USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 867 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot -178:sc= 0.68 USER MOD Set 1.2: A 111 HIS : no HE2:sc= -0.64 K(o=0.04,f=-1.7) USER MOD Set 2.1: A 13 HIS : no HE2:sc= -1 K(o=-0.13,f=-4.4) USER MOD Set 2.2: A 69 SER OG : rot 144:sc= 0.869 USER MOD Set 3.1: A 18 HIS : no HD1:sc= 0.671 K(o=2.5,f=-0.8!) USER MOD Set 3.2: A 21 SER OG : rot -106:sc= 1.81 USER MOD Single : A 11 CYS SG : rot -3:sc= -0.549 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= 1.67 (180deg=1.49) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 20 GLN : amide:sc= -0.306 K(o=-0.31,f=-0.94) USER MOD Single : A 25 SER OG : rot -76:sc= 1.22 USER MOD Single : A 26 SER OG : rot 176:sc= 1.47 USER MOD Single : A 29 GLN : amide:sc= -1.21 K(o=-1.2,f=-4.8!) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= -0.0105 (180deg=-0.142) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00214 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0865 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 1.03 K(o=1,f=-0.0041) USER MOD Single : A 46 TYR OH : rot -69:sc= 0.669 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.0704 F(o=-0.89,f=-0.07) USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -0.0315 (180deg=-0.258) USER MOD Single : A 51 LYS NZ :NH3+ -136:sc= 1.18 (180deg=0.37) USER MOD Single : A 52 SER OG : rot 102:sc= 1.22 USER MOD Single : A 59 SER OG : rot 59:sc= 1.05 USER MOD Single : A 62 SER OG : rot 38:sc= 1.21 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0204 F(o=-1.3!,f=-0.02) USER MOD Single : A 65 SER OG : rot 180:sc= 0.1 USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0882 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= -0.0461 (180deg=-0.313) USER MOD Single : A 80 SER OG : rot 69:sc= -0.0282 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.36 F(o=-2.2,f=-0.36) USER MOD Single : A 84 MET CE :methyl 158:sc= 0 (180deg=-0.787) USER MOD Single : A 85 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.031) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0458) USER MOD Single : A 97 THR OG1 : rot -58:sc= 1.3 USER MOD Single : A 100 MET CE :methyl 174:sc= -2.14 (180deg=-2.43) USER MOD Single : A 101 SER OG : rot -170:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.00759 USER MOD ----------------------------------------------------------------- ATOM 85 N ALA A 7 13.636 11.805 9.932 1.00 4.31 N ATOM 86 CA ALA A 7 13.278 11.365 11.270 1.00 53.34 C ATOM 87 C ALA A 7 11.957 10.609 11.250 1.00 74.54 C ATOM 88 O ALA A 7 11.863 9.485 11.748 1.00 21.14 O ATOM 89 CB ALA A 7 13.196 12.558 12.210 1.00 31.25 C ATOM 0 HA ALA A 7 14.052 10.688 11.632 1.00 53.34 H new ATOM 0 HB1 ALA A 7 12.927 12.216 13.209 1.00 31.25 H new ATOM 0 HB2 ALA A 7 14.163 13.060 12.246 1.00 31.25 H new ATOM 0 HB3 ALA A 7 12.439 13.254 11.849 1.00 31.25 H new ATOM 95 N ARG A 8 10.940 11.226 10.670 1.00 54.15 N ATOM 96 CA ARG A 8 9.630 10.601 10.548 1.00 44.42 C ATOM 97 C ARG A 8 8.985 10.983 9.228 1.00 0.54 C ATOM 98 O ARG A 8 8.931 12.162 8.872 1.00 14.20 O ATOM 99 CB ARG A 8 8.701 10.999 11.708 1.00 63.12 C ATOM 100 CG ARG A 8 9.164 10.528 13.078 1.00 13.43 C ATOM 101 CD ARG A 8 8.098 10.765 14.134 1.00 11.13 C ATOM 102 NE ARG A 8 7.742 12.181 14.264 1.00 71.24 N ATOM 103 CZ ARG A 8 6.609 12.623 14.822 1.00 11.00 C ATOM 104 NH1 ARG A 8 5.709 11.759 15.282 1.00 10.43 N ATOM 105 NH2 ARG A 8 6.379 13.928 14.912 1.00 74.33 N ATOM 0 H ARG A 8 10.996 12.164 10.274 1.00 54.15 H new ATOM 0 HA ARG A 8 9.779 9.522 10.585 1.00 44.42 H new ATOM 0 HB2 ARG A 8 8.606 12.085 11.724 1.00 63.12 H new ATOM 0 HB3 ARG A 8 7.707 10.595 11.516 1.00 63.12 H new ATOM 0 HG2 ARG A 8 9.408 9.466 13.036 1.00 13.43 H new ATOM 0 HG3 ARG A 8 10.077 11.054 13.356 1.00 13.43 H new ATOM 0 HD2 ARG A 8 7.206 10.191 13.881 1.00 11.13 H new ATOM 0 HD3 ARG A 8 8.454 10.393 15.095 1.00 11.13 H new ATOM 0 HE ARG A 8 8.400 12.874 13.906 1.00 71.24 H new ATOM 0 HH11 ARG A 8 5.881 10.756 15.210 1.00 10.43 H new ATOM 0 HH12 ARG A 8 4.846 12.099 15.707 1.00 10.43 H new ATOM 0 HH21 ARG A 8 7.066 14.593 14.556 1.00 74.33 H new ATOM 0 HH22 ARG A 8 5.515 14.266 15.337 1.00 74.33 H new ATOM 119 N VAL A 9 8.504 9.997 8.500 1.00 1.22 N ATOM 120 CA VAL A 9 7.844 10.247 7.231 1.00 11.23 C ATOM 121 C VAL A 9 6.388 9.846 7.312 1.00 74.40 C ATOM 122 O VAL A 9 6.012 9.025 8.151 1.00 62.00 O ATOM 123 CB VAL A 9 8.514 9.491 6.052 1.00 42.33 C ATOM 124 CG1 VAL A 9 9.950 9.945 5.867 1.00 13.03 C ATOM 125 CG2 VAL A 9 8.447 7.984 6.260 1.00 30.12 C ATOM 0 H VAL A 9 8.557 