29.304 -4.664 6.124 1.00 3.32 N ATOM 732 NH2 ARG A 47 31.051 -3.656 7.144 1.00 3.68 N ATOM 0 H ARG A 47 25.205 -7.476 8.151 1.00 0.26 H new ATOM 0 HA ARG A 47 27.250 -9.530 8.945 1.00 0.34 H new ATOM 0 HB2 ARG A 47 28.572 -8.097 7.745 1.00 0.40 H new ATOM 0 HB3 ARG A 47 27.345 -6.846 7.718 1.00 0.40 H new ATOM 0 HG2 ARG A 47 27.965 -6.034 9.909 1.00 0.44 H new ATOM 0 HG3 ARG A 47 28.900 -7.473 10.265 1.00 0.44 H new ATOM 0 HD2 ARG A 47 30.644 -6.061 9.626 1.00 0.54 H new ATOM 0 HD3 ARG A 47 30.253 -6.734 8.057 1.00 0.54 H new ATOM 0 HE ARG A 47 28.929 -4.149 8.940 1.00 1.96 H new ATOM 0 HH11 ARG A 47 28.448 -5.216 6.178 1.00 3.32 H new ATOM 0 HH12 ARG A 47 29.650 -4.348 5.218 1.00 3.32 H new ATOM 0 HH21 ARG A 47 31.561 -3.420 7.995 1.00 3.68 H new ATOM 0 HH22 ARG A 47 31.397 -3.340 6.238 1.00 3.68 H new ATOM 746 N PHE A 48 27.403 -8.779 11.348 1.00 0.37 N ATOM 747 CA PHE A 48 27.251 -8.506 12.790 1.00 0.37 C ATOM 748 C PHE A 48 28.506 -7.824 13.336 1.00 0.36 C ATOM 749 O PHE A 48 29.555 -8.415 13.504 1.00 0.35 O ATOM 750 CB PHE A 48 26.973 -9.830 13.523 1.00 0.43 C ATOM 751 CG PHE A 48 28.265 -10.459 13.994 1.00 0.91 C ATOM 752 CD1 PHE A 48 29.204 -10.917 13.060 1.00 1.22 C ATOM 753 CD2 PHE A 48 28.527 -10.578 15.365 1.00 1.30 C ATOM 754 CE1 PHE A 48 30.401 -11.494 13.496 1.00 1.69 C ATOM 755 CE2 PHE A 48 29.726 -11.155 15.801 1.00 1.72 C ATOM 756 CZ PHE A 48 30.662 -11.613 14.868 1.00 1.87 C ATOM 0 H PHE A 48 28.101 -9.485 11.114 1.00 0.37 H new ATOM 0 HA PHE A 48 26.412 -7.829 12.952 1.00 0.37 H new ATOM 0 HB2 PHE A 48 26.318 -9.649 14.375 1.00 0.43 H new ATOM 0 HB3 PHE A 48 26.449 -10.517 12.858 1.00 0.43 H new ATOM 0 HD1 PHE A 48 29.003 -10.824 12.003 1.00 1.22 H new ATOM 0 HD2 PHE A 48 27.804 -10.225 16.086 1.00 1.30 H new ATOM 0 HE1 PHE A 48 31.124 -11.848 12.776 1.00 1.69 H new ATOM 0 HE2 PHE A 48 29.928 -11.246 16.858 1.00 1.72 H new ATOM 0 HZ PHE A 48 31.586 -12.059 15.205 1.00 1.87 H new ATOM 766 N GLU A 49 28.383 -6.576 13.628 1.00 0.34 N ATOM 767 CA GLU A 49 29.528 -5.817 14.195 1.00 0.32 C ATOM 768 C GLU A 49 29.326 -5.722 15.712 1.00 0.33 C ATOM 769 O GLU A 49 29.610 -4.712 16.324 1.00 0.39 O ATOM 770 CB GLU A 49 29.569 -4.412 13.585 1.00 0.26 C ATOM 771 CG GLU A 49 30.993 -3.859 13.660 1.00 0.14 C ATOM 772 CD GLU A 49 31.225 -2.889 12.501 1.00 0.64 C ATOM 773 OE1 GLU A 49 30.249 -2.366 11.990 1.00 1.80 O ATOM 774 OE2 GLU A 49 32.374 -2.689 12.143 1.00 0.36 O ATOM 0 H GLU A 49 27.529 -6.034 13.499 1.00 0.34 H new ATOM 0 HA GLU A 49 30.468 -6.320 13.970 1.00 0.32 H new ATOM 0 HB2 GLU A 49 29.236 -4.446 12.548 1.00 0.26 H new ATOM 0 HB3 GLU A 49 28.884 -3.753 14.119 1.00 0.26 H new ATOM 0 HG2 GLU A 49 31.147 -3.349 14.611 1.00 0.14 H new ATOM 0 HG3 GLU A 49 31.714 -4.675 13.615 1.00 0.14 H new ATOM 781 N ASP A 50 28.822 -6.775 16.314 1.00 0.37 N ATOM 782 CA ASP A 50 28.573 -6.772 17.790 1.00 0.40 C ATOM 783 C ASP A 50 28.048 -5.397 18.202 1.00 0.36 C ATOM 784 O ASP A 50 28.510 -4.811 19.160 1.00 0.51 O ATOM 785 CB ASP A 50 29.877 -7.062 18.536 1.00 0.46 C ATOM 786 CG ASP A 50 30.024 -8.569 18.752 1.00 1.25 C ATOM 787 OD1 ASP A 50 29.202 -9.306 18.231 1.00 1.13 O ATOM 788 OD2 ASP A 50 30.956 -8.960 19.434 1.00 2.09 O ATOM 0 H ASP A 50 28.571 -7.643 15.840 1.00 0.37 H new ATOM 0 HA ASP A 50 27.841 -7.540 18.038 1.00 0.40 H new ATOM 0 HB2 ASP A 50 30.725 -6.682 17.966 1.00 0.46 H new ATOM 0 HB3 ASP A 50 29.881 -6.545 19.496 1.00 0.46 H new ATOM 793 N GLY A 51 27.097 -4.878 17.477 1.00 0.25 N ATOM 794 CA GLY A 51 26.540 -3.538 17.813 1.00 0.21 C ATOM 795 C GLY A 51 25.681 -3.048 16.648 1.00 0.18 C ATOM 796 O GLY A 51 24.608 -2.513 16.836 1.00 0.23 O ATOM 0 H GLY A 51 26.679 -5.327 16.662 1.00 0.25 H new ATOM 0 HA2 GLY A 51 25.942 -3.596 18.723 1.00 0.21 H new ATOM 0 HA3 GLY A 51 27.348 -2.833 18.007 1.00 0.21 H new ATOM 800 N GLU A 52 26.146 -3.233 15.441 1.00 0.36 N ATOM 801 CA GLU A 52 25.356 -2.787 14.259 1.00 0.33 C ATOM 802 C GLU A 52 25.224 -3.947 13.272 1.00 0.42 C ATOM 803 O GLU A 52 26.191 -4.594 12.925 1.00 0.68 O ATOM 804 CB GLU A 52 26.062 -1.613 13.579 1.00 0.45 C ATOM 805 CG GLU A 52 25.017 -0.670 12.978 1.00 1.28 C ATOM 806 CD GLU A 52 24.677 0.427 13.990 1.00 2.43 C ATOM 807 OE1 GLU A 52 24.465 0.095 15.145 1.00 3.00 O ATOM 808 OE2 GLU A 52 24.632 1.579 13.592 1.00 3.92 O ATOM 0 H GLU A 52 27.040 -3.674 15.224 1.00 0.36 H new ATOM 0 HA GLU A 52 24.365 -2.469 14.584 1.00 0.33 H new ATOM 0 HB2 GLU A 52 26.679 -1.078 14.301 1.00 0.45 H new ATOM 0 HB3 GLU A 52 26.730 -1.978 12.799 1.00 0.45 H new ATOM 0 HG2 GLU A 52 25.398 -0.226 12.059 1.00 1.28 H new ATOM 0 HG3 GLU A 52 24.118 -1.227 12.714 1.00 1.28 H new ATOM 815 N LEU A 53 24.032 -4.206 12.809 1.00 0.35 N ATOM 816 CA LEU A 53 23.818 -5.302 11.841 1.00 0.47 C ATOM 817 C LEU A 53 23.351 -4.680 10.535 1.00 0.31 C ATOM 818 O LEU A 53 22.231 -4.239 10.399 1.00 0.51 O ATOM 819 CB LEU A 53 22.768 -6.272 12.364 1.00 0.83 C ATOM 820 CG LEU A 53 22.349 -7.204 11.231 1.00 0.72 C ATOM 821 CD1 LEU A 53 22.583 -8.656 11.656 1.00 0.50 C ATOM 822 CD2 LEU A 53 20.868 -6.971 10.922 1.00 0.71 C ATOM 0 H LEU A 53 23.189 -3.693 13.068 1.00 0.35 H new ATOM 0 HA LEU A 53 24.743 -5.859 11.690 1.00 0.47 H new ATOM 0 HB2 LEU A 53 23.169 -6.848 13.198 1.00 0.83 H new ATOM 0 HB3 LEU A 53 21.904 -5.725 12.741 1.00 0.83 H new ATOM 0 HG LEU A 53 22.939 -7.001 10.337 1.00 0.72 H new ATOM 0 HD11 LEU A 53 22.284 -9.324 10.848 1.00 0.50 H new ATOM 0 HD12 LEU A 53 23.640 -8.804 11.878 1.00 0.50 H new ATOM 0 HD13 LEU A 53 21.992 -8.875 12.545 1.00 0.50 H new ATOM 0 HD21 LEU A 53 20.557 -7.632 10.113 1.00 0.71 H new ATOM 0 HD22 LEU A 53 20.273 -7.181 11.811 1.00 0.71 H new ATOM 0 HD23 LEU A 53 20.718 -5.934 10.621 1.00 0.71 H new ATOM 834 N TYR A 54 24.235 -4.597 9.608 1.00 0.23 N ATOM 835 CA TYR A 54 23.927 -3.939 8.306 1.00 0.37 C ATOM 836 C TYR A 54 23.349 -4.885 7.275 1.00 0.33 C ATOM 837 O TYR A 54 23.651 -6.062 7.243 1.00 0.36 O ATOM 838 CB TYR A 54 25.243 -3.453 7.709 1.00 0.53 C ATOM 839 CG TYR A 54 25.776 -2.324 8.550 1.00 0.65 C ATOM 840 CD1 TYR A 54 25.181 -1.065 8.460 1.00 0.89 C ATOM 841 CD2 TYR A 54 26.847 -2.535 9.427 1.00 0.69 C ATOM 842 CE1 TYR A 54 25.652 -0.010 9.239 1.00 1.01 C ATOM 843 CE2 TYR A 54 27.322 -1.477 10.212 1.00 0.82 C ATOM 844 CZ TYR A 54 26.723 -0.212 10.118 1.00 0.93 C ATOM 845 OH TYR A 54 27.189 0.833 10.891 1.00 1.07 O ATOM 0 H TYR A 54 25.184 -4.962 9.686 1.00 0.23 H new ATOM 0 HA TYR A 54 23.203 -3.152 8.516 1.00 0.37 H new ATOM 0 HB2 TYR A 54 25.965 -4.269 7.674 1.00 0.53 H new ATOM 0 HB3 TYR A 54 25.090 -3.118 6.683 1.00 0.53 H new ATOM 0 HD1 TYR A 54 24.353 -0.908 7.785 1.00 0.89 H new ATOM 0 HD2 TYR A 54 27.305 -3.510 9.498 1.00 0.69 H new ATOM 0 HE1 TYR A 54 25.191 0.964 9.165 1.00 1.01 H new ATOM 0 HE2 TYR A 54 28.149 -1.635 10.889 1.00 0.82 H new ATOM 0 HH TYR A 54 27.935 0.522 11.446 1.00 1.07 H new ATOM 855 N LEU A 55 22.613 -4.338 6.343 1.00 0.28 N ATOM 856 CA LEU A 55 22.141 -5.178 5.231 1.00 0.25 C ATOM 857 C LEU A 55 23.459 -5.549 4.569 1.00 0.28 C ATOM 858 O LEU A 55 24.325 -4.706 4.451 1.00 0.27 O ATOM 859 CB LEU A 55 21.338 -4.340 4.217 1.00 0.17 C ATOM 860 CG LEU A 55 19.817 -4.523 4.315 1.00 