9.013 8.764 1.00 1.22 H new ATOM 0 HA VAL A 9 7.933 11.316 7.037 1.00 11.23 H new ATOM 0 HB VAL A 9 7.961 9.730 5.143 1.00 42.33 H new ATOM 0 HG11 VAL A 9 10.399 9.402 5.036 1.00 13.03 H new ATOM 0 HG12 VAL A 9 9.969 11.014 5.655 1.00 13.03 H new ATOM 0 HG13 VAL A 9 10.515 9.746 6.778 1.00 13.03 H new ATOM 0 HG21 VAL A 9 8.923 7.479 5.420 1.00 30.12 H new ATOM 0 HG22 VAL A 9 8.965 7.721 7.182 1.00 30.12 H new ATOM 0 HG23 VAL A 9 7.405 7.672 6.327 1.00 30.12 H new ATOM 135 N ARG A 10 5.574 10.432 6.469 1.00 61.34 N ATOM 136 CA ARG A 10 4.169 10.098 6.429 1.00 22.25 C ATOM 137 C ARG A 10 3.864 9.403 5.131 1.00 43.40 C ATOM 138 O ARG A 10 4.161 9.928 4.058 1.00 1.43 O ATOM 139 CB ARG A 10 3.316 11.346 6.554 1.00 61.13 C ATOM 140 CG ARG A 10 1.849 11.060 6.770 1.00 25.23 C ATOM 141 CD ARG A 10 1.062 12.338 6.927 1.00 52.43 C ATOM 142 NE ARG A 10 -0.300 12.084 7.366 1.00 31.44 N ATOM 143 CZ ARG A 10 -1.088 13.000 7.920 1.00 20.22 C ATOM 144 NH1 ARG A 10 -0.671 14.261 8.041 1.00 53.24 N ATOM 145 NH2 ARG A 10 -2.294 12.657 8.345 1.00 10.33 N ATOM 0 H ARG A 10 5.860 11.145 5.798 1.00 61.34 H new ATOM 0 HA ARG A 10 3.938 9.440 7.267 1.00 22.25 H new ATOM 0 HB2 ARG A 10 3.686 11.947 7.385 1.00 61.13 H new ATOM 0 HB3 ARG A 10 3.431 11.946 5.651 1.00 61.13 H new ATOM 0 HG2 ARG A 10 1.459 10.491 5.927 1.00 25.23 H new ATOM 0 HG3 ARG A 10 1.723 10.441 7.658 1.00 25.23 H new ATOM 0 HD2 ARG A 10 1.561 12.986 7.648 1.00 52.43 H new ATOM 0 HD3 ARG A 10 1.044 12.872 5.977 1.00 52.43 H new ATOM 0 HE ARG A 10 -0.675 11.144 7.241 1.00 31.44 H new ATOM 0 HH11 ARG A 10 0.256 14.526 7.708 1.00 53.24 H new ATOM 0 HH12 ARG A 10 -1.279 14.961 8.467 1.00 53.24 H new ATOM 0 HH21 ARG A 10 -2.615 11.694 8.247 1.00 10.33 H new ATOM 0 HH22 ARG A 10 -2.903 13.356 8.771 1.00 10.33 H new ATOM 159 N CYS A 11 3.297 8.228 5.214 1.00 44.34 N ATOM 160 CA CYS A 11 2.993 7.478 4.023 1.00 2.13 C ATOM 161 C CYS A 11 1.640 6.803 4.115 1.00 72.14 C ATOM 162 O CYS A 11 1.263 6.260 5.158 1.00 52.11 O ATOM 163 CB CYS A 11 4.083 6.435 3.757 1.00 72.44 C ATOM 164 SG CYS A 11 5.739 7.133 3.556 1.00 41.14 S ATOM 0 H CYS A 11 3.037 7.771 6.088 1.00 44.34 H new ATOM 0 HA CYS A 11 2.959 8.183 3.192 1.00 2.13 H new ATOM 0 HB2 CYS A 11 4.098 5.723 4.582 1.00 72.44 H new ATOM 0 HB3 CYS A 11 3.824 5.876 2.858 1.00 72.44 H new ATOM 0 HG CYS A 11 5.673 8.430 3.615 1.00 41.14 H new ATOM 170 N SER A 12 0.911 6.866 3.031 1.00 43.25 N ATOM 171 CA SER A 12 -0.342 6.182 2.904 1.00 13.41 C ATOM 172 C SER A 12 -0.075 4.846 2.226 1.00 2.24 C ATOM 173 O SER A 12 0.924 4.705 1.505 1.00 21.24 O ATOM 174 CB SER A 12 -1.318 7.025 2.083 1.00 5.55 C ATOM 175 OG SER A 12 -1.462 8.321 2.643 1.00 30.02 O ATOM 0 H SER A 12 1.177 7.401 2.204 1.00 43.25 H new ATOM 0 HA SER A 12 -0.792 6.017 3.883 1.00 13.41 H new ATOM 0 HB2 SER A 12 -0.961 7.106 1.056 1.00 5.55 H new ATOM 0 HB3 SER A 12 -2.289 6.531 2.045 1.00 5.55 H new ATOM 0 HG SER A 12 -2.089 8.844 2.101 1.00 30.02 H new ATOM 181 N HIS A 13 -0.928 3.867 2.444 1.00 31.44 N ATOM 182 CA HIS A 13 -0.676 2.553 1.884 1.00 21.34 C ATOM 183 C HIS A 13 -1.944 1.824 1.468 1.00 31.15 C ATOM 184 O HIS A 13 -2.971 1.882 2.146 1.00 54.25 O ATOM 185 CB HIS A 13 0.154 1.687 2.859 1.00 1.04 C ATOM 186 CG HIS A 13 -0.529 1.368 4.165 1.00 32.13 C ATOM 187 ND1 HIS A 13 -0.390 0.160 4.808 1.00 45.13 N ATOM 188 CD2 HIS A 13 -1.338 2.111 4.951 1.00 61.13 C ATOM 189 CE1 HIS A 13 -1.086 0.175 5.927 1.00 61.43 C ATOM 190 NE2 HIS A 13 -1.668 1.347 6.036 1.00 44.33 N ATOM 0 H HIS A 13 -1.784 3.950 2.992 1.00 31.44 H new ATOM 0 HA HIS A 13 -0.099 2.717 0.974 1.00 21.34 H new ATOM 0 HB2 HIS A 13 0.411 0.751 2.362 1.00 1.04 H new ATOM 0 HB3 HIS A 13 1.091 2.202 3.072 1.00 1.04 H new ATOM 0 HD1 HIS A 13 0.166 -0.626 4.471 1.00 45.13 H new ATOM 0 HD2 HIS A 13 -1.664 3.122 4.758 1.00 61.13 H new ATOM 0 HE1 HIS A 13 -1.164 -0.638 6.634 1.00 61.43 H new ATOM 199 N LEU A 14 -1.844 1.138 0.348 1.00 53.34 N ATOM 200 CA LEU A 14 -2.921 0.326 -0.185 1.00 45.45 C ATOM 201 C LEU A 14 -2.533 -1.134 0.005 1.00 50.23 C ATOM 202 O LEU A 14 -1.406 -1.520 -0.307 1.00 21.12 O ATOM 203 CB LEU A 14 -3.111 0.652 -1.693 1.00 33.00 C ATOM 204 CG LEU A 14 -4.391 0.131 -2.398 1.00 12.52 C ATOM 205 CD1 LEU A 14 -4.394 -1.382 -2.549 1.00 45.31 C ATOM 206 CD2 LEU A 14 -5.634 0.600 -1.671 1.00 72.54 C ATOM 0 H LEU A 14 -1.001 1.128 -0.226 1.00 53.34 H new ATOM 0 HA LEU A 14 -3.861 0.529 0.328 1.00 45.45 H new ATOM 0 HB2 LEU A 14 -3.086 1.736 -1.805 1.00 33.00 H new ATOM 0 HB3 LEU A 14 -2.250 0.256 -2.231 1.00 33.00 H new ATOM 0 HG LEU A 14 -4.394 0.552 -3.403 1.00 12.52 H new ATOM 0 HD11 LEU A 14 -5.311 -1.696 -3.048 1.00 45.31 H new ATOM 0 HD12 LEU A 14 -3.534 -1.690 -3.143 1.00 45.31 H new ATOM 0 HD13 LEU A 14 -4.340 -1.846 -1.564 1.00 45.31 H new ATOM 0 HD21 LEU A 14 -6.519 0.223 -2.183 1.00 72.54 H new ATOM 0 HD22 LEU A 14 -5.620 0.226 -0.647 1.00 72.54 H new ATOM 0 HD23 LEU A 14 -5.659 1.690 -1.659 1.00 72.54 H new ATOM 218 N LEU A 15 -3.436 -1.928 0.541 1.00 74.41 N ATOM 219 CA LEU A 15 -3.154 -3.330 0.778 1.00 63.51 C ATOM 220 C LEU A 15 -4.154 -4.207 0.050 1.00 75.34 C ATOM 221 O LEU A 15 -5.357 -4.130 0.294 1.00 61.20 O ATOM 222 CB LEU A 15 -3.153 -3.625 2.300 1.00 62.11 C ATOM 223 CG LEU A 15 -2.840 -5.079 2.751 1.00 52.32 C ATOM 224 CD1 LEU A 15 -4.076 -5.965 2.682 1.00 21.21 C ATOM 225 CD2 LEU A 15 -1.711 -5.679 1.925 1.00 33.30 C ATOM 0 H LEU A 15 -4.370 -1.628 0.821 1.00 74.41 H new ATOM 0 HA LEU A 15 -2.164 -3.560 0.386 1.00 63.51 H new ATOM 0 HB2 LEU A 15 -2.425 -2.964 2.770 1.00 62.11 H new ATOM 0 HB3 LEU A 15 -4.132 -3.354 2.695 1.00 62.11 H new ATOM 0 HG LEU A 15 -2.518 -5.031 3.791 1.00 52.32 H new ATOM 0 HD11 LEU A 15 -3.819 -6.974 3.005 1.00 21.21 H new ATOM 0 HD12 LEU A 15 -4.850 -5.561 3.335 1.00 21.21 H new ATOM 0 HD13 LEU A 15 -4.445 -5.995 1.657 1.00 21.21 H new ATOM 0 HD21 LEU A 15 -1.514 -6.696 2.263 1.00 33.30 H new ATOM 0 HD22 LEU A 15 -1.998 -5.695 0.874 1.00 33.30 H new ATOM 0 HD23 LEU A 15 -0.811 -5.076 2.046 1.00 33.30 H new ATOM 237 N VAL A 16 -3.651 -5.024 -0.848 1.00 12.44 N ATOM 238 CA VAL A 16 -4.478 -5.959 -1.569 1.00 33.23 C ATOM 239 C VAL A 16 -3.985 -7.388 -1.317 1.00 2.14 C ATOM 240 O VAL A 16 -2.810 -7.706 -1.541 1.00 45.24 O ATOM 241 CB VAL A 16 -4.514 -5.646 -3.096 1.00 65.22 C ATOM 242 CG1 VAL A 16 -3.128 -5.720 -3.716 1.00 41.35 C ATOM 243 CG2 VAL A 16 -5.479 -6.570 -3.820 1.00 44.34 C ATOM 0 H VAL A 16 -2.662 -5.058 -1.097 1.00 12.44 H new ATOM 0 HA VAL A 16 -5.499 -5.862 -1.201 1.00 33.23 H new ATOM 0 HB VAL A 16 -4.872 -4.623 -3.209 1.00 65.22 H new ATOM 0 HG11 VAL A 16 -3.193 -5.496 -4.781 1.00 41.35 H new ATOM 0 HG12 VAL A 16 -2.474 -4.995 -3.232 1.00 41.35 H new ATOM 0 HG13 VAL A 16 -2.722 -6.722 -3.580 1.00 41.35 H new ATOM 0 HG21 VAL A 16 -5.484 -6.330 -4.883 1.00 44.34 H new ATOM 0 HG22 VAL A 16 -5.164 -7.604 -3.683 1.00 44.34 H new ATOM 0 HG23 VAL A 16 -6.482 -6.439 -3.414 1.00 44.34 H new ATOM 253 N LYS A 17 -4.867 -8.226 -0.805 1.00 52.35 N ATOM 254 CA LYS A 17 -4.515 -9.610 -0.510 1.00 12.31 C ATOM 255 C LYS A 17 -4.702 -10.498 -1.728 1.00 51.20 C ATOM 256 O LYS A 17 -5.195 -10.051 -2.772 1.00 63.24 O ATOM 257 CB LYS A 17 -5.355 -10.146 0.644 1.00 12.01 C ATOM 258 CG LYS A 17 -5.178 -9.390 1.942 1.00 64.35 C ATOM 259 CD LYS A 17 -6.031 -9.991 3.040 1.00 1.30 C ATOM 260 CE LYS A 17 -5.869 -9.234 4.339 1.00 73.24 C ATOM 261 NZ LYS A 17 -6.641 -9.856 5.436 1.00 32.53 N ATOM 0 H LYS A 17 -5.831 -7.977 -0.584 1.00 52.35 H new ATOM 0 HA LYS A 17 -3.463 -9.625 -0.226 1.00 12.31 H new ATOM 0 HB2 LYS A 17 -6.407 -10.115 0.359 1.00 12.01 H new ATOM 0 HB3 LYS A 17 -5.100 -11.193 0.809 1.00 12.01 H new ATOM 0 HG2 LYS A 17 -4.129 -9.410 2.239 1.00 64.35 H new ATOM 0 HG3 LYS A 17 -5.448 -8.344 1.798 1.00 64.35 H new ATOM 0 HD2 LYS A 17 -7.078 -9.979 2.738 1.00 1.30 H new ATOM 0 HD3 LYS A 17 -5.754 -11.035 3.188 1.00 1.30 H new ATOM 0 HE2 LYS A 17 -4.814 -9.200 4.611 1.00 73.24 H new ATOM 0 HE3 LYS A 17 -6.197 -8.203 4.203 1.00 73.24 H new ATOM 0 HZ1 LYS A 17 -6.315 -9.477 6.348 1.00 32.53 H new ATOM 0 HZ2 LYS A 17 -7.652 -9.643 5.313 1.00 32.53 H new ATOM 0 HZ3 LYS A 17 -6.500 -10.886 5.419 1.00 32.53 H new ATOM 275 N HIS A 18 -4.325 -11.758 -1.586 1.00 64.11 N ATOM 276 CA HIS A 18 -4.453 -12.724 -2.659 1.00 31.05 C ATOM 277 C HIS A 18 -5.110 -14.006 -2.151 1.00 45.05 C ATOM 278 O HIS A 18 -5.263 -14.193 -0.943 1.00 74.42 O ATOM 279 CB HIS A 18 -3.085 -13.015 -3.338 1.00 3.14 C ATOM 280 CG HIS A 18 -1.995 -13.515 -2.420 1.00 44.25 C ATOM 281 ND1 HIS A 18 -1.497 -14.800 -2.468 1.00 52.32 N ATOM 282 CD2 HIS A 18 -1.289 -12.885 -1.455 1.00 21.42 C ATOM 283 CE1 HIS A 18 -0.540 -14.935 -1.571 1.00 23.22 C ATOM 284 NE2 HIS A 18 -0.391 -13.790 -0.942 1.00 24.43 N ATOM 0 H HIS A 18 -3.924 -12.136 -0.728 1.00 64.11 H new ATOM 0 HA HIS A 18 -5.099 -12.292 -3.423 1.00 31.05 H new ATOM 0 HB2 HIS A 18 -3.240 -13.753 -4.125 1.00 3.14 H new ATOM 0 HB3 HIS A 18 -2.738 -12.102 -3.821 1.00 3.14 H new ATOM 0 HD2 HIS A 18 -1.409 -11.858 -1.144 1.00 21.42 H new ATOM 0 HE1 HIS A 18 0.027 -15.835 -1.384 1.00 23.22 H new ATOM 0 HE2 HIS A 18 0.280 -13.604 -0.197 1.00 24.43 H new ATOM 293 