0.15 C ATOM 861 CD1 LEU A 55 19.219 -4.402 2.906 1.00 2.05 C ATOM 862 CD2 LEU A 55 19.449 -5.872 4.940 1.00 1.99 C ATOM 0 H LEU A 55 22.328 -3.359 6.313 1.00 0.28 H new ATOM 0 HA LEU A 55 21.508 -6.005 5.552 1.00 0.25 H new ATOM 0 HB2 LEU A 55 21.576 -3.286 4.364 1.00 0.17 H new ATOM 0 HB3 LEU A 55 21.660 -4.603 3.209 1.00 0.17 H new ATOM 0 HG LEU A 55 19.408 -3.749 4.965 1.00 0.15 H new ATOM 0 HD11 LEU A 55 18.138 -4.530 2.957 1.00 2.05 H new ATOM 0 HD12 LEU A 55 19.449 -3.419 2.496 1.00 2.05 H new ATOM 0 HD13 LEU A 55 19.645 -5.172 2.263 1.00 2.05 H new ATOM 0 HD21 LEU A 55 18.364 -5.965 4.993 1.00 1.99 H new ATOM 0 HD22 LEU A 55 19.853 -6.679 4.328 1.00 1.99 H new ATOM 0 HD23 LEU A 55 19.868 -5.934 5.945 1.00 1.99 H new ATOM 874 N GLU A 56 23.679 -6.747 4.162 1.00 0.36 N ATOM 875 CA GLU A 56 25.005 -7.019 3.563 1.00 0.40 C ATOM 876 C GLU A 56 24.817 -7.609 2.173 1.00 0.40 C ATOM 877 O GLU A 56 25.638 -7.437 1.292 1.00 0.67 O ATOM 878 CB GLU A 56 25.783 -7.939 4.497 1.00 0.43 C ATOM 879 CG GLU A 56 26.892 -8.649 3.717 1.00 0.45 C ATOM 880 CD GLU A 56 27.850 -9.327 4.697 1.00 1.01 C ATOM 881 OE1 GLU A 56 27.426 -10.258 5.363 1.00 2.56 O ATOM 882 OE2 GLU A 56 28.992 -8.906 4.765 1.00 1.07 O ATOM 0 H GLU A 56 23.029 -7.532 4.211 1.00 0.36 H new ATOM 0 HA GLU A 56 25.583 -6.102 3.445 1.00 0.40 H new ATOM 0 HB2 GLU A 56 26.213 -7.362 5.316 1.00 0.43 H new ATOM 0 HB3 GLU A 56 25.111 -8.673 4.942 1.00 0.43 H new ATOM 0 HG2 GLU A 56 26.461 -9.389 3.043 1.00 0.45 H new ATOM 0 HG3 GLU A 56 27.433 -7.932 3.100 1.00 0.45 H new ATOM 889 N ASN A 57 23.714 -8.253 1.953 1.00 0.50 N ATOM 890 CA ASN A 57 23.432 -8.798 0.607 1.00 0.50 C ATOM 891 C ASN A 57 21.978 -8.474 0.243 1.00 0.53 C ATOM 892 O ASN A 57 21.545 -8.705 -0.869 1.00 0.87 O ATOM 893 CB ASN A 57 23.680 -10.302 0.583 1.00 0.62 C ATOM 894 CG ASN A 57 24.624 -10.639 -0.569 1.00 0.59 C ATOM 895 OD1 ASN A 57 25.611 -11.324 -0.381 1.00 1.34 O ATOM 896 ND2 ASN A 57 24.365 -10.184 -1.764 1.00 1.34 N ATOM 0 H ASN A 57 22.992 -8.426 2.652 1.00 0.50 H new ATOM 0 HA ASN A 57 24.097 -8.343 -0.127 1.00 0.50 H new ATOM 0 HB2 ASN A 57 24.113 -10.626 1.530 1.00 0.62 H new ATOM 0 HB3 ASN A 57 22.737 -10.836 0.464 1.00 0.62 H new ATOM 0 HD21 ASN A 57 24.990 -10.403 -2.540 1.00 1.34 H new ATOM 0 HD22 ASN A 57 23.537 -9.609 -1.923 1.00 1.34 H new ATOM 903 N LEU A 58 21.225 -7.897 1.157 1.00 0.55 N ATOM 904 CA LEU A 58 19.827 -7.525 0.819 1.00 0.48 C ATOM 905 C LEU A 58 19.908 -6.376 -0.176 1.00 0.12 C ATOM 906 O LEU A 58 20.137 -5.241 0.188 1.00 0.20 O ATOM 907 CB LEU A 58 19.060 -7.040 2.065 1.00 0.75 C ATOM 908 CG LEU A 58 18.232 -8.167 2.707 1.00 1.16 C ATOM 909 CD1 LEU A 58 17.089 -7.540 3.507 1.00 1.74 C ATOM 910 CD2 LEU A 58 17.622 -9.073 1.635 1.00 0.67 C ATOM 0 H LEU A 58 21.522 -7.674 2.107 1.00 0.55 H new ATOM 0 HA LEU A 58 19.302 -8.391 0.415 1.00 0.48 H new ATOM 0 HB2 LEU A 58 19.767 -6.648 2.796 1.00 0.75 H new ATOM 0 HB3 LEU A 58 18.400 -6.218 1.787 1.00 0.75 H new ATOM 0 HG LEU A 58 18.886 -8.759 3.347 1.00 1.16 H new ATOM 0 HD11 LEU A 58 16.493 -8.327 3.968 1.00 1.74 H new ATOM 0 HD12 LEU A 58 17.500 -6.894 4.283 1.00 1.74 H new ATOM 0 HD13 LEU A 58 16.459 -6.951 2.841 1.00 1.74 H new ATOM 0 HD21 LEU A 58 17.041 -9.862 2.113 1.00 0.67 H new ATOM 0 HD22 LEU A 58 16.971 -8.484 0.988 1.00 0.67 H new ATOM 0 HD23 LEU A 58 18.418 -9.519 1.039 1.00 0.67 H new ATOM 922 N TYR A 59 19.750 -6.653 -1.430 1.00 0.12 N ATOM 923 CA TYR A 59 19.850 -5.566 -2.431 1.00 0.39 C ATOM 924 C TYR A 59 18.475 -4.980 -2.678 1.00 0.52 C ATOM 925 O TYR A 59 17.530 -5.676 -2.979 1.00 0.64 O ATOM 926 CB TYR A 59 20.442 -6.134 -3.703 1.00 0.62 C ATOM 927 CG TYR A 59 21.899 -6.439 -3.439 1.00 0.61 C ATOM 928 CD1 TYR A 59 22.451 -6.225 -2.154 1.00 0.47 C ATOM 929 CD2 TYR A 59 22.707 -6.926 -4.473 1.00 0.77 C ATOM 930 CE1 TYR A 59 23.804 -6.504 -1.927 1.00 0.56 C ATOM 931 CE2 TYR A 59 24.058 -7.204 -4.237 1.00 0.83 C ATOM 932 CZ TYR A 59 24.606 -6.994 -2.965 1.00 0.73 C ATOM 933 OH TYR A 59 25.938 -7.271 -2.737 1.00 0.85 O ATOM 0 H TYR A 59 19.557 -7.581 -1.807 1.00 0.12 H new ATOM 0 HA TYR A 59 20.496 -4.767 -2.069 1.00 0.39 H new ATOM 0 HB2 TYR A 59 19.911 -7.038 -4.001 1.00 0.62 H new ATOM 0 HB3 TYR A 59 20.343 -5.421 -4.522 1.00 0.62 H new ATOM 0 HD1 TYR A 59 21.832 -5.849 -1.353 1.00 0.47 H new ATOM 0 HD2 TYR A 59 22.287 -7.088 -5.455 1.00 0.77 H new ATOM 0 HE1 TYR A 59 24.230 -6.341 -0.948 1.00 0.56 H new ATOM 0 HE2 TYR A 59 24.679 -7.581 -5.036 1.00 0.83 H new ATOM 0 HH TYR A 59 26.349 -7.604 -3.562 1.00 0.85 H new ATOM 943 N ILE A 60 18.354 -3.700 -2.525 1.00 0.58 N ATOM 944 CA ILE A 60 17.036 -3.065 -2.707 1.00 0.78 C ATOM 945 C ILE A 60 16.858 -2.633 -4.158 1.00 0.99 C ATOM 946 O ILE A 60 17.458 -1.685 -4.613 1.00 0.93 O ATOM 947 CB ILE A 60 16.947 -1.851 -1.776 1.00 1.06 C ATOM 948 CG1 ILE A 60 17.845 -2.080 -0.549 1.00 1.66 C ATOM 949 CG2 ILE A 60 15.499 -1.655 -1.322 1.00 0.76 C ATOM 950 CD1 ILE A 60 19.205 -1.421 -0.788 1.00 2.42 C ATOM 0 H ILE A 60 19.115 -3.066 -2.281 1.00 0.58 H new ATOM 0 HA ILE A 60 16.245 -3.774 -2.464 1.00 0.78 H new ATOM 0 HB ILE A 60 17.280 -0.961 -2.309 1.00 1.06 H new ATOM 0 HG12 ILE A 60 17.377 -1.662 0.342 1.00 1.66 H new ATOM 0 HG13 ILE A 60 17.972 -3.148 -0.371 1.00 1.66 H new ATOM 0 HG21 ILE A 60 15.439 -0.791 -0.660 1.00 0.76 H new ATOM 0 HG22 ILE A 60 14.864 -1.490 -2.192 1.00 0.76 H new ATOM 0 HG23 ILE A 60 15.161 -2.544 -0.790 1.00 0.76 H new ATOM 0 HD11 ILE A 60 19.845 -1.581 0.080 1.00 2.42 H new ATOM 0 HD12 ILE A 60 19.672 -1.860 -1.669 1.00 2.42 H new ATOM 0 HD13 ILE A 60 19.068 -0.351 -0.945 1.00 2.42 H new ATOM 962 N ALA A 61 16.017 -3.320 -4.878 1.00 1.25 N ATOM 963 CA ALA A 61 15.763 -2.954 -6.296 1.00 1.47 C ATOM 964 C ALA A 61 14.394 -2.272 -6.367 1.00 1.53 C ATOM 965 O ALA A 61 13.378 -2.931 -6.315 1.00 1.32 O ATOM 966 CB ALA A 61 15.754 -4.218 -7.156 1.00 1.35 C ATOM 0 H ALA A 61 15.491 -4.126 -4.541 1.00 1.25 H new ATOM 0 HA ALA A 61 16.541 -2.285 -6.664 1.00 1.47 H new ATOM 0 HB1 ALA A 61 15.568 -3.949 -8.196 1.00 1.35 H new ATOM 0 HB2 ALA A 61 16.719 -4.718 -7.078 1.00 1.35 H new ATOM 0 HB3 ALA A 61 14.969 -4.889 -6.808 1.00 1.35 H new ATOM 1243 N LYS A 78 21.228 -1.207 5.912 1.00 0.73 N ATOM 1244 CA LYS A 78 21.928 -0.949 7.201 1.00 0.55 C ATOM 1245 C LYS A 78 20.924 -1.116 8.341 1.00 0.35 C ATOM 1246 O LYS A 78 20.606 -0.177 9.045 1.00 0.47 O ATOM 1247 CB LYS A 78 22.504 0.473 7.217 1.00 0.61 C ATOM 1248 CG LYS A 78 21.489 1.458 6.634 1.00 3.25 C ATOM 1249 CD LYS A 78 22.233 2.687 6.105 1.00 3.69 C ATOM 1250 CE LYS A 78 21.338 3.451 5.129 1.00 4.20 C ATOM 1251 NZ LYS A 78 22.092 4.606 4.565 1.00 5.50 N ATOM 0 HA LYS A 78 22.751 -1.654 7.320 1.00 0.55 H new ATOM 0 HB2 LYS A 78 22.756 0.760 8.238 1.00 0.61 H new ATOM 0 HB3 LYS A 78 23.428 0.506 6.639 1.00 0.61 H new ATOM 0 HG2 LYS A 78 20.924 0.985 5.830 1.00 3.25 H new ATOM 0 HG3 LYS A 78 20.770 1.753 7.398 1.00 3.25 H new ATOM 0 HD2 LYS A 78 22.520 3.335 6.933 1.00 3.69 H new ATOM 0 HD3 LYS A 78 23.153 2.381 5.606 1.00 3.69 H new ATOM 0 HE2 LYS A 78 21.010 2.790 4.327 1.00 4.20 H new ATOM 0 HE3 LYS A 78 20.441 3.802 5.640 1.00 4.20 H new ATOM 0 HZ1 LYS A 78 