N SER A 19 -5.499 -14.869 -3.082 1.00 73.04 N ATOM 294 CA SER A 19 -6.194 -16.120 -2.779 1.00 11.50 C ATOM 295 C SER A 19 -5.506 -16.922 -1.677 1.00 21.13 C ATOM 296 O SER A 19 -6.161 -17.442 -0.774 1.00 4.13 O ATOM 297 CB SER A 19 -6.274 -16.973 -4.039 1.00 14.13 C ATOM 298 OG SER A 19 -6.658 -16.194 -5.151 1.00 3.25 O ATOM 0 H SER A 19 -5.341 -14.721 -4.079 1.00 73.04 H new ATOM 0 HA SER A 19 -7.190 -15.858 -2.423 1.00 11.50 H new ATOM 0 HB2 SER A 19 -5.306 -17.436 -4.231 1.00 14.13 H new ATOM 0 HB3 SER A 19 -6.991 -17.781 -3.891 1.00 14.13 H new ATOM 0 HG SER A 19 -6.701 -16.762 -5.949 1.00 3.25 H new ATOM 304 N GLN A 20 -4.193 -17.008 -1.750 1.00 64.23 N ATOM 305 CA GLN A 20 -3.443 -17.827 -0.821 1.00 33.53 C ATOM 306 C GLN A 20 -2.738 -17.010 0.263 1.00 4.03 C ATOM 307 O GLN A 20 -1.634 -17.353 0.684 1.00 1.11 O ATOM 308 CB GLN A 20 -2.445 -18.693 -1.579 1.00 71.14 C ATOM 309 CG GLN A 20 -3.103 -19.646 -2.569 1.00 71.21 C ATOM 310 CD GLN A 20 -4.159 -20.533 -1.920 1.00 13.44 C ATOM 311 OE1 GLN A 20 -4.071 -20.869 -0.735 1.00 34.42 O ATOM 312 NE2 GLN A 20 -5.160 -20.913 -2.687 1.00 5.11 N ATOM 0 H GLN A 20 -3.624 -16.521 -2.443 1.00 64.23 H new ATOM 0 HA GLN A 20 -4.161 -18.464 -0.304 1.00 33.53 H new ATOM 0 HB2 GLN A 20 -1.748 -18.048 -2.115 1.00 71.14 H new ATOM 0 HB3 GLN A 20 -1.859 -19.271 -0.864 1.00 71.14 H new ATOM 0 HG2 GLN A 20 -3.563 -19.069 -3.371 1.00 71.21 H new ATOM 0 HG3 GLN A 20 -2.338 -20.274 -3.026 1.00 71.21 H new ATOM 0 HE21 GLN A 20 -5.198 -20.615 -3.662 1.00 5.11 H new ATOM 0 HE22 GLN A 20 -5.898 -21.506 -2.306 1.00 5.11 H new ATOM 321 N SER A 21 -3.366 -15.937 0.712 1.00 4.53 N ATOM 322 CA SER A 21 -2.828 -15.172 1.828 1.00 33.22 C ATOM 323 C SER A 21 -3.041 -15.961 3.126 1.00 40.34 C ATOM 324 O SER A 21 -3.821 -16.918 3.144 1.00 20.12 O ATOM 325 CB SER A 21 -3.513 -13.806 1.925 1.00 32.21 C ATOM 326 OG SER A 21 -3.231 -13.000 0.790 1.00 32.25 O ATOM 0 H SER A 21 -4.239 -15.577 0.327 1.00 4.53 H new ATOM 0 HA SER A 21 -1.762 -15.007 1.668 1.00 33.22 H new ATOM 0 HB2 SER A 21 -4.590 -13.944 2.016 1.00 32.21 H new ATOM 0 HB3 SER A 21 -3.180 -13.294 2.828 1.00 32.21 H new ATOM 0 HG SER A 21 -2.598 -12.294 1.039 1.00 32.25 H new ATOM 332 N ARG A 22 -2.353 -15.571 4.206 1.00 61.15 N ATOM 333 CA ARG A 22 -2.515 -16.261 5.497 1.00 34.45 C ATOM 334 C ARG A 22 -3.969 -16.208 5.954 1.00 63.00 C ATOM 335 O ARG A 22 -4.450 -17.108 6.642 1.00 45.14 O ATOM 336 CB ARG A 22 -1.581 -15.695 6.590 1.00 70.25 C ATOM 337 CG ARG A 22 -1.873 -14.258 7.018 1.00 3.11 C ATOM 338 CD ARG A 22 -1.174 -13.248 6.126 1.00 72.40 C ATOM 339 NE ARG A 22 0.282 -13.399 6.172 1.00 44.41 N ATOM 340 CZ ARG A 22 1.132 -12.438 6.537 1.00 31.11 C ATOM 341 NH1 ARG A 22 0.682 -11.240 6.892 1.00 40.22 N ATOM 342 NH2 ARG A 22 2.435 -12.680 6.551 1.00 15.21 N ATOM 0 H ARG A 22 -1.690 -14.796 4.216 1.00 61.15 H new ATOM 0 HA ARG A 22 -2.229 -17.301 5.341 1.00 34.45 H new ATOM 0 HB2 ARG A 22 -1.645 -16.338 7.468 1.00 70.25 H new ATOM 0 HB3 ARG A 22 -0.554 -15.748 6.230 1.00 70.25 H new ATOM 0 HG2 ARG A 22 -2.948 -14.083 6.991 1.00 3.11 H new ATOM 0 HG3 ARG A 22 -1.552 -14.114 8.050 1.00 3.11 H new ATOM 0 HD2 ARG A 22 -1.520 -13.369 5.099 1.00 72.40 H new ATOM 0 HD3 ARG A 22 -1.445 -12.239 6.437 1.00 72.40 H new ATOM 0 HE ARG A 22 0.674 -14.303 5.906 1.00 44.41 H new ATOM 0 HH11 ARG A 22 -0.320 -11.050 6.887 1.00 40.22 H new ATOM 0 HH12 ARG A 22 1.338 -10.510 7.170 1.00 40.22 H new ATOM 0 HH21 ARG A 22 2.786 -13.600 6.283 1.00 15.21 H new ATOM 0 HH22 ARG A 22 3.087 -11.947 6.830 1.00 15.21 H new ATOM 356 N ARG A 23 -4.652 -15.142 5.572 1.00 65.02 N ATOM 357 CA ARG A 23 -6.061 -14.997 5.836 1.00 64.31 C ATOM 358 C ARG A 23 -6.675 -14.079 4.792 1.00 64.12 C ATOM 359 O ARG A 23 -6.706 -12.850 4.963 1.00 43.13 O ATOM 360 CB ARG A 23 -6.326 -14.475 7.255 1.00 54.24 C ATOM 361 CG ARG A 23 -7.797 -14.519 7.644 1.00 45.21 C ATOM 362 CD ARG A 23 -7.999 -14.303 9.134 1.00 75.42 C ATOM 363 NE ARG A 23 -7.692 -12.936 9.555 1.00 74.14 N ATOM 364 CZ ARG A 23 -7.680 -12.533 10.829 1.00 75.31 C ATOM 365 NH1 ARG A 23 -7.876 -13.410 11.809 1.00 61.35 N ATOM 366 NH2 ARG A 23 -7.455 -11.258 11.125 1.00 14.43 N ATOM 0 H ARG A 23 -4.239 -14.356 5.070 1.00 65.02 H new ATOM 0 HA ARG A 23 -6.528 -15.980 5.773 1.00 64.31 H new ATOM 0 HB2 ARG A 23 -5.751 -15.067 7.967 1.00 54.24 H new ATOM 0 HB3 ARG A 23 -5.967 -13.449 7.331 1.00 54.24 H new ATOM 0 HG2 ARG A 23 -8.341 -13.754 7.090 1.00 45.21 H new ATOM 0 HG3 ARG A 23 -8.219 -15.482 7.357 1.00 45.21 H new ATOM 0 HD2 ARG A 23 -9.032 -14.535 9.393 1.00 75.42 H