21.484 5.126 3.901 1.00 5.50 H new ATOM 0 HZ2 LYS A 78 22.384 5.240 5.336 1.00 5.50 H new ATOM 0 HZ3 LYS A 78 22.935 4.259 4.064 1.00 5.50 H new ATOM 1265 N LEU A 79 20.411 -2.308 8.519 1.00 0.24 N ATOM 1266 CA LEU A 79 19.408 -2.530 9.619 1.00 0.25 C ATOM 1267 C LEU A 79 20.049 -2.229 10.982 1.00 0.17 C ATOM 1268 O LEU A 79 21.245 -2.332 11.156 1.00 0.10 O ATOM 1269 CB LEU A 79 18.931 -3.994 9.604 1.00 0.37 C ATOM 1270 CG LEU A 79 18.983 -4.571 8.187 1.00 0.38 C ATOM 1271 CD1 LEU A 79 18.251 -5.914 8.166 1.00 1.92 C ATOM 1272 CD2 LEU A 79 18.300 -3.606 7.215 1.00 1.55 C ATOM 0 H LEU A 79 20.636 -3.131 7.960 1.00 0.24 H new ATOM 0 HA LEU A 79 18.560 -1.864 9.458 1.00 0.25 H new ATOM 0 HB2 LEU A 79 19.557 -4.591 10.267 1.00 0.37 H new ATOM 0 HB3 LEU A 79 17.912 -4.053 9.988 1.00 0.37 H new ATOM 0 HG LEU A 79 20.022 -4.711 7.887 1.00 0.38 H new ATOM 0 HD11 LEU A 79 18.284 -6.331 7.159 1.00 1.92 H new ATOM 0 HD12 LEU A 79 18.734 -6.602 8.860 1.00 1.92 H new ATOM 0 HD13 LEU A 79 17.213 -5.767 8.464 1.00 1.92 H new ATOM 0 HD21 LEU A 79 18.338 -4.018 6.207 1.00 1.55 H new ATOM 0 HD22 LEU A 79 17.260 -3.466 7.511 1.00 1.55 H new ATOM 0 HD23 LEU A 79 18.815 -2.645 7.234 1.00 1.55 H new ATOM 1284 N LEU A 80 19.255 -1.856 11.953 1.00 0.26 N ATOM 1285 CA LEU A 80 19.816 -1.559 13.309 1.00 0.28 C ATOM 1286 C LEU A 80 19.415 -2.683 14.274 1.00 0.33 C ATOM 1287 O LEU A 80 18.258 -3.016 14.395 1.00 0.34 O ATOM 1288 CB LEU A 80 19.253 -0.227 13.817 1.00 0.39 C ATOM 1289 CG LEU A 80 20.402 0.671 14.279 1.00 0.79 C ATOM 1290 CD1 LEU A 80 20.097 2.123 13.905 1.00 0.94 C ATOM 1291 CD2 LEU A 80 20.559 0.558 15.798 1.00 1.09 C ATOM 0 H LEU A 80 18.245 -1.744 11.868 1.00 0.26 H new ATOM 0 HA LEU A 80 20.902 -1.492 13.250 1.00 0.28 H new ATOM 0 HB2 LEU A 80 18.688 0.266 13.026 1.00 0.39 H new ATOM 0 HB3 LEU A 80 18.561 -0.403 14.641 1.00 0.39 H new ATOM 0 HG LEU A 80 21.326 0.357 13.793 1.00 0.79 H new ATOM 0 HD11 LEU A 80 20.916 2.763 14.234 1.00 0.94 H new ATOM 0 HD12 LEU A 80 19.985 2.204 12.824 1.00 0.94 H new ATOM 0 HD13 LEU A 80 19.173 2.437 14.390 1.00 0.94 H new ATOM 0 HD21 LEU A 80 21.378 1.198 16.128 1.00 1.09 H new ATOM 0 HD22 LEU A 80 19.635 0.872 16.284 1.00 1.09 H new ATOM 0 HD23 LEU A 80 20.776 -0.476 16.065 1.00 1.09 H new ATOM 1303 N LEU A 81 20.360 -3.273 14.959 1.00 0.37 N ATOM 1304 CA LEU A 81 20.028 -4.366 15.904 1.00 0.42 C ATOM 1305 C LEU A 81 20.462 -3.991 17.295 1.00 0.47 C ATOM 1306 O LEU A 81 21.613 -3.664 17.516 1.00 0.43 O ATOM 1307 CB LEU A 81 20.802 -5.639 15.552 1.00 0.45 C ATOM 1308 CG LEU A 81 19.895 -6.591 14.773 1.00 0.44 C ATOM 1309 CD1 LEU A 81 20.683 -7.833 14.353 1.00 0.51 C ATOM 1310 CD2 LEU A 81 18.718 -7.006 15.657 1.00 0.31 C ATOM 0 H LEU A 81 21.351 -3.039 14.900 1.00 0.37 H new ATOM 0 HA LEU A 81 18.952 -4.530 15.844 1.00 0.42 H new ATOM 0 HB2 LEU A 81 21.681 -5.390 14.957 1.00 0.45 H new ATOM 0 HB3 LEU A 81 21.159 -6.123 16.461 1.00 0.45 H new ATOM 0 HG LEU A 81 19.523 -6.086 13.881 1.00 0.44 H new ATOM 0 HD11 LEU A 81 20.031 -8.507 13.798 1.00 0.51 H new ATOM 0 HD12 LEU A 81 21.520 -7.536 13.721 1.00 0.51 H new ATOM 0 HD13 LEU A 81 21.061 -8.342 15.240 1.00 0.51 H new ATOM 0 HD21 LEU A 81 18.069 -7.685 15.104 1.00 0.31 H new ATOM 0 HD22 LEU A 81 19.092 -7.508 16.549 1.00 0.31 H new ATOM 0 HD23 LEU A 81 18.152 -6.121 15.949 1.00 0.31 H new ATOM 1322 N HIS A 82 19.599 -4.128 18.251 1.00 0.58 N ATOM 1323 CA HIS A 82 20.063 -3.888 19.630 1.00 0.65 C ATOM 1324 C HIS A 82 21.295 -4.778 19.691 1.00 0.65 C ATOM 1325 O HIS A 82 21.281 -5.872 19.165 1.00 0.66 O ATOM 1326 CB HIS A 82 19.002 -4.316 20.651 1.00 0.78 C ATOM 1327 CG HIS A 82 17.933 -3.258 20.734 1.00 0.75 C ATOM 1328 ND1 HIS A 82 17.219 -2.839 19.623 1.00 1.84 N ATOM 1329 CD2 HIS A 82 17.448 -2.523 21.789 1.00 1.22 C ATOM 1330 CE1 HIS A 82 16.352 -1.893 20.030 1.00 1.78 C ATOM 1331 NE2 HIS A 82 16.450 -1.662 21.341 1.00 1.14 N ATOM 0 H HIS A 82 18.619 -4.389 18.142 1.00 0.58 H new ATOM 0 HA HIS A 82 20.263 -2.842 19.863 1.00 0.65 H new ATOM 0 HB2 HIS A 82 18.563 -5.270 20.358 1.00 0.78 H new ATOM 0 HB3 HIS A 82 19.461 -4.463 21.629 1.00 0.78 H new ATOM 0 HD2 HIS A 82 17.789 -2.601 22.811 1.00 1.22 H new ATOM 0 HE1 HIS A 82 15.661 -1.383 19.375 1.00 1.78 H new ATOM 0 HE2 HIS A 82 15.910 -0.998 21.895 1.00 1.14 H new ATOM 1339 N LYS A 83 22.384 -4.316 20.193 1.00 0.64 N ATOM 1340 CA LYS A 83 23.606 -5.158 20.103 1.00 0.65 C ATOM 1341 C LYS A 83 23.421 -6.523 20.769 1.00 0.68 C ATOM 1342 O LYS A 83 23.985 -7.504 20.326 1.00 0.73 O ATOM 1343 CB LYS A 83 24.781 -4.427 20.748 1.00 0.65 C ATOM 1344 CG LYS A 83 26.068 -5.210 20.496 1.00 0.70 C ATOM 1345 CD LYS A 83 26.377 -6.105 21.701 1.00 0.85 C ATOM 1346 CE LYS A 83 26.984 -5.259 22.824 1.00 1.65 C ATOM 1347 NZ LYS A 83 28.073 -6.026 23.493 1.00 0.66 N ATOM 0 H LYS A 83 22.493 -3.413 20.655 1.00 0.64 H new ATOM 0 HA LYS A 83 23.805 -5.334 19.046 1.00 0.65 H new ATOM 0 HB2 LYS A 83 24.868 -3.422 20.336 1.00 0.65 H new ATOM 0 HB3 LYS A 83 24.612 -4.319 21.819 1.00 0.65 H new ATOM 0 HG2 LYS A 83 25.964 -5.818 19.597 1.00 0.70 H new ATOM 0 HG3 LYS A 83 26.895 -4.522 20.321 1.00 0.70 H new ATOM 0 HD2 LYS A 83 25.466 -6.591 22.049 1.00 0.85 H new ATOM 0 HD3 LYS A 83 27.069 -6.896 21.412 1.00 0.85 H new ATOM 0 HE2 LYS A 83 27.378 -4.327 22.419 1.00 1.65 H new ATOM 0 HE3 LYS A 83 26.215 -4.992 23.549 1.00 1.65 H new ATOM 0 HZ1 LYS A 83 28.485 -5.451 24.255 1.00 0.66 H new ATOM 0 HZ2 LYS A 83 27.684 -6.904 23.893 1.00 0.66 H new ATOM 0 HZ3 LYS A 83 28.811 -6.259 22.798 1.00 0.66 H new ATOM 1361 N HIS A 84 22.661 -6.624 21.816 1.00 0.67 N ATOM 1362 CA HIS A 84 22.501 -7.963 22.447 1.00 0.69 C ATOM 1363 C HIS A 84 21.965 -8.945 21.397 1.00 0.61 C ATOM 1364 O HIS A 84 22.358 -10.094 21.345 1.00 0.69 O ATOM 1365 CB HIS A 84 21.521 -7.872 23.623 1.00 0.67 C ATOM 1366 CG HIS A 84 22.285 -7.774 24.916 1.00 0.92 C ATOM 1367 ND1 HIS A 84 23.519 -8.381 25.101 1.00 1.72 N ATOM 1368 CD2 HIS A 84 22.000 -7.144 26.103 1.00 2.72 C ATOM 1369 CE1 HIS A 84 23.924 -8.105 26.354 1.00 1.25 C ATOM 1370 NE2 HIS A 84 23.035 -7.355 27.009 1.00 2.01 N ATOM 0 H HIS A 84 22.152 -5.858 22.257 1.00 0.67 H new ATOM 0 HA HIS A 84 23.464 -8.311 22.820 1.00 0.69 H new ATOM 0 HB2 HIS A 84 20.876 -7.002 23.504 1.00 0.67 H new ATOM 0 HB3 HIS A 84 20.874 -8.749 23.638 1.00 0.67 H new ATOM 0 HD2 HIS A 84 21.107 -6.571 26.303 1.00 2.72 H new ATOM 0 HE1 HIS A 84 24.856 -8.449 26.779 1.00 1.25 H new ATOM 0 HE2 HIS A 84 23.100 -7.011 27.967 1.00 2.01 H new ATOM 1378 N GLU A 85 21.069 -8.496 20.559 1.00 0.50 N ATOM 1379 CA GLU A 85 20.493 -9.388 19.504 1.00 0.45 C ATOM 1380 C GLU A 85 21.504 -9.655 18.381 1.00 0.52 C ATOM 1381 O GLU A 85 21.512 -10.711 17.781 1.00 0.57 O ATOM 1382 CB GLU A 85 19.273 -8.704 18.884 1.00 0.36 C ATOM 1383 CG GLU A 85 18.196 -8.508 19.950 1.00 0.53 C ATOM 1384 CD GLU A 85 17.942 -9.835 20.671 1.00 0.76 C ATOM 1385 OE1 GLU A 85 17.739 -10.828 19.992 1.00 0.99 O ATOM 1386 OE2 GLU A 85 17.952 -9.833 21.891 1.00 2.19 O ATOM 0 H GLU A 85 20.707 -7.542 20.558 1.00 0.50 H new ATOM 0 HA GLU A 85 20.225 -10.334 19.975 1.00 0.45 H new ATOM 0 HB2 GLU A 85 19.560 -7.741 18.461 1.00 0.36 H new ATOM 