new ATOM 0 HD3 ARG A 23 -7.368 -14.999 9.686 1.00 75.42 H new ATOM 0 HE ARG A 23 -7.474 -12.249 8.833 1.00 74.14 H new ATOM 0 HH11 ARG A 23 -8.036 -14.393 11.589 1.00 61.35 H new ATOM 0 HH12 ARG A 23 -7.866 -13.100 12.781 1.00 61.35 H new ATOM 0 HH21 ARG A 23 -7.291 -10.583 10.379 1.00 14.43 H new ATOM 0 HH22 ARG A 23 -7.447 -10.954 12.099 1.00 14.43 H new ATOM 380 N PRO A 24 -7.138 -14.661 3.672 1.00 73.34 N ATOM 381 CA PRO A 24 -7.726 -13.909 2.562 1.00 2.03 C ATOM 382 C PRO A 24 -9.140 -13.430 2.876 1.00 22.00 C ATOM 383 O PRO A 24 -10.088 -13.728 2.157 1.00 1.25 O ATOM 384 CB PRO A 24 -7.743 -14.928 1.421 1.00 13.52 C ATOM 385 CG PRO A 24 -7.857 -16.247 2.097 1.00 52.45 C ATOM 386 CD PRO A 24 -7.126 -16.118 3.404 1.00 31.25 C ATOM 0 HA PRO A 24 -7.165 -13.003 2.334 1.00 2.03 H new ATOM 0 HB2 PRO A 24 -8.582 -14.754 0.747 1.00 13.52 H new ATOM 0 HB3 PRO A 24 -6.835 -14.867 0.822 1.00 13.52 H new ATOM 0 HG2 PRO A 24 -8.902 -16.511 2.261 1.00 52.45 H new ATOM 0 HG3 PRO A 24 -7.421 -17.036 1.484 1.00 52.45 H new ATOM 0 HD2 PRO A 24 -7.624 -16.675 4.198 1.00 31.25 H new ATOM 0 HD3 PRO A 24 -6.109 -16.504 3.334 1.00 31.25 H new ATOM 394 N SER A 25 -9.268 -12.690 3.948 1.00 11.01 N ATOM 395 CA SER A 25 -10.539 -12.155 4.356 1.00 64.43 C ATOM 396 C SER A 25 -10.395 -10.680 4.693 1.00 50.43 C ATOM 397 O SER A 25 -9.336 -10.244 5.170 1.00 62.32 O ATOM 398 CB SER A 25 -11.065 -12.932 5.560 1.00 14.03 C ATOM 399 OG SER A 25 -11.148 -14.319 5.267 1.00 1.12 O ATOM 0 H SER A 25 -8.492 -12.442 4.562 1.00 11.01 H new ATOM 0 HA SER A 25 -11.252 -12.256 3.538 1.00 64.43 H new ATOM 0 HB2 SER A 25 -10.408 -12.775 6.415 1.00 14.03 H new ATOM 0 HB3 SER A 25 -12.049 -12.555 5.840 1.00 14.03 H new ATOM 0 HG SER A 25 -11.929 -14.487 4.700 1.00 1.12 H new ATOM 405 N SER A 26 -11.429 -9.914 4.420 1.00 35.24 N ATOM 406 CA SER A 26 -11.423 -8.498 4.702 1.00 41.10 C ATOM 407 C SER A 26 -12.850 -7.997 4.855 1.00 60.33 C ATOM 408 O SER A 26 -13.778 -8.787 5.034 1.00 15.24 O ATOM 409 CB SER A 26 -10.721 -7.746 3.567 1.00 14.01 C ATOM 410 OG SER A 26 -11.402 -7.926 2.330 1.00 54.41 O ATOM 0 H SER A 26 -12.293 -10.255 3.998 1.00 35.24 H new ATOM 0 HA SER A 26 -10.884 -8.320 5.632 1.00 41.10 H new ATOM 0 HB2 SER A 26 -10.672 -6.684 3.807 1.00 14.01 H new ATOM 0 HB3 SER A 26 -9.694 -8.099 3.474 1.00 14.01 H new ATOM 0 HG SER A 26 -10.975 -7.379 1.639 1.00 54.41 H new ATOM 416 N TRP A 27 -13.024 -6.691 4.795 1.00 31.01 N ATOM 417 CA TRP A 27 -14.343 -6.100 4.865 1.00 12.55 C ATOM 418 C TRP A 27 -14.971 -6.083 3.472 1.00 2.32 C ATOM 419 O TRP A 27 -16.157 -5.785 3.309 1.00 4.11 O ATOM 420 CB TRP A 27 -14.265 -4.676 5.443 1.00 14.33 C ATOM 421 CG TRP A 27 -13.434 -3.729 4.621 1.00 63.10 C ATOM 422 CD1 TRP A 27 -12.072 -3.624 4.612 1.00 12.31 C ATOM 423 CD2 TRP A 27 -13.917 -2.746 3.698 1.00 14.04 C ATOM 424 NE1 TRP A 27 -11.682 -2.649 3.732 1.00 55.23 N ATOM 425 CE2 TRP A 27 -12.794 -2.092 3.160 1.00 51.41 C ATOM 426 CE3 TRP A 27 -15.191 -2.361 3.270 1.00 14.42 C ATOM 427 CZ2 TRP A 27 -12.906 -1.075 2.218 1.00 25.33 C ATOM 428 CZ3 TRP A 27 -15.300 -1.351 2.337 1.00 34.43 C ATOM 429 CH2 TRP A 27 -14.165 -0.719 1.819 1.00 11.13 C ATOM 0 H TRP A 27 -12.264 -6.018 4.698 1.00 31.01 H new ATOM 0 HA TRP A 27 -14.968 -6.699 5.528 1.00 12.55 H new ATOM 0 HB2 TRP A 27 -15.275 -4.275 5.532 1.00 14.33 H new ATOM 0 HB3 TRP A 27 -13.852 -4.726 6.451 1.00 14.33 H new ATOM 0 HD1 TRP A 27 -11.401 -4.222 5.211 1.00 12.31 H new ATOM 0 HE1 TRP A 27 -10.718 -2.381 3.535 1.00 55.23 H new ATOM 0 HE3 TRP A 27 -16.073 -2.845 3.662 1.00 14.42 H new ATOM 0 HZ2 TRP A 27 -12.032 -0.585 1.816 1.00 25.33 H new ATOM 0 HZ3 TRP A 27 -16.279 -1.043 2.001 1.00 34.43 H new ATOM 0 HH2 TRP A 27 -14.285 0.067 1.088 1.00 11.13 H new ATOM 440 N ARG A 28 -14.162 -6.426 2.474 1.00 74.04 N ATOM 441 CA ARG A 28 -14.608 -6.435 1.094 1.00 20.55 C ATOM 442 C ARG A 28 -15.064 -7.824 0.685 1.00 25.30 C ATOM 443 O ARG A 28 -16.119 -7.987 0.075 1.00 31.44 O ATOM 444 CB ARG A 28 -13.493 -5.960 0.163 1.00 3.54 C ATOM 445 CG ARG A 28 -12.924 -4.603 0.535 1.00 41.54 C ATOM 446 CD ARG A 28 -12.109 -4.009 -0.597 1.00 1.21 C ATOM 447 NE ARG A 28 -10.933 -4.809 -0.945 1.00 65.24 N ATOM 448 CZ ARG A 28 -10.337 -4.764 -2.138 1.00 75.14 C ATOM 449 NH1 ARG A 28 -10.892 -4.078 -3.131 1.00 3.12 N ATOM 450 NH2 ARG A 28 -9.205 -5.422 -2.348 1.00 21.54 N ATOM 0 H ARG A 28 -13.189 -6.702 2.602 1.00 74.04 H new ATOM 0 HA ARG A 28 -15.452 -5.750 1.010 1.00 20.55 H new ATOM 0 HB2 ARG A 28 -12.689 -6.695 0.169 1.00 3.54 H new ATOM 0 HB3 ARG A 28 -13.877 -5.916 -0.856 1.00 3.54 H new ATOM 0 HG2 ARG A 28 -13.738 -3.925 0.793 1.00 41.54 H new ATOM 0 HG3 ARG A 28 -12.298 -4.701 1.422 1.00 41.54 H new ATOM 0 HD2 ARG A 28 -12.743 -3.906 -1.477 1.00 1.21 H new ATOM 0 HD3 ARG A 28 -11.788 -3.006 -0.317 1.00 1.21 H new ATOM 0 HE ARG A 28 -10.549 -5.435 -0.237 1.00 65.24 H new ATOM 0 HH11 ARG A 28 -11.773 -3.586 -2.981 1.00 3.12 H new ATOM 0 HH12 ARG A 28 -10.437 -4.043 -4.043 1.00 3.12 H new ATOM 0 HH21 ARG A 28 -8.785 -5.967 -1.595 1.00 21.54 H new ATOM 0 HH22 ARG A 28 -8.755 -5.383 -3.262 1.00 21.54 H new ATOM 464 N GLN A 29 -14.267 -8.824 1.017 1.00 62.31 N ATOM 465 CA GLN A 29 -14.596 -10.195 0.682 1.00 14.02 C ATOM 466 C GLN A 29 -14.381 -11.110 1.866 1.00 51.20 C ATOM 467 O GLN A 29 -13.455 -10.915 2.661 1.00 74.42 O ATOM 468 CB GLN A 29 -13.767 -10.687 -0.510 1.00 22.41 C ATOM 469 CG GLN A 29 -14.105 -10.000 -1.821 1.00 44.13 C ATOM 470 CD GLN A 29 -13.324 -10.552 -2.997 1.00 14.33 C ATOM 471 OE1 GLN A 29 -12.192 -11.011 -2.853 1.00 50.31 O ATOM 472 NE2 GLN A 29 -13.927 -10.514 -4.167 1.00 33.33 N ATOM 0 H GLN A 29 -13.386 -8.710 1.519 1.00 62.31 H new ATOM 0 HA GLN A 29 -15.651 -10.218 0.408 1.00 14.02 H new ATOM 0 HB2 GLN A 29 -12.710 -10.533 -0.293 1.00 22.41 H new ATOM 0 HB3 GLN A 29 -13.916 -11.761 -0.625 1.00 22.41 H new ATOM 0 HG2 GLN A 29 -15.172 -10.108 -2.017 1.00 44.13 H new ATOM 0 HG3 GLN A 29 -13.905 -8.933 -1.728 1.00 44.13 H new ATOM 0 HE21 GLN A 29 -14.867 -10.125 -4.244 1.00 33.33 H new ATOM 0 HE22 GLN A 29 -13.454 -10.874 -4.996 1.00 33.33 H new ATOM 481 N GLU A 30 -15.245 -12.099 1.986 1.00 75.32 N ATOM 482 CA GLU A 30 -15.139 -13.092 3.036 1.00 61.03 C ATOM 483 C GLU A 30 -14.019 -14.075 2.697 1.00 41.31 C ATOM 484 O GLU A 30 -13.290 -14.542 3.577 1.00 50.13 O ATOM 485 CB GLU A 30 -16.490 -13.827 3.238 1.00 63.53 C ATOM 486 CG GLU A 30 -16.958 -14.694 2.057 1.00 40.14 C ATOM 487 CD GLU A 30 -17.124 -13.920 0.761 1.00 31.02 C ATOM 488 OE1 GLU A 30 -18.150 -13.244 0.588 1.00 33.44 O ATOM 489 OE2 GLU A 30 -16.218 -13.989 -0.094 1.00 71.35 O ATOM 0 H GLU A 30 -16.038 -12.236 1.360 1.00 75.32 H new ATOM 0 HA GLU A 30 -14.896 -12.595 3.975 1.00 61.03 H new ATOM 0 HB2 GLU A 30 -16.410 -14.461 4.121 1.00 63.53 H new ATOM 0 HB3 GLU A 30 -17.260 -13.084 3.447 1.00 63.53 H new ATOM 0 HG2 GLU A 30 -16.239 -15.498 1.900 1.00 40.14 H new ATOM 0 HG3 GLU A 30 -17.908 -15.162 2.315 1.00 40.14 H new ATOM 496 N LYS A 31 -13.893 -14.373 1.412 1.00 75.24 N ATOM 497 CA LYS A 31 -12.844 -15.226 0.908 1.00 13.43 C ATOM 498 C LYS A 31 -12.298 -14.645 -0.388 1.00 64.42 C ATOM 499 O LYS A 31 -12.918 -14.767 -1.451 1.00 44.41 O ATOM 500 CB LYS A 31 -13.355 -16.654 0.678 1.00 22.34 C ATOM 501 CG LYS A 31 -12.302 -17.600 0.112 1.00 35.20 C ATOM 502 CD LYS A 31 -12.863 -18.996 -0.107 1.00 31.40 C ATOM 503 CE LYS A 31 -11.842 -19.914 -0.763 1.00 3.23 C ATOM 504 NZ LYS A 31 -10.607 -20.053 0.048 1.00 4.34 N ATOM 0 H LYS A 31 -14.524 -14.024 0.690 1.00 75.24 H new ATOM 0 HA LYS A 31 -12.047 -15.274 1.650 1.00 13.43 H new ATOM 0 HB2 LYS A 31 -13.721 -17.056 1.623 1.00 22.34 H new ATOM 0 HB3 LYS A 31 -14.204 -16.621 -0.004 1.00 22.34 H new ATOM 0 HG2 LYS A 31 -11.928 -17.205 -0.833 1.00 35.20 H new ATOM 0 HG3 LYS A 31 -11.454 -17.651 0.794 1.00 35.20 H new ATOM 0 HD2 LYS A 31 -13.172 -19.419 0.849 1.00 31.40 H new ATOM 0 HD3 LYS A 31 -13.754 -18.937 -0.732 1.00 31.40 H new ATOM 0 HE2 LYS A 31 -12.286 -20.898 -0.916 1.00 3.23 H new ATOM 0 HE3 LYS A 31 -11.585 -19.524 -1.748 1.00 3.23 H new ATOM 0 HZ1 LYS A 31 -10.015 -20.811 -0.348 1.00 4.34 H new ATOM 0 HZ2 LYS A 31 -10.078 -19.157 0.032 1.00 4.34 H new ATOM 0 HZ3 LYS A 31 -10.860 -20.288 1.029 1.00 4.34 H new ATOM 518 N ILE A 32 -11.163 -13.988 -0.283 1.00 43.44 N ATOM 519 CA ILE A 32 -10.511 -13.377 -1.423 1.00 21.21 C ATOM 520 C ILE A 32 -9.966 -14.445 -2.356 1.00 34.41 C ATOM 521 O ILE A 32 -9.109 -15.243 -1.975 1.00 41.11 O ATOM 522 CB ILE A 32 -9.376 -12.432 -0.970 1.00 61.32 C ATOM 523 CG1 ILE A 32 -9.960 -11.278 -0.145 1.00 21.24 C ATOM 524 CG2 ILE A 32 -8.601 -11.904 -2.170 1.00 13.21 C ATOM 525 CD1 ILE A 32 -8.921 -10.356 0.447 1.00 75.32 C ATOM 0 H ILE A 32 -10.664 -13.862 0.598 1.00 43.44 H new ATOM 0 HA ILE A 32 -11.252 -12.786 -1.960 1.00 21.21 H new ATOM 0 HB ILE A 32 -8.679 -12.992 -0.346 1.00 61.32 H new ATOM 0 HG12 ILE A 32 -10.629 -10.695 -0.778 1.00 21.24 H new ATOM 0 HG13 ILE A 32 -10.565 -11.692 0.662 1.00 21.24 H new ATOM 0 HG21 ILE A 32 -7.807 -11.241 -1.827 1.00 13.21 H new ATOM 0 HG22 ILE A 32 -8.165 -12.739 -2.718 1.00 13.21 H new ATOM 0 HG23 ILE A 32 -9.276 -11.353 -2.825 