0 HB3 GLU A 85 18.882 -9.308 18.065 1.00 0.36 H new ATOM 0 HG2 GLU A 85 18.511 -7.748 20.665 1.00 0.53 H new ATOM 0 HG3 GLU A 85 17.275 -8.150 19.490 1.00 0.53 H new ATOM 1393 N LEU A 86 22.301 -8.682 18.045 1.00 0.54 N ATOM 1394 CA LEU A 86 23.251 -8.844 16.904 1.00 0.62 C ATOM 1395 C LEU A 86 24.250 -10.000 17.100 1.00 0.53 C ATOM 1396 O LEU A 86 24.455 -10.798 16.206 1.00 0.58 O ATOM 1397 CB LEU A 86 24.021 -7.535 16.753 1.00 0.73 C ATOM 1398 CG LEU A 86 24.863 -7.595 15.489 1.00 0.80 C ATOM 1399 CD1 LEU A 86 24.801 -6.250 14.772 1.00 2.13 C ATOM 1400 CD2 LEU A 86 26.303 -7.903 15.874 1.00 0.92 C ATOM 0 H LEU A 86 22.338 -7.776 18.512 1.00 0.54 H new ATOM 0 HA LEU A 86 22.670 -9.086 16.014 1.00 0.62 H new ATOM 0 HB2 LEU A 86 23.328 -6.695 16.704 1.00 0.73 H new ATOM 0 HB3 LEU A 86 24.659 -7.372 17.622 1.00 0.73 H new ATOM 0 HG LEU A 86 24.483 -8.372 14.825 1.00 0.80 H new ATOM 0 HD11 LEU A 86 25.405 -6.293 13.866 1.00 2.13 H new ATOM 0 HD12 LEU A 86 23.767 -6.025 14.509 1.00 2.13 H new ATOM 0 HD13 LEU A 86 25.187 -5.470 15.428 1.00 2.13 H new ATOM 0 HD21 LEU A 86 26.918 -7.949 14.975 1.00 0.92 H new ATOM 0 HD22 LEU A 86 26.679 -7.119 16.532 1.00 0.92 H new ATOM 0 HD23 LEU A 86 26.344 -8.862 16.391 1.00 0.92 H new ATOM 1412 N ARG A 87 24.897 -10.087 18.225 1.00 0.43 N ATOM 1413 CA ARG A 87 25.905 -11.178 18.427 1.00 0.35 C ATOM 1414 C ARG A 87 25.254 -12.565 18.627 1.00 0.30 C ATOM 1415 O ARG A 87 25.843 -13.577 18.304 1.00 0.32 O ATOM 1416 CB ARG A 87 26.748 -10.850 19.662 1.00 0.28 C ATOM 1417 CG ARG A 87 28.170 -11.380 19.470 1.00 0.67 C ATOM 1418 CD ARG A 87 28.264 -12.802 20.027 1.00 1.80 C ATOM 1419 NE ARG A 87 28.302 -12.750 21.515 1.00 2.31 N ATOM 1420 CZ ARG A 87 28.059 -13.826 22.212 1.00 2.50 C ATOM 1421 NH1 ARG A 87 26.895 -14.409 22.126 1.00 2.56 N ATOM 1422 NH2 ARG A 87 28.981 -14.320 22.994 1.00 3.00 N ATOM 0 H ARG A 87 24.777 -9.455 19.016 1.00 0.43 H new ATOM 0 HA ARG A 87 26.516 -11.228 17.526 1.00 0.35 H new ATOM 0 HB2 ARG A 87 26.770 -9.772 19.824 1.00 0.28 H new ATOM 0 HB3 ARG A 87 26.300 -11.297 20.550 1.00 0.28 H new ATOM 0 HG2 ARG A 87 28.432 -11.374 18.412 1.00 0.67 H new ATOM 0 HG3 ARG A 87 28.883 -10.731 19.978 1.00 0.67 H new ATOM 0 HD2 ARG A 87 27.410 -13.392 19.695 1.00 1.80 H new ATOM 0 HD3 ARG A 87 29.159 -13.295 19.647 1.00 1.80 H new ATOM 0 HE ARG A 87 28.518 -11.873 21.989 1.00 2.31 H new ATOM 0 HH11 ARG A 87 26.176 -14.024 21.514 1.00 2.56 H new ATOM 0 HH12 ARG A 87 26.704 -15.250 22.671 1.00 2.56 H new ATOM 0 HH21 ARG A 87 29.891 -13.865 23.060 1.00 3.00 H new ATOM 0 HH22 ARG A 87 28.791 -15.161 23.539 1.00 3.00 H new ATOM 1436 N ARG A 88 24.091 -12.634 19.217 1.00 0.27 N ATOM 1437 CA ARG A 88 23.462 -13.971 19.507 1.00 0.24 C ATOM 1438 C ARG A 88 23.009 -14.747 18.248 1.00 0.26 C ATOM 1439 O ARG A 88 23.250 -15.932 18.139 1.00 0.27 O ATOM 1440 CB ARG A 88 22.250 -13.750 20.411 1.00 0.19 C ATOM 1441 CG ARG A 88 22.681 -13.858 21.875 1.00 1.82 C ATOM 1442 CD ARG A 88 23.309 -15.232 22.123 1.00 1.80 C ATOM 1443 NE ARG A 88 22.581 -15.923 23.224 1.00 1.30 N ATOM 1444 CZ ARG A 88 23.169 -16.873 23.900 1.00 1.93 C ATOM 1445 NH1 ARG A 88 24.257 -16.616 24.573 1.00 2.74 N ATOM 1446 NH2 ARG A 88 22.667 -18.078 23.905 1.00 2.14 N ATOM 0 H ARG A 88 23.543 -11.826 19.514 1.00 0.27 H new ATOM 0 HA ARG A 88 24.230 -14.581 19.984 1.00 0.24 H new ATOM 0 HB2 ARG A 88 21.814 -12.769 20.220 1.00 0.19 H new ATOM 0 HB3 ARG A 88 21.480 -14.489 20.192 1.00 0.19 H new ATOM 0 HG2 ARG A 88 23.397 -13.071 22.113 1.00 1.82 H new ATOM 0 HG3 ARG A 88 21.821 -13.716 22.530 1.00 1.82 H new ATOM 0 HD2 ARG A 88 23.267 -15.831 21.214 1.00 1.80 H new ATOM 0 HD3 ARG A 88 24.362 -15.120 22.383 1.00 1.80 H new ATOM 0 HE ARG A 88 21.623 -15.654 23.450 1.00 1.30 H new ATOM 0 HH11 ARG A 88 24.647 -15.674 24.571 1.00 2.74 H new ATOM 0 HH12 ARG A 88 24.717 -17.357 25.101 1.00 2.74 H new ATOM 0 HH21 ARG A 88 21.815 -18.278 23.381 1.00 2.14 H new ATOM 0 HH22 ARG A 88 23.127 -18.820 24.433 1.00 2.14 H new ATOM 1460 N LEU A 89 22.320 -14.129 17.330 1.00 0.23 N ATOM 1461 CA LEU A 89 21.825 -14.892 16.129 1.00 0.24 C ATOM 1462 C LEU A 89 22.963 -15.182 15.151 1.00 0.23 C ATOM 1463 O LEU A 89 23.083 -16.267 14.617 1.00 0.26 O ATOM 1464 CB LEU A 89 20.747 -14.042 15.442 1.00 0.19 C ATOM 1465 CG LEU A 89 20.655 -14.315 13.924 1.00 0.18 C ATOM 1466 CD1 LEU A 89 21.864 -13.735 13.168 1.00 0.33 C ATOM 1467 CD2 LEU A 89 20.579 -15.819 13.693 1.00 0.34 C ATOM 0 H LEU A 89 22.075 -13.139 17.350 1.00 0.23 H new ATOM 0 HA LEU A 89 21.416 -15.851 16.449 1.00 0.24 H new ATOM 0 HB2 LEU A 89 19.781 -14.245 15.903 1.00 0.19 H new ATOM 0 HB3 LEU A 89 20.963 -12.986 15.605 1.00 0.19 H new ATOM 0 HG LEU A 89 19.759 -13.826 13.541 1.00 0.18 H new ATOM 0 HD11 LEU A 89 21.763 -13.947 12.104 1.00 0.33 H new ATOM 0 HD12 LEU A 89 21.905 -12.657 13.321 1.00 0.33 H new ATOM 0 HD13 LEU A 89 22.780 -14.190 13.544 1.00 0.33 H new ATOM 0 HD21 LEU A 89 20.514 -16.020 12.624 1.00 0.34 H new ATOM 0 HD22 LEU A 89 21.472 -16.295 14.098 1.00 0.34 H new ATOM 0 HD23 LEU A 89 19.697 -16.220 14.192 1.00 0.34 H new ATOM 1479 N LEU A 90 23.767 -14.202 14.886 1.00 0.21 N ATOM 1480 CA LEU A 90 24.878 -14.356 13.911 1.00 0.20 C ATOM 1481 C LEU A 90 25.876 -15.415 14.395 1.00 0.17 C ATOM 1482 O LEU A 90 26.523 -16.076 13.610 1.00 0.20 O ATOM 1483 CB LEU A 90 25.542 -12.981 13.728 1.00 0.26 C ATOM 1484 CG LEU A 90 26.934 -13.114 13.090 1.00 0.31 C ATOM 1485 CD1 LEU A 90 27.942 -13.621 14.125 1.00 0.27 C ATOM 1486 CD2 LEU A 90 26.868 -14.087 11.915 1.00 0.31 C ATOM 0 H LEU A 90 23.702 -13.278 15.312 1.00 0.21 H new ATOM 0 HA LEU A 90 24.500 -14.703 12.949 1.00 0.20 H new ATOM 0 HB2 LEU A 90 24.911 -12.351 13.101 1.00 0.26 H new ATOM 0 HB3 LEU A 90 25.628 -12.485 14.695 1.00 0.26 H new ATOM 0 HG LEU A 90 27.256 -12.136 12.733 1.00 0.31 H new ATOM 0 HD11 LEU A 90 28.925 -13.711 13.662 1.00 0.27 H new ATOM 0 HD12 LEU A 90 27.996 -12.917 14.956 1.00 0.27 H new ATOM 0 HD13 LEU A 90 27.624 -14.596 14.495 1.00 0.27 H new ATOM 0 HD21 LEU A 90 27.856 -14.180 11.464 1.00 0.31 H new ATOM 0 HD22 LEU A 90 26.537 -15.063 12.269 1.00 0.31 H new ATOM 0 HD23 LEU A 90 26.164 -13.713 11.172 1.00 0.31 H new ATOM 1498 N GLY A 91 26.041 -15.550 15.680 1.00 0.19 N ATOM 1499 CA GLY A 91 27.040 -16.523 16.213 1.00 0.26 C ATOM 1500 C GLY A 91 26.788 -17.967 15.736 1.00 0.34 C ATOM 1501 O GLY A 91 27.699 -18.771 15.748 1.00 0.41 O ATOM 0 H GLY A 91 25.526 -15.027 16.389 1.00 0.19 H new ATOM 0 HA2 GLY A 91 28.039 -16.214 15.906 1.00 0.26 H new ATOM 0 HA3 GLY A 91 27.019 -16.497 17.302 1.00 0.26 H new ATOM 1505 N LYS A 92 25.599 -18.344 15.325 1.00 0.36 N ATOM 1506 CA LYS A 92 25.431 -19.765 14.888 1.00 0.47 C ATOM 1507 C LYS A 92 25.785 -19.925 13.401 1.00 0.46 C ATOM 1508 O LYS A 92 26.343 -20.927 12.999 1.00 0.56 O ATOM 1509 CB LYS A 92 23.992 -20.224 15.117 1.00 0.55 C ATOM 1510 CG LYS A 92 23.907 -20.988 16.437 1.00 1.04 C ATOM 1511 CD LYS A 92 24.595 -22.347 16.275 1.00 1.84 C ATOM 1512 CE LYS A 92 25.556 -22.579 17.441 1.00 1.10 C ATOM 1513 NZ LYS A 92 24.791 -22.595 18.720 1.00 0.74 N ATOM 0 H LYS A 92 24.768 -17.755 15.274 1.00 0.36 H new ATOM 0 HA LYS A 92 26.107 -20.380 15.481 1.00 0.47 H new ATOM 0 HB2 LYS A 92 23.323 -19.364 15.138 1.00 0.55 H new ATOM 0 HB3 LYS A 92 23.666 -20.860 14.294 1.00 0.55 H new ATOM 0 HG2 LYS A 92 24.385 -20.417 17.233 1.00 1.04 H new ATOM 0 HG3 LYS A 92 22.865 -21.126 16.725 1.00 1.04 H new ATOM 0 HD2 LYS A 92 23.849 -23.141 16.242 1.00 1.84 H new ATOM 0 HD3 LYS A 92 25.139 -22.380 15.331 1.00 1.84 H new ATOM 0 HE2 LYS A 92 26.084 -23.523 17.309 1.00 1.10 H new ATOM 0 HE3 LYS A 92 26.311 -21.793 17.466 1.00 1.10 H new ATOM 0 HZ1 LYS A 92 25.344 -23.090 19.449 1.00 0.74 H new ATOM 0 HZ2 LYS A 92 24.608 -21.618 19.027 1.00 0.74 H new ATOM 0 HZ3 LYS A 92 23.887 -23.088 18.577 1.00 0.74 H new ATOM 1527 N VAL A 93 25.454 -18.964 12.581 1.00 0.35 N ATOM 1528 CA VAL A 93 25.759 -19.081 11.129 1.00 0.39 C ATOM 1529 C VAL A 93 27.268 -19.139 10.885 1.00 0.53 C ATOM 1530 O VAL A 93 27.739 -19.773 9.962 1.00 0.62 O ATOM 1531 CB VAL A 93 25.207 -17.857 10.413 1.00 0.30 C ATOM 1532 CG1 VAL A 93 23.694 -17.965 10.296 1.00 0.18 C ATOM 1533 CG2 VAL A 93 25.562 -16.597 11.198 1.00 0.25 C ATOM 0 H VAL A 93 24.984 -18.101 12.857 1.00 0.35 H new ATOM 0 HA VAL A 93 25.305 -19.998 10.754 1.00 0.39 H new ATOM 0 HB VAL A 93 25.645 -17.802 9.416 1.00 0.30 H new ATOM 0 HG11 VAL A 93 23.305 -17.086 9.783 1.00 0.18 H new ATOM 0 HG12 VAL A 93 23.436 -18.860 9.730 1.00 0.18 H new ATOM 0 HG13 VAL A 93 23.256 -18.027 11.292 1.00 0.18 H new ATOM 0 HG21 VAL A 93 25.165 -15.723 10.682 1.00 0.25 H new ATOM 0 HG22 VAL A 93 25.129 -16.656 12.197 1.00 0.25 H new ATOM 0 HG23 VAL A 93 26.646 -16.511 11.277 1.00 0.25 H new ATOM 1543 N GLU A 94 28.015 -18.448 11.685 1.00 0.58 N ATOM 1544 CA GLU A 94 29.497 -18.409 11.503 1.00 0.75 C ATOM 1545 C GLU A 94 30.088 -19.823 11.504 1.00 0.87 C ATOM 1546 O GLU A 94 31.192 -20.039 11.042 1.00 1.05 O ATOM 1547 CB GLU A 94 30.118 -17.606 12.646 1.00 0.79 C ATOM 1548 CG GLU A 94 31.639 -17.610 12.501 1.00 0.40 C ATOM 1549 CD GLU A 94 32.211 -18.853 13.185 1.00 1.83 C ATOM 1550 OE1 GLU A 94 31.736 -19.188 14.256 1.00 2.60 O ATOM 1551 OE2 GLU A 94 33.115 -19.450 12.622 1.00 2.67 O ATOM 0 H GLU A 94 27.665 -17.899 12.470 1.00 0.58 H new ATOM 0 HA GLU A 94 29.718 -17.942 10.543 1.00 0.75 H new ATOM 0 HB2 GLU A 94 29.743 -16.583 12.632 1.00 0.79 H new ATOM 0 HB3 GLU A 94 29.832 -18.037 13.605 1.00 0.79 H new ATOM 0 HG2 GLU A 94 31.915 -17.602 11.447 1.00 0.40 H new ATOM 0 HG3 GLU A 94 32.060 -16.709 12.947 1.00 0.40 H new ATOM 1558 N GLN A 95 29.376 -20.787 12.013 1.00 0.83 N ATOM 1559 CA GLN A 95 29.919 -22.175 12.031 1.00 1.01 C ATOM 1560 C GLN A 95 30.507 -22.513 10.657 1.00 1.07 C ATOM 1561 O GLN A 95 31.685 -22.336 10.413 1.00 1.28 O ATOM 1562 CB GLN A 95 28.793 -23.156 12.364 1.00 0.99 C ATOM 1563 CG GLN A 95 28.682 -23.309 13.883 1.00 1.16 C ATOM 1564 CD GLN A 95 29.694 -24.350 14.366 1.00 2.75 C ATOM 1565 OE1 GLN A 95 30.867 -24.259 14.063 1.00 4.11 O ATOM 1566 NE2 GLN A 95 29.287 -25.339 15.113 1.00 3.59 N ATOM 0 H GLN A 95 28.446 -20.677 12.416 1.00 0.83 H new ATOM 0 HA GLN A 95 30.702 -22.251 12.786 1.00 1.01 H new ATOM 0 HB2 GLN A 95 27.849 -22.796 11.954 1.00 0.99 H new ATOM 0 HB3 GLN A 95 28.992 -24.124 11.904 1.00 0.99 H new ATOM 0 HG2 GLN A 95 28.868 -22.352 14.370 1.00 1.16 H new ATOM 0 HG3 GLN A 95 27.672 -23.614 14.156 1.00 1.16 H new ATOM 0 HE21 GLN A 95 28.302 -25.415 15.367 1.00 3.59 H new ATOM 0 HE22 GLN A 95 29.954 -26.037 15.443 1.00 3.59 H new ATOM 1575 N LYS A 96 29.695 -22.996 9.757 1.00 0.91 N ATOM 1576 CA LYS A 96 30.197 -23.345 8.396 1.00 0.96 C ATOM 1577 C LYS A 96 29.072 -24.018 7.609 1.00 0.69 C ATOM 1578 O LYS A 96 28.673 -25.128 7.899 1.00 0.85 O ATOM 1579 CB LYS A 96 31.394 -24.297 8.501 1.00 1.36 C ATOM 1580 CG LYS A 96 31.164 -25.316 9.621 1.00 1.77 C ATOM 1581 CD LYS A 96 32.514 -25.720 10.218 1.00 2.15 C ATOM 1582 CE LYS A 96 32.309 -26.249 11.638 1.00 3.10 C ATOM 1583 NZ LYS A 96 30.904 -26.722 11.796 1.00 4.58 N ATOM 0 H LYS A 96 28.700 -23.165 9.906 1.00 0.91 H new ATOM 0 HA LYS A 96 30.517 -22.437 7.885 1.00 0.96 H new ATOM 0 HB2 LYS A 96 31.540 -24.815 7.553 1.00 1.36 H new ATOM 0 HB3 LYS A 96 32.303 -23.729 8.698 1.00 1.36 H new ATOM 0 HG2 LYS A 96 30.525 -24.888 10.393 1.00 1.77 H new ATOM 0 HG3 LYS A 96 30.648 -26.193 9.231 1.00 1.77 H new ATOM 0 HD2 LYS A 96 32.983 -26.484 9.598 1.00 2.15 H new ATOM 0 HD3 LYS A 96 33.188 -24.863 10.232 1.00 2.15 H new ATOM 0 HE2 LYS A 96 33.003 -27.066 11.837 1.00 3.10 H new ATOM 0 HE3 LYS A 96 32.523 -25.465 12.364 1.00 3.10 H new ATOM 0 HZ1 LYS A 96 30.836 -27.333 12.635 1.00 4.58 H new ATOM 0 HZ2 LYS A 96 30.273 -25.903 11.911 1.00 4.58 H new ATOM 0 HZ3 LYS A 96 30.622 -27.261 10.952 1.00 4.58 H new ATOM 1597 N GLY A 97 28.550 -23.348 6.619 1.00 0.41 N ATOM 1598 CA GLY A 97 27.441 -23.940 5.821 1.00 0.23 C ATOM 1599 C GLY A 97 26.120 -23.312 6.268 1.00 0.24 C ATOM 1600 O GLY A 97 25.050 -23.784 5.939 1.00 0.28 O ATOM 0 H GLY A 97 28.844 -22.416 6.328 1.00 0.41 H new ATOM 0 HA2 GLY A 97 27.603 -23.760 4.758 1.00 0.23 H new ATOM 0 HA3 GLY A 97 27.411 -25.021 5.961 1.00 0.23 H new ATOM 1604 N LEU A 98 26.192 -22.245 7.018 1.00 0.22 N ATOM 1605 CA LEU A 98 24.951 -21.571 7.497 1.00 0.25 C ATOM 1606 C LEU A 98 24.869 -20.173 6.903 1.00 0.27 C ATOM 1607 O LEU A 98 25.875 -19.563 6.598 1.00 0.25 O ATOM 1608 CB LEU A 98 24.994 -21.395 9.007 1.00 0.21 C ATOM 1609 CG LEU A 98 24.594 -22.679 9.707 1.00 0.21 C ATOM 1610 CD1 LEU A 98 25.109 -23.882 8.912 1.00 0.26 C ATOM 1611 CD2 LEU A 98 25.199 -22.697 11.112 1.00 0.37 C ATOM 0 H LEU A 98 27.063 -21.809 7.321 1.00 0.22 H new ATOM 0 HA LEU A 98 24.101 -22.185 7.201 1.00 0.25 H new ATOM 0 HB2 LEU A 98 25.998 -21.104 9.316 1.00 0.21 H new ATOM 0 HB3 LEU A 98 24.323 -20.589 9.304 1.00 0.21 H new ATOM 0 HG LEU A 98 23.507 -22.733 9.775 1.00 0.21 H new ATOM 0 HD11 LEU A 98 24.820 -24.803 9.418 1.00 0.26 H new ATOM 0 HD12 LEU A 98 24.679 -23.867 7.911 1.00 0.26 H new ATOM 0 HD13 LEU A 98 26.196 -23.833 8.841 1.00 0.26 H new ATOM 0 HD21 LEU A 98 24.914 -23.619 11.619 1.00 0.37 H new ATOM 0 HD22 LEU A 98 26.285 -22.643 11.041 1.00 0.37 H new ATOM 0 HD23 LEU A 98 24.829 -21.842 11.678 1.00 0.37 H new ATOM 1623 N THR A 99 23.694 -19.639 6.765 1.00 0.32 N ATOM 1624 CA THR A 99 23.598 -18.256 6.223 1.00 0.35 C ATOM 1625 C THR A 99 22.877 -17.357 7.217 1.00 0.35 C ATOM 1626 O THR A 99 22.103 -17.807 8.040 1.00 0.50 O ATOM 1627 CB THR A 99 22.825 -18.251 4.900 1.00 0.38 C ATOM 1628 OG1 THR A 99 22.330 -19.556 4.638 1.00 0.39 O ATOM 1629 CG2 THR A 99 23.756 -17.816 3.765 1.00 0.35 C ATOM 0 H THR A 99 22.808 -20.088 6.998 1.00 0.32 H new ATOM 0 HA THR A 99 24.609 -17.885 6.053 1.00 0.35 H new ATOM 0 HB THR A 99 21.990 -17.554 4.968 1.00 0.38 H new ATOM 0 HG1 THR A 99 21.834 -19.554 3.793 1.00 0.39 H new ATOM 0 HG21 THR A 99 23.206 -17.813 2.824 1.00 0.35 H new ATOM 0 HG22 THR A 99 24.134 -16.814 3.968 1.00 0.35 H new ATOM 0 HG23 THR A 99 24.592 -18.511 3.694 1.00 0.35 H new ATOM 1637 N LEU A 100 23.080 -16.078 7.100 1.00 0.32 N ATOM 1638 CA LEU A 100 22.374 -15.136 7.972 1.00 0.35 C ATOM 1639 C LEU A 100 21.579 -14.229 7.055 1.00 0.35 C ATOM 1640 O LEU A 100 22.077 -13.622 6.134 1.00 0.36 O ATOM 1641 CB LEU A 