1.00 13.21 H new ATOM 0 HD11 ILE A 32 -9.415 -9.568 1.015 1.00 75.32 H new ATOM 0 HD12 ILE A 32 -8.266 -10.923 1.108 1.00 75.32 H new ATOM 0 HD13 ILE A 32 -8.331 -9.911 -0.354 1.00 75.32 H new ATOM 537 N THR A 33 -10.482 -14.467 -3.565 1.00 25.21 N ATOM 538 CA THR A 33 -10.100 -15.454 -4.548 1.00 24.22 C ATOM 539 C THR A 33 -9.339 -14.832 -5.713 1.00 41.11 C ATOM 540 O THR A 33 -9.279 -15.403 -6.809 1.00 70.14 O ATOM 541 CB THR A 33 -11.342 -16.166 -5.079 1.00 44.12 C ATOM 542 OG1 THR A 33 -12.374 -15.195 -5.305 1.00 41.32 O ATOM 543 CG2 THR A 33 -11.830 -17.215 -4.091 1.00 63.02 C ATOM 0 H THR A 33 -11.180 -13.799 -3.894 1.00 25.21 H new ATOM 0 HA THR A 33 -9.440 -16.168 -4.055 1.00 24.22 H new ATOM 0 HB THR A 33 -11.090 -16.670 -6.012 1.00 44.12 H new ATOM 0 HG1 THR A 33 -13.175 -15.643 -5.648 1.00 41.32 H new ATOM 0 HG21 THR A 33 -12.715 -17.708 -4.492 1.00 63.02 H new ATOM 0 HG22 THR A 33 -11.046 -17.954 -3.928 1.00 63.02 H new ATOM 0 HG23 THR A 33 -12.079 -16.735 -3.144 1.00 63.02 H new ATOM 551 N ARG A 34 -8.759 -13.666 -5.486 1.00 31.25 N ATOM 552 CA ARG A 34 -7.978 -13.012 -6.516 1.00 51.15 C ATOM 553 C ARG A 34 -6.502 -13.362 -6.318 1.00 20.45 C ATOM 554 O ARG A 34 -5.947 -13.163 -5.237 1.00 11.32 O ATOM 555 CB ARG A 34 -8.198 -11.479 -6.492 1.00 34.30 C ATOM 556 CG ARG A 34 -7.430 -10.745 -5.401 1.00 12.30 C ATOM 557 CD ARG A 34 -7.785 -9.272 -5.343 1.00 35.14 C ATOM 558 NE ARG A 34 -9.003 -9.026 -4.571 1.00 65.52 N ATOM 559 CZ ARG A 34 -9.005 -8.606 -3.300 1.00 23.43 C ATOM 560 NH1 ARG A 34 -7.858 -8.487 -2.639 1.00 21.43 N ATOM 561 NH2 ARG A 34 -10.148 -8.333 -2.683 1.00 54.12 N ATOM 0 H ARG A 34 -8.814 -13.157 -4.604 1.00 31.25 H new ATOM 0 HA ARG A 34 -8.302 -13.366 -7.495 1.00 51.15 H new ATOM 0 HB2 ARG A 34 -7.910 -11.069 -7.460 1.00 34.30 H new ATOM 0 HB3 ARG A 34 -9.262 -11.280 -6.366 1.00 34.30 H new ATOM 0 HG2 ARG A 34 -7.642 -11.206 -4.437 1.00 12.30 H new ATOM 0 HG3 ARG A 34 -6.360 -10.852 -5.577 1.00 12.30 H new ATOM 0 HD2 ARG A 34 -6.958 -8.718 -4.899 1.00 35.14 H new ATOM 0 HD3 ARG A 34 -7.916 -8.892 -6.356 1.00 35.14 H new ATOM 0 HE ARG A 34 -9.902 -9.183 -5.027 1.00 65.52 H new ATOM 0 HH11 ARG A 34 -6.977 -8.716 -3.100 1.00 21.43 H new ATOM 0 HH12 ARG A 34 -7.858 -8.167 -1.670 1.00 21.43 H new ATOM 0 HH21 ARG A 34 -11.033 -8.443 -3.177 1.00 54.12 H new ATOM 0 HH22 ARG A 34 -10.141 -8.013 -1.714 1.00 54.12 H new ATOM 575 N THR A 35 -5.878 -13.916 -7.331 1.00 40.21 N ATOM 576 CA THR A 35 -4.487 -14.296 -7.211 1.00 21.34 C ATOM 577 C THR A 35 -3.573 -13.070 -7.327 1.00 62.43 C ATOM 578 O THR A 35 -4.038 -11.953 -7.599 1.00 24.21 O ATOM 579 CB THR A 35 -4.086 -15.382 -8.247 1.00 25.45 C ATOM 580 OG1 THR A 35 -2.763 -15.860 -7.971 1.00 24.00 O ATOM 581 CG2 THR A 35 -4.138 -14.836 -9.665 1.00 22.15 C ATOM 0 H THR A 35 -6.303 -14.112 -8.237 1.00 40.21 H new ATOM 0 HA THR A 35 -4.358 -14.732 -6.220 1.00 21.34 H new ATOM 0 HB THR A 35 -4.799 -16.202 -8.164 1.00 25.45 H new ATOM 0 HG1 THR A 35 -2.519 -16.545 -8.628 1.00 24.00 H new ATOM 0 HG21 THR A 35 -3.852 -15.619 -10.367 1.00 22.15 H new ATOM 0 HG22 THR A 35 -5.151 -14.500 -9.889 1.00 22.15 H new ATOM 0 HG23 THR A 35 -3.449 -13.997 -9.757 1.00 22.15 H new ATOM 589 N LYS A 36 -2.283 -13.291 -7.124 1.00 23.33 N ATOM 590 CA LYS A 36 -1.283 -12.233 -7.153 1.00 62.21 C ATOM 591 C LYS A 36 -1.309 -11.470 -8.477 1.00 33.12 C ATOM 592 O LYS A 36 -1.259 -10.241 -8.492 1.00 5.24 O ATOM 593 CB LYS A 36 0.101 -12.829 -6.907 1.00 3.20 C ATOM 594 CG LYS A 36 1.226 -11.814 -6.893 1.00 55.21 C ATOM 595 CD LYS A 36 2.558 -12.490 -6.638 1.00 60.24 C ATOM 596 CE LYS A 36 3.698 -11.494 -6.669 1.00 33.24 C ATOM 597 NZ LYS A 36 5.006 -12.150 -6.449 1.00 61.12 N ATOM 0 H LYS A 36 -1.897 -14.216 -6.933 1.00 23.33 H new ATOM 0 HA LYS A 36 -1.517 -11.520 -6.362 1.00 62.21 H new ATOM 0 HB2 LYS A 36 0.092 -13.356 -5.953 1.00 3.20 H new ATOM 0 HB3 LYS A 36 0.306 -13.570 -7.679 1.00 3.20 H new ATOM 0 HG2 LYS A 36 1.258 -11.286 -7.846 1.00 55.21 H new ATOM 0 HG3 LYS A 36 1.038 -11.067 -6.121 1.00 55.21 H new ATOM 0 HD2 LYS A 36 2.535 -12.989 -5.669 1.00 60.24 H new ATOM 0 HD3 LYS A 36 2.726 -13.261 -7.390 1.00 60.24 H new ATOM 0 HE2 LYS A 36 3.706 -10.980 -7.630 1.00 33.24 H new ATOM 0 HE3 LYS A 36 3.539 -10.735 -5.903 1.00 33.24 H new ATOM 0 HZ1 LYS A 36 5.762 -11.436 -6.477 1.00 61.12 H new ATOM 0 HZ2 LYS A 36 5.007 -12.619 -5.521 1.00 61.12 H new ATOM 0 HZ3 LYS A 36 5.170 -12.857 -7.194 1.00 61.12 H new ATOM 611 N GLU A 37 -1.401 -12.203 -9.582 1.00 30.34 N ATOM 612 CA GLU A 37 -1.439 -11.592 -10.907 1.00 5.33 C