100 23.347 -14.323 8.829 1.00 0.37 C ATOM 1642 CG LEU A 100 24.771 -14.543 8.344 1.00 0.38 C ATOM 1643 CD1 LEU A 100 24.884 -13.977 6.943 1.00 0.27 C ATOM 1644 CD2 LEU A 100 25.735 -13.816 9.274 1.00 0.53 C ATOM 0 H LEU A 100 23.715 -15.650 6.426 1.00 0.32 H new ATOM 0 HA LEU A 100 21.727 -15.667 8.671 1.00 0.35 H new ATOM 0 HB2 LEU A 100 23.095 -13.264 8.776 1.00 0.37 H new ATOM 0 HB3 LEU A 100 23.260 -14.619 9.874 1.00 0.37 H new ATOM 0 HG LEU A 100 25.016 -15.605 8.339 1.00 0.38 H new ATOM 0 HD11 LEU A 100 25.899 -14.123 6.572 1.00 0.27 H new ATOM 0 HD12 LEU A 100 24.181 -14.489 6.286 1.00 0.27 H new ATOM 0 HD13 LEU A 100 24.654 -12.912 6.961 1.00 0.27 H new ATOM 0 HD21 LEU A 100 26.758 -13.971 8.931 1.00 0.53 H new ATOM 0 HD22 LEU A 100 25.509 -12.750 9.272 1.00 0.53 H new ATOM 0 HD23 LEU A 100 25.629 -14.207 10.286 1.00 0.53 H new ATOM 1656 N VAL A 101 20.338 -14.183 7.279 1.00 0.34 N ATOM 1657 CA VAL A 101 19.461 -13.368 6.412 1.00 0.34 C ATOM 1658 C VAL A 101 18.310 -12.763 7.228 1.00 0.30 C ATOM 1659 O VAL A 101 17.793 -13.403 8.118 1.00 0.32 O ATOM 1660 CB VAL A 101 18.906 -14.302 5.326 1.00 0.31 C ATOM 1661 CG1 VAL A 101 18.004 -15.348 5.977 1.00 0.55 C ATOM 1662 CG2 VAL A 101 18.097 -13.503 4.302 1.00 0.31 C ATOM 0 H VAL A 101 19.864 -14.677 8.035 1.00 0.34 H new ATOM 0 HA VAL A 101 20.019 -12.543 5.969 1.00 0.34 H new ATOM 0 HB VAL A 101 19.737 -14.790 4.817 1.00 0.31 H new ATOM 0 HG11 VAL A 101 17.607 -16.014 5.211 1.00 0.55 H new ATOM 0 HG12 VAL A 101 18.580 -15.927 6.698 1.00 0.55 H new ATOM 0 HG13 VAL A 101 17.180 -14.850 6.488 1.00 0.55 H new ATOM 0 HG21 VAL A 101 17.710 -14.177 3.538 1.00 0.31 H new ATOM 0 HG22 VAL A 101 17.266 -13.006 4.803 1.00 0.31 H new ATOM 0 HG23 VAL A 101 18.738 -12.756 3.835 1.00 0.31 H new ATOM 1672 N PRO A 102 17.915 -11.570 6.859 1.00 0.37 N ATOM 1673 CA PRO A 102 16.769 -10.871 7.481 1.00 0.39 C ATOM 1674 C PRO A 102 15.506 -11.436 6.794 1.00 0.45 C ATOM 1675 O PRO A 102 14.763 -10.734 6.138 1.00 0.69 O ATOM 1676 CB PRO A 102 16.987 -9.410 7.080 1.00 0.65 C ATOM 1677 CG PRO A 102 17.869 -9.442 5.807 1.00 0.77 C ATOM 1678 CD PRO A 102 18.588 -10.799 5.799 1.00 0.59 C ATOM 0 HA PRO A 102 16.674 -10.982 8.561 1.00 0.39 H new ATOM 0 HB2 PRO A 102 16.037 -8.914 6.883 1.00 0.65 H new ATOM 0 HB3 PRO A 102 17.477 -8.855 7.880 1.00 0.65 H new ATOM 0 HG2 PRO A 102 17.259 -9.322 4.911 1.00 0.77 H new ATOM 0 HG3 PRO A 102 18.589 -8.623 5.815 1.00 0.77 H new ATOM 0 HD2 PRO A 102 18.499 -11.291 4.831 1.00 0.59 H new ATOM 0 HD3 PRO A 102 19.653 -10.687 6.003 1.00 0.59 H new ATOM 1686 N LEU A 103 15.333 -12.727 6.880 1.00 0.35 N ATOM 1687 CA LEU A 103 14.219 -13.438 6.186 1.00 0.46 C ATOM 1688 C LEU A 103 12.934 -12.623 6.104 1.00 0.52 C ATOM 1689 O LEU A 103 12.232 -12.694 5.117 1.00 0.69 O ATOM 1690 CB LEU A 103 13.977 -14.789 6.884 1.00 0.66 C ATOM 1691 CG LEU A 103 13.025 -14.645 8.084 1.00 1.40 C ATOM 1692 CD1 LEU A 103 12.279 -15.964 8.304 1.00 1.61 C ATOM 1693 CD2 LEU A 103 13.837 -14.321 9.336 1.00 2.86 C ATOM 0 H LEU A 103 15.941 -13.340 7.423 1.00 0.35 H new ATOM 0 HA LEU A 103 14.523 -13.598 5.152 1.00 0.46 H new ATOM 0 HB2 LEU A 103 13.558 -15.498 6.170 1.00 0.66 H new ATOM 0 HB3 LEU A 103 14.928 -15.200 7.221 1.00 0.66 H new ATOM 0 HG LEU A 103 12.311 -13.845 7.886 1.00 1.40 H new ATOM 0 HD11 LEU A 103 11.604 -15.863 9.154 1.00 1.61 H new ATOM 0 HD12 LEU A 103 11.704 -16.210 7.411 1.00 1.61 H new ATOM 0 HD13 LEU A 103 12.997 -16.759 8.503 1.00 1.61 H new ATOM 0 HD21 LEU A 103 13.166 -14.218 10.189 1.00 2.86 H new ATOM 0 HD22 LEU A 103 14.547 -15.126 9.528 1.00 2.86 H new ATOM 0 HD23 LEU A 103 14.379 -13.387 9.186 1.00 2.86 H new ATOM 1705 N LYS A 104 12.583 -11.866 7.090 1.00 0.42 N ATOM 1706 CA LYS A 104 11.302 -11.118 6.945 1.00 0.49 C ATOM 1707 C LYS A 104 11.453 -9.657 7.336 1.00 0.45 C ATOM 1708 O LYS A 104 11.802 -9.327 8.444 1.00 0.42 O ATOM 1709 CB LYS A 104 10.241 -11.757 7.835 1.00 0.57 C ATOM 1710 CG LYS A 104 9.052 -12.198 6.979 1.00 0.17 C ATOM 1711 CD LYS A 104 7.764 -12.060 7.792 1.00 0.90 C ATOM 1712 CE LYS A 104 7.940 -12.762 9.138 1.00 1.43 C ATOM 1713 NZ LYS A 104 6.797 -13.689 9.365 1.00 1.56 N ATOM 0 H LYS A 104 13.097 -11.729 7.960 1.00 0.42 H new ATOM 0 HA LYS A 104 11.008 -11.163 5.896 1.00 0.49 H new ATOM 0 HB2 LYS A 104 10.661 -12.614 8.361 1.00 0.57 H new ATOM 0 HB3 LYS A 104 9.912 -11.047 8.594 1.00 0.57 H new ATOM 0 HG2 LYS A 104 8.993 -11.589 6.077 1.00 0.17 H new ATOM 0 HG3 LYS A 104 9.184 -13.231 6.658 1.00 0.17 H new ATOM 0 HD2 LYS A 104 7.528 -11.007 7.946 1.00 0.90 H new ATOM 0 HD3 LYS A 104 6.927 -12.498 7.247 1.00 0.90 H new ATOM 0 HE2 LYS A 104 8.879 -13.315 9.152 1.00 1.43 H new ATOM 0 HE3 LYS A 104 7.991 -12.026 9.941 1.00 1.43 H new ATOM 0 HZ1 LYS A 104 6.915 -14.168 10.281 1.00 1.56 H new ATOM 0 HZ2 LYS A 104 5.908 -13.150 9.368 1.00 1.56 H new ATOM 0 HZ3 LYS A 104 6.769 -14.398 8.605 1.00 1.56 H new ATOM 1727 N ILE A 105 11.139 -8.779 6.438 1.00 0.49 N ATOM 1728 CA ILE A 105 11.219 -7.330 6.769 1.00 0.50 C ATOM 1729 C ILE A 105 9.795 -6.758 6.819 1.00 0.60 C ATOM 1730 O ILE A 105 8.936 -7.151 6.059 1.00 1.24 O ATOM 1731 CB ILE A 105 12.065 -6.590 5.726 1.00 0.50 C ATOM 1732 CG1 ILE A 105 13.528 -6.602 6.185 1.00 0.42 C ATOM 1733 CG2 ILE A 105 11.576 -5.146 5.606 1.00 0.61 C ATOM 1734 CD1 ILE A 105 14.338 -5.519 5.456 1.00 0.43 C ATOM 0 H ILE A 105 10.831 -8.995 5.490 1.00 0.49 H new ATOM 0 HA ILE A 105 11.698 -7.198 7.739 1.00 0.50 H new ATOM 0 HB ILE A 105 11.976 -7.079 4.756 1.00 0.50 H new ATOM 0 HG12 ILE A 105 13.577 -6.437 7.261 1.00 0.42 H new ATOM 0 HG13 ILE A 105 13.966 -7.581 5.993 1.00 0.42 H new ATOM 0 HG21 ILE A 105 12.177 -4.619 4.865 1.00 0.61 H new ATOM 0 HG22 ILE A 105 10.531 -5.140 5.297 1.00 0.61 H new ATOM 0 HG23 ILE A 105 11.671 -4.648 6.571 1.00 0.61 H new ATOM 0 HD11 ILE A 105 15.373 -5.547 5.798 1.00 0.43 H new ATOM 0 HD12 ILE A 105 14.306 -5.702 4.382 1.00 0.43 H new ATOM 0 HD13 ILE A 105 13.911 -4.539 5.670 1.00 0.43 H new ATOM 1746 N TYR A 106 9.550 -5.834 7.711 1.00 0.21 N ATOM 1747 CA TYR A 106 8.190 -5.222 7.830 1.00 0.14 C ATOM 1748 C TYR A 106 8.357 -3.709 7.851 1.00 0.26 C ATOM 1749 O TYR A 106 9.447 -3.214 8.032 1.00 0.68 O ATOM 1750 CB TYR A 106 7.496 -5.687 9.109 1.00 0.13 C ATOM 1751 CG TYR A 106 6.010 -5.747 8.857 1.00 0.79 C ATOM 1752 CD1 TYR A 106 5.519 -6.435 7.740 1.00 1.55 C ATOM 1753 CD2 TYR A 106 5.123 -5.111 9.733 1.00 1.25 C ATOM 1754 CE1 TYR A 106 4.142 -6.487 7.500 1.00 2.30 C ATOM 1755 CE2 TYR A 106 3.744 -5.162 9.491 1.00 1.94 C ATOM 1756 CZ TYR A 106 3.254 -5.851 8.374 1.00 2.39 C ATOM 1757 OH TYR A 106 1.896 -5.902 8.135 1.00 3.19 O ATOM 0 H TYR A 106 10.240 -5.473 8.369 1.00 0.21 H new ATOM 0 HA TYR A 106 7.572 -5.529 6.986 1.00 0.14 H new ATOM 0 HB2 TYR A 106 7.869 -6.667 9.407 1.00 0.13 H new ATOM 0 HB3 TYR A 106 7.713 -5.001 9.928 1.00 0.13 H new ATOM 0 HD1 TYR A 106 6.204 -6.925 7.064 1.00 1.55 H new ATOM 0 HD2 TYR A 106 5.501 -4.581 10.595 1.00 1.25 H new ATOM 0 HE1 TYR A 106 3.764 -7.019 6.639 1.00 2.30 H new ATOM 0 HE2 TYR A 106 3.059 -4.670 10.166 1.00 1.94 H new ATOM 0 HH TYR A 106 1.422 -5.410 8.838 1.00 3.19 H new ATOM 1767 N PHE A 107 7.322 -2.963 7.598 1.00 0.33 N ATOM 1768 CA PHE A 107 7.518 -1.491 7.538 1.00 0.41 C ATOM 1769 C PHE A 107 6.421 -0.662 8.254 1.00 0.39 C ATOM 1770 O PHE A 107 5.268 -1.042 8.289 1.00 0.72 O ATOM 1771 CB PHE A 107 7.497 -1.111 6.061 1.00 1.00 C ATOM 1772 CG PHE A 107 6.354 -0.170 5.856 1.00 3.69 C ATOM 1773 CD1 PHE A 107 6.498 1.163 6.222 1.00 4.10 C ATOM 1774 CD2 PHE A 107 5.145 -0.637 5.332 1.00 5.85 C ATOM 1775 CE1 PHE A 107 5.419 2.045 6.062 1.00 6.68 C ATOM 1776 CE2 PHE A 107 4.070 0.239 5.171 1.00 8.43 C ATOM 1777 CZ PHE A 107 4.206 1.582 5.534 1.00 8.84 C ATOM 0 H PHE A 107 6.372 -3.296 7.434 1.00 0.33 H new ATOM 0 HA PHE A 107 8.454 -1.264 8.049 1.00 0.41 H new ATOM 0 HB2 PHE A 107 8.437 -0.641 5.773 1.00 1.00 H new ATOM 0 HB3 PHE A 107 7.380 -1.998 5.438 1.00 1.00 H new ATOM 0 HD1 PHE A 107 7.434 1.517 6.627 1.00 4.10 H new ATOM 0 HD2 PHE A 107 5.043 -1.675 5.052 1.00 5.85 H new ATOM 0 HE1 PHE A 107 5.523 3.082 6.346 1.00 6.68 H new ATOM 0 HE2 PHE A 107 3.135 -0.120 4.767 1.00 8.43 H new ATOM 0 HZ PHE A 107 3.377 2.262 5.408 1.00 8.84 H new ATOM 1787 N ASN A 108 6.774 0.537 8.725 1.00 0.15 N ATOM 1788 CA ASN A 108 5.749 1.467 9.319 1.00 0.34 C ATOM 1789 C ASN A 108 6.303 2.900 9.347 1.00 0.38 C ATOM 1790 O ASN A 108 7.471 3.127 9.579 1.00 0.31 O ATOM 1791 CB ASN A 108 5.342 1.037 10.725 1.00 0.38 C ATOM 1792 CG ASN A 108 3.913 0.491 10.704 1.00 0.56 C ATOM 1793 OD1 ASN A 108 3.567 -0.306 9.856 1.00 1.03 O ATOM 1794 ND2 ASN A 108 3.065 0.887 11.614 1.00 2.25 N ATOM 0 H ASN A 108 7.727 0.900 8.718 1.00 0.15 H new ATOM 0 HA ASN A 108 4.858 1.429 8.692 1.00 0.34 H new ATOM 0 HB2 ASN A 108 6.027 0.275 11.095 1.00 0.38 H new ATOM 0 HB3 ASN A 108 5.408 1.884 11.408 1.00 0.38 H new ATOM 0 HD21 ASN A 108 2.111 0.527 11.613 1.00 2.25 H new ATOM 0 HD22 ASN A 108 3.357 1.557 12.326 1.00 2.25 H new ATOM 1801 N GLU A 109 5.448 3.859 9.074 1.00 0.47 N ATOM 1802 CA GLU A 109 5.872 5.299 9.019 1.00 0.48 C ATOM 1803 C GLU A 109 6.304 5.827 10.383 1.00 0.46 C ATOM 1804 O GLU A 109 6.845 6.910 10.485 1.00 0.45 O ATOM 1805 CB GLU A 109 4.713 6.150 8.499 1.00 0.49 C ATOM 1806 CG GLU A 109 3.416 5.727 9.193 1.00 2.99 C ATOM 1807 CD GLU A 109 2.744 6.953 9.816 1.00 3.09 C ATOM 1808 OE1 GLU A 109 3.323 7.521 10.727 1.00 2.54 O ATOM 1809 OE2 GLU A 109 1.665 7.303 9.368 1.00 4.11 O ATOM 0 H GLU A 109 4.458 3.703 8.884 1.00 0.47 H new ATOM 0 HA GLU A 109 6.730 5.362 8.349 1.00 0.48 H new ATOM 0 HB2 GLU A 109 4.910 7.205 8.686 1.00 0.49 H new ATOM 0 HB3 GLU A 109 4.616 6.031 7.420 1.00 0.49 H new ATOM 0 HG2 GLU A 109 2.744 5.257 8.475 1.00 2.99 H new ATOM 0 HG3 GLU A 109 3.629 4.986 9.963 1.00 2.99 H new ATOM 1816 N ARG A 110 6.104 5.085 11.427 1.00 0.48 N ATOM 1817 CA ARG A 110 6.546 5.579 12.758 1.00 0.46 C ATOM 1818 C ARG A 110 8.043 5.298 12.912 1.00 0.41 C ATOM 1819 O ARG A 110 8.567 5.272 14.008 1.00 0.39 O ATOM 1820 CB ARG A 110 5.768 4.858 13.862 1.00 0.50 C ATOM 1821 CG ARG A 110 6.066 5.517 15.212 1.00 1.54 C ATOM 1822 CD ARG A 110 6.983 4.609 16.033 1.00 3.34 C ATOM 1823 NE ARG A 110 6.201 3.973 17.131 1.00 2.45 N ATOM 1824 CZ ARG A 110 6.800 3.207 18.000 1.00 3.23 C ATOM 1825 NH1 ARG A 110 7.774 3.683 18.727 1.00 4.56 N ATOM 1826 NH2 ARG A 110 6.426 1.965 18.144 1.00 2.91 N ATOM 0 H ARG A 110 5.659 4.167 11.422 1.00 0.48 H new ATOM 0 HA ARG A 110 6.359 6.650 12.838 1.00 0.46 H new ATOM 0 HB2 ARG A 110 4.699 4.899 13.654 1.00 0.50 H new ATOM 0 HB3 ARG A 110 6.048 3.805 13.890 1.00 0.50 H new ATOM 0 HG2 ARG A 110 6.540 6.487 15.058 1.00 1.54 H new ATOM 0 HG3 ARG A 110 5.137 5.698 15.753 1.00 1.54 H new ATOM 0 HD2 ARG A 110 7.421 3.843 15.393 1.00 3.34 H new ATOM 0 HD3 ARG A 110 7.808 5.188 16.448 1.00 3.34 H new ATOM 0 HE ARG A 110 5.197 4.137 17.203 1.00 2.45 H new ATOM 0 HH11 ARG A 110 8.066 4.654 18.615 1.00 4.56 H new ATOM 0 HH12 ARG A 110 8.243 3.084 19.407 1.00 4.56 H new ATOM 0 HH21 ARG A 110 5.665 1.593 17.577 1.00 2.91 H new ATOM 0 HH22 ARG A 110 6.895 1.367 18.824 1.00 2.91 H new ATOM 1840 N GLY A 111 8.730 5.053 11.823 1.00 0.37 N ATOM 1841 CA GLY A 111 10.176 4.738 11.916 1.00 0.30 C ATOM 1842 C GLY A 111 10.287 3.339 12.472 1.00 0.12 C ATOM 1843 O GLY A 111 11.250 2.985 13.122 1.00 0.20 O ATOM 0 H GLY A 111 8.346 5.059 10.878 1.00 0.37 H new ATOM 0 HA2 GLY A 111 10.649 4.802 10.936 1.00 0.30 H new ATOM 0 HA3 GLY A 111 10.686 5.452 12.563 1.00 0.30 H new ATOM 1847 N TYR A 112 9.299 2.528 12.217 1.00 0.09 N ATOM 1848 CA TYR A 112 9.361 1.156 12.732 1.00 0.21 C ATOM 1849 C TYR A 112 9.099 0.175 11.609 1.00 0.35 C ATOM 1850 O TYR A 112 7.983 -0.067 11.211 1.00 0.31 O ATOM 1851 CB TYR A 112 8.311 0.973 13.825 1.00 0.20 C ATOM 1852 CG TYR A 112 9.003 0.786 15.152 1.00 0.25 C ATOM 1853 CD1 TYR A 112 9.347 -0.498 15.589 1.00 0.75 C ATOM 1854 CD2 TYR A 112 9.301 1.900 15.946 1.00 0.21 C ATOM 1855 CE1 TYR A 112 9.991 -0.668 16.821 1.00 0.88 C ATOM 1856 CE2 TYR A 112 9.944 1.730 17.177 1.00 0.11 C ATOM 1857 CZ TYR A 112 10.290 0.445 17.614 1.00 0.49 C ATOM 1858 OH TYR A 112 10.924 0.276 18.828 1.00 0.63 O ATOM 0 H TYR A 112 8.465 2.763 11.679 1.00 0.09 H new ATOM 0 HA TYR A 112 10.352 0.972 13.146 1.00 0.21 H new ATOM 0 HB2 TYR A 112 7.654 1.842 13.863 1.00 0.20 H new ATOM 0 HB3 TYR A 112 7.685 0.109 13.603 1.00 0.20 H new ATOM 0 HD1 TYR A 112 9.116 -1.357 14.977 1.00 0.75 H new ATOM 0 HD2 TYR A 112 9.035 2.891 15.608 1.00 0.21 H new ATOM 0 HE1 TYR A 112 10.257 -1.659 17.159 1.00 0.88 H new ATOM 0 HE2 TYR A 112 10.173 2.589 17.790 1.00 0.11 H new ATOM 0 HH TYR A 112 11.058 1.150 19.251 1.00 0.63 H new ATOM 1868 N ALA A 113 10.124 -0.447 11.160 1.00 0.55 N ATOM 1869 CA ALA A 113 9.986 -1.488 10.131 1.00 0.70 C ATOM 1870 C ALA A 113 10.612 -2.690 10.823 1.00 0.70 C ATOM 1871 O ALA A 113 11.714 -2.600 11.322 1.00 0.93 O ATOM 1872 CB ALA A 113 10.716 -1.056 8.846 1.00 0.96 C ATOM 0 H ALA A 113 11.081 -0.276 11.469 1.00 0.55 H new ATOM 0 HA ALA A 113 8.969 -1.694 9.799 1.00 0.70 H new ATOM 0 HB1 ALA A 113 10.609 -1.832 8.088 1.00 0.96 H new ATOM 0 HB2 ALA A 113 10.283 -0.126 8.477 1.00 0.96 H new ATOM 0 HB3 ALA A 113 11.773 -0.903 9.062 1.00 0.96 H new ATOM 1878 N LYS A 114 9.909 -3.769 10.981 1.00 0.51 N ATOM 1879 CA LYS A 114 10.513 -4.868 11.793 1.00 0.49 C ATOM 1880 C LYS A 114 11.122 -5.963 10.941 1.00 0.51 C ATOM 1881 O LYS A 114 10.554 -6.435 9.984 1.00 0.61 O ATOM 1882 CB LYS A 114 9.447 -5.473 12.704 1.00 0.52 C ATOM 1883 CG LYS A 114 9.918 -5.370 14.157 1.00 1.18 C ATOM 1884 CD LYS A 114 8.996 -6.194 15.058 1.00 0.51 C ATOM 1885 CE LYS A 114 8.683 -5.397 16.325 1.00 1.92 C ATOM 1886 NZ LYS A 114 7.232 -5.059 16.352 1.00 1.14 N ATOM 0 H LYS A 114 8.978 -3.942 10.603 1.00 0.51 H new ATOM 0 HA LYS A 114 11.319 -4.427 12.379 1.00 0.49 H new ATOM 0 HB2 LYS A 114 8.500 -4.948 12.577 1.00 0.52 H new ATOM 0 HB3 LYS A 114 9.271 -6.515 12.438 1.00 0.52 H new ATOM 0 HG2 LYS A 114 10.943 -5.730 14.243 1.00 1.18 H new ATOM 0 HG3 LYS A 114 9.918 -4.328 14.476 1.00 1.18 H new ATOM 0 HD2 LYS A 114 8.074 -6.436 14.530 1.00 0.51 H new ATOM 0 HD3 LYS A 114 9.472 -7.139 15.318 1.00 0.51 H new ATOM 0 HE2 LYS A 114 8.949 -5.978 17.208 1.00 1.92 H new ATOM 0 HE3 LYS A 114 9.280 -4.486 16.351 1.00 1.92 H new ATOM 0 HZ1 LYS A 114 7.018 -4.517 17.213 1.00 1.14 H new ATOM 0 HZ2 LYS A 114 6.993 -4.489 15.516 1.00 1.14 H new ATOM 0 HZ3 LYS A 114 6.671 -5.935 16.346 1.00 1.14 H new ATOM 1900 N VAL A 115 12.300 -6.364 11.316 1.00 0.54 N ATOM 1901 CA VAL A 115 13.016 -7.420 10.564 1.00 0.60 C ATOM 1902 C VAL A 115 13.111 -8.702 11.392 1.00 0.62 C ATOM 1903 O VAL A 115 13.128 -8.681 12.606 1.00 0.97 O ATOM 1904 CB VAL A 115 14.426 -6.922 10.268 1.00 0.64 C ATOM 1905 CG1 VAL A 115 15.262 -8.061 9.685 1.00 0.81 C ATOM 1906 CG2 VAL A 115 14.357 -5.764 9.274 1.00 0.58 C ATOM 0 H VAL A 115 12.803 -5.998 12.124 1.00 0.54 H new ATOM 0 HA VAL A 115 12.474 -7.637 9.644 1.00 0.60 H new ATOM 0 HB VAL A 115 14.892 -6.576 11.191 1.00 0.64 H new ATOM 0 HG11 VAL A 115 16.269 -7.702 9.474 1.00 0.81 H new ATOM 0 HG12 VAL A 115 15.311 -8.880 10.402 1.00 0.81 H new ATOM 0 HG13 VAL A 115 14.802 -8.414 8.762 1.00 0.81 H new ATOM 0 HG21 VAL A 115 15.365 -5.407 9.061 1.00 0.58 H new ATOM 0 HG22 VAL A 115 13.890 -6.105 8.350 1.00 0.58 H new ATOM 0 HG23 VAL A 115 13.767 -4.953 9.701 1.00 0.58 H new ATOM 1916 N LEU A 116 13.208 -9.814 10.723 1.00 0.26 N ATOM 1917 CA LEU A 116 13.344 -11.117 11.416 1.00 0.24 C ATOM 1918 C LEU A 116 14.521 -11.835 10.766 1.00 0.25 C ATOM 1919 O LEU A 116 14.647 -11.861 9.559 1.00 0.24 O ATOM 1920 CB LEU A 116 12.062 -11.942 11.250 1.00 0.24 C ATOM 1921 CG LEU A 116 12.068 -13.099 12.251 1.00 0.62 C ATOM 1922 CD1 LEU A 116 11.386 -12.654 13.547 1.00 1.34 C ATOM 1923 CD2 LEU A 116 11.310 -14.293 11.664 1.00 1.22 C ATOM 0 H LEU A 116 13.198 -9.873 9.705 1.00 0.26 H new ATOM 0 HA LEU A 116 13.510 -10.979 12.484 1.00 0.24 H new ATOM 0 HB2 LEU A 116 11.188 -11.312 11.411 1.00 0.24 H new ATOM 0 HB3 LEU A 116 11.994 -12.327 10.233 1.00 0.24 H new ATOM 0 HG LEU A 116 13.098 -13.390 12.459 1.00 0.62 H new ATOM 0 HD11 LEU A 116 11.389 -13.477 14.261 1.00 1.34 H new ATOM 0 HD12 LEU A 116 11.925 -11.805 13.969 1.00 1.34 H new ATOM 0 HD13 LEU A 116 10.357 -12.362 13.335 1.00 1.34 H new ATOM 0 HD21 LEU A 116 11.316 -15.115 12.379 1.00 1.22 H new ATOM 0 HD22 LEU A 116 10.281 -14.003 11.454 1.00 1.22 H new ATOM 0 HD23 LEU A 116 11.793 -14.612 10.740 1.00 1.22 H new ATOM 1935 N LEU A 117 15.404 -12.387 11.539 1.00 0.27 N ATOM 1936 CA LEU A 117 16.583 -13.061 10.935 1.00 0.27 C ATOM 1937 C LEU A 117 16.450 -14.550 11.097 1.00 0.15 C ATOM 1938 O LEU A 117 16.279 -15.059 12.185 1.00 0.28 O ATOM 1939 CB LEU A 117 17.824 -12.553 11.664 1.00 0.43 C ATOM 1940 CG LEU A 117 19.165 -13.080 11.106 1.00 0.20 C ATOM 1941 CD1 LEU A 117 19.152 -14.592 10.872 1.00 0.35 C ATOM 1942 CD2 LEU A 117 19.520 -12.360 9.804 1.00 0.15 C ATOM 0 H LEU A 117 15.364 -12.403 12.558 1.00 0.27 H new ATOM 0 HA LEU A 117 16.657 -12.842 9.870 1.00 0.27 H new ATOM 0 HB2 LEU A 117 17.832 -11.464 11.622 1.00 0.43 H new ATOM 0 HB3 LEU A 117 17.750 -12.831 12.715 1.00 0.43 H new ATOM 0 HG LEU A 117 19.922 -12.873 11.862 1.00 0.20 H new ATOM 0 HD11 LEU A 117 20.119 -14.908 10.480 1.00 0.35 H new ATOM 0 HD12 LEU A 117 18.958 -15.104 11.814 1.00 0.35 H new ATOM 0 HD13 LEU A 117 18.370 -14.842 10.155 1.00 0.35 H new ATOM 0 HD21 LEU A 117 20.467 -12.742 9.423 1.00 0.15 H new ATOM 0 HD22 LEU A 117 18.736 -12.534 9.067 1.00 0.15 H new ATOM 0 HD23 LEU A 117 19.610 -11.290 9.993 1.00 0.15 H new ATOM 1954 N GLY A 118 16.581 -15.260 10.032 1.00 0.42 N ATOM 1955 CA GLY A 118 16.518 -16.714 10.150 1.00 0.34 C ATOM 1956 C GLY A 118 17.842 -17.287 9.668 1.00 0.33 C ATOM 1957 O GLY A 118 18.162 -17.265 8.496 1.00 0.46 O ATOM 0 H GLY A 118 16.728 -14.896 9.091 1.00 0.42 H new ATOM 0 HA2 GLY A 118 16.332 -17.004 11.184 1.00 0.34 H new ATOM 0 HA3 GLY A 118 15.694 -17.108 9.555 1.00 0.34 H new ATOM 1961 N LEU A 119 18.591 -17.829 10.573 1.00 0.23 N ATOM 1962 CA LEU A 119 19.882 -18.452 10.215 1.00 0.29 C ATOM 1963 C LEU A 119 19.553 -19.848 9.782 1.00 0.27 C ATOM 1964 O LEU A 119 18.863 -20.553 10.472 1.00 0.35 O ATOM 1965 CB LEU A 119 20.796 -18.500 11.439 1.00 0.28 C ATOM 1966 CG LEU A 119 21.349 -19.925 11.640 1.00 0.31 C ATOM 1967 CD1 LEU A 119 22.219 -20.335 10.453 1.00 0.31 C ATOM 1968 CD2 LEU A 119 22.197 -19.946 12.906 1.00 0.30 C ATOM 0 H LEU A 119 18.358 -17.867 11.565 1.00 0.23 H new ATOM 0 HA LEU A 119 20.395 -17.891 9.434 1.00 0.29 H new ATOM 0 HB2 LEU A 119 21.620 -17.797 11.314 1.00 0.28 H new ATOM 0 HB3 LEU A 119 20.244 -18.189 12.326 1.00 0.28 H new ATOM 0 HG LEU A 119 20.516 -20.623 11.723 1.00 0.31 H new ATOM 0 HD11 LEU A 119 22.600 -21.344 10.613 1.00 0.31 H new ATOM 0 HD12 LEU A 119 21.623 -20.313 9.540 1.00 0.31 H new ATOM 0 HD13 LEU A 119 23.055 -19.642 10.358 1.00 0.31 H new ATOM 0 HD21 LEU A 119 22.595 -20.949 13.061 1.00 0.30 H new ATOM 0 HD22 LEU A 119 23.021 -19.240 12.804 1.00 0.30 H new ATOM 0 HD23 LEU A 119 21.582 -19.664 13.761 1.00 0.30 H new ATOM 1980 N ALA A 120 19.995 -20.268 8.659 1.00 0.15 N ATOM 1981 CA ALA A 120 19.628 -21.630 8.260 1.00 0.13 C ATOM 1982 C ALA A 120 20.857 -22.493 8.255 1.00 0.16 C ATOM 1983 O ALA A 120 21.875 -22.153 7.687 1.00 0.20 O ATOM 1984 CB ALA A 120 18.996 -21.615 6.880 1.00 0.15 C ATOM 0 H ALA A 120 20.582 -19.746 8.009 1.00 0.15 H new ATOM 0 HA ALA A 120 18.905 -22.034 8.969 1.00 0.13 H new ATOM 0 HB1 ALA A 120 18.727 -22.631 6.592 1.00 0.15 H new ATOM 0 HB2 ALA A 120 18.101 -20.993 6.896 1.00 0.15 H new ATOM 0 HB3 ALA A 120 19.706 -21.210 6.159 1.00 0.15 H new ATOM 1990 N ARG A 121 20.766 -23.622 8.863 1.00 0.14 N ATOM 1991 CA ARG A 121 21.932 -24.514 8.864 1.00 0.16 C ATOM 1992 C ARG A 121 21.712 -25.509 7.728 1.00 0.15 C ATOM 1993 O ARG A 121 20.861 -26.354 7.794 1.00 0.11 O ATOM 1994 CB ARG A 121 22.025 -25.230 10.218 1.00 0.16 C ATOM 1995 CG ARG A 121 20.629 -25.349 10.851 1.00 0.12 C ATOM 1996 CD ARG A 121 20.588 -26.558 11.789 1.00 0.22 C ATOM 1997 NE ARG A 121 20.892 -27.792 11.011 1.00 0.79 N ATOM 1998 CZ ARG A 121 20.549 -28.961 11.477 1.00 0.98 C ATOM 1999 NH1 ARG A 121 19.291 -29.301 11.522 1.00 0.55 N ATOM 2000 NH2 ARG A 121 21.464 -29.790 11.895 1.00 1.93 N ATOM 0 H ARG A 121 19.942 -23.965 9.356 1.00 0.14 H new ATOM 0 HA ARG A 121 22.866 -23.971 8.718 1.00 0.16 H new ATOM 0 HB2 ARG A 121 22.458 -26.221 10.085 1.00 0.16 H new ATOM 0 HB3 ARG A 121 22.689 -24.679 10.884 1.00 0.16 H new ATOM 0 HG2 ARG A 121 20.391 -24.440 11.403 1.00 0.12 H new ATOM 0 HG3 ARG A 121 19.874 -25.455 10.072 1.00 0.12 H new ATOM 0 HD2 ARG A 121 21.312 -26.434 12.594 1.00 0.22 H new ATOM 0 HD3 ARG A 121 19.606 -26.640 12.254 1.00 0.22 H new ATOM 0 HE ARG A 121 21.369 -27.722 10.112 1.00 0.79 H new ATOM 0 HH11 ARG A 121 18.575 -28.653 11.193 1.00 0.55 H new ATOM 0 HH12 ARG A 121 19.022 -30.215 11.886 1.00 0.55 H new ATOM 0 HH21 ARG A 121 22.448 -29.525 11.858 1.00 1.93 H new ATOM 0 HH22 ARG A 121 21.196 -30.704 12.259 1.00 1.93 H new ATOM 2014 N GLY A 122 22.466 -25.418 6.677 1.00 0.18 N ATOM 2015 CA GLY A 122 22.239 -26.364 5.547 1.00 0.20 C ATOM 2016 C GLY A 122 23.081 -27.622 5.765 1.00 0.38 C ATOM 2017 O GLY A 122 22.791 -28.677 5.241 1.00 0.44 O ATOM 0 H GLY A 122 23.220 -24.743 6.546 1.00 0.18 H new ATOM 0 HA2 GLY A 122 21.183 -26.626 5.483 1.00 0.20 H new ATOM 0 HA3 GLY A 122 22.508 -25.892 4.602 1.00 0.20 H new