ATOM 613 C GLU A 37 -2.654 -10.678 -11.052 1.00 43.32 C ATOM 614 O GLU A 37 -2.538 -9.549 -11.533 1.00 60.33 O ATOM 615 CB GLU A 37 -1.447 -12.667 -11.991 1.00 24.34 C ATOM 616 CG GLU A 37 -1.519 -12.117 -13.403 1.00 63.22 C ATOM 617 CD GLU A 37 -1.429 -13.198 -14.446 1.00 42.40 C ATOM 618 OE1 GLU A 37 -0.339 -13.371 -15.034 1.00 12.34 O ATOM 619 OE2 GLU A 37 -2.441 -13.891 -14.683 1.00 10.25 O ATOM 0 H GLU A 37 -1.451 -13.222 -9.587 1.00 30.34 H new ATOM 0 HA GLU A 37 -0.542 -10.985 -11.026 1.00 5.33 H new ATOM 0 HB2 GLU A 37 -0.547 -13.274 -11.894 1.00 24.34 H new ATOM 0 HB3 GLU A 37 -2.297 -13.329 -11.826 1.00 24.34 H new ATOM 0 HG2 GLU A 37 -2.454 -11.571 -13.530 1.00 63.22 H new ATOM 0 HG3 GLU A 37 -0.709 -11.403 -13.553 1.00 63.22 H new ATOM 626 N GLU A 38 -3.814 -11.169 -10.617 1.00 12.42 N ATOM 627 CA GLU A 38 -5.052 -10.395 -10.675 1.00 53.14 C ATOM 628 C GLU A 38 -4.897 -9.094 -9.905 1.00 30.32 C ATOM 629 O GLU A 38 -5.290 -8.021 -10.380 1.00 32.51 O ATOM 630 CB GLU A 38 -6.214 -11.193 -10.086 1.00 54.14 C ATOM 631 CG GLU A 38 -6.585 -12.432 -10.877 1.00 71.13 C ATOM 632 CD GLU A 38 -7.056 -12.112 -12.272 1.00 51.01 C ATOM 633 OE1 GLU A 38 -8.068 -11.402 -12.416 1.00 73.44 O ATOM 634 OE2 GLU A 38 -6.421 -12.574 -13.234 1.00 4.40 O ATOM 0 H GLU A 38 -3.921 -12.102 -10.220 1.00 12.42 H new ATOM 0 HA GLU A 38 -5.264 -10.175 -11.721 1.00 53.14 H new ATOM 0 HB2 GLU A 38 -5.957 -11.489 -9.069 1.00 54.14 H new ATOM 0 HB3 GLU A 38 -7.087 -10.544 -10.018 1.00 54.14 H new ATOM 0 HG2 GLU A 38 -5.721 -13.095 -10.933 1.00 71.13 H new ATOM 0 HG3 GLU A 38 -7.369 -12.974 -10.349 1.00 71.13 H new ATOM 641 N ALA A 39 -4.316 -9.198 -8.720 1.00 64.34 N ATOM 642 CA ALA A 39 -4.092 -8.048 -7.868 1.00 64.12 C ATOM 643 C ALA A 39 -3.110 -7.078 -8.510 1.00 74.52 C ATOM 644 O ALA A 39 -3.315 -5.867 -8.476 1.00 33.33 O ATOM 645 CB ALA A 39 -3.586 -8.495 -6.504 1.00 20.24 C ATOM 0 H ALA A 39 -3.989 -10.080 -8.326 1.00 64.34 H new ATOM 0 HA ALA A 39 -5.041 -7.529 -7.737 1.00 64.12 H new ATOM 0 HB1 ALA A 39 -3.421 -7.622 -5.873 1.00 20.24 H new ATOM 0 HB2 ALA A 39 -4.325 -9.146 -6.037 1.00 20.24 H new ATOM 0 HB3 ALA A 39 -2.648 -9.038 -6.624 1.00 20.24 H new ATOM 651 N LEU A 40 -2.056 -7.617 -9.112 1.00 71.32 N ATOM 652 CA LEU A 40 -1.034 -6.797 -9.749 1.00 2.01 C ATOM 653 C LEU A 40 -1.620 -5.973 -10.895 1.00 45.42 C ATOM 654 O LEU A 40 -1.266 -4.801 -11.069 1.00 31.53 O ATOM 655 CB LEU A 40 0.126 -7.666 -10.244 1.00 1.41 C ATOM 656 CG LEU A 40 1.310 -6.911 -10.860 1.00 32.44 C ATOM 657 CD1 LEU A 40 1.858 -5.878 -9.885 1.00 20.21 C ATOM 658 CD2 LEU A 40 2.402 -7.883 -11.267 1.00 20.25 C ATOM 0 H LEU A 40 -1.887 -8.621 -9.172 1.00 71.32 H new ATOM 0 HA LEU A 40 -0.649 -6.103 -9.002 1.00 2.01 H new ATOM 0 HB2 LEU A 40 0.494 -8.259 -9.407 1.00 1.41 H new ATOM 0 HB3 LEU A 40 -0.260 -8.366 -10.985 1.00 1.41 H new ATOM 0 HG LEU A 40 0.957 -6.389 -11.749 1.00 32.44 H new ATOM 0 HD11 LEU A 40 2.697 -5.355 -10.343 1.00 20.21 H new ATOM 0 HD12 LEU A 40 1.075 -5.161 -9.636 1.00 20.21 H new ATOM 0 HD13 LEU A 40 2.194 -6.378 -8.977 1.00 20.21 H new ATOM 0 HD21 LEU A 40 3.236 -7.332 -11.703 1.00 20.25 H new ATOM 0 HD22 LEU A 40 2.747 -8.430 -10.390 1.00 20.25 H new ATOM 0 HD23 LEU A 40 2.008 -8.586 -12.001 1.00 20.25 H new ATOM 670 N GLU A 41 -2.518 -6.580 -11.669 1.00 40.31 N ATOM 671 CA GLU A 41 -3.184 -5.868 -12.759 1.00 51.03 C ATOM 672 C GLU A 41 -3.969 -4.682 -12.214 1.00 45.02 C ATOM 673 O GLU A 41 -4.009 -3.611 -12.826 1.00 4.00 O ATOM 674 CB GLU A 41 -4.112 -6.799 -13.538 1.00 61.11 C ATOM 675 CG GLU A 41 -3.389 -7.869 -14.338 1.00 20.10 C ATOM 676 CD GLU A 41 -4.329 -8.666 -15.211 1.00 33.44 C ATOM 677 OE1 GLU A 41 -4.713 -8.168 -16.289 1.00 52.14 O ATOM 678 OE2 GLU A 41 -4.689 -9.794 -14.832 1.00 61.14 O ATOM 0 H GLU A 41 -2.800 -7.555 -11.564 1.00 40.31 H new ATOM 0 HA GLU A 41 -2.417 -5.503 -13.441 1.00 51.03 H new ATOM 0 HB2 GLU A 41 -4.794 -7.282 -12.839 1.00 61.11 H new ATOM 0 HB3 GLU A 41 -4.721 -6.202 -14.217 1.00 61.11 H new ATOM 0 HG2 GLU A 41 -2.627 -7.401 -14.961 1.00 20.10 H new ATOM 0 HG3 GLU A 41 -2.872 -8.543 -13.655 1.00 20.10 H new ATOM 685 N LEU A 42 -4.578 -4.876 -11.053 1.00 20.04 N ATOM 686 CA LEU A 42 -5.325 -3.819 -10.391 1.00 64.13 C ATOM 687 C LEU A 42 -4.383 -2.719 -9.935 1.00 14.44 C ATOM 688 O LEU A 42 -4.645 -1.538 -10.146 1.00 64.33 O ATOM 689 CB LEU A 42 -6.087 -4.377 -9.189 1.00 3.35 C ATOM 690 CG LEU A 42 -7.191 -5.378 -9.507 1.00 35.12 C ATOM 691 CD1 LEU A 42 -7.712 -6.014 -8.232 1.00 0.11 C ATOM 692 CD2 LEU A 42 -8.323 -4.696 -10.260 1.00 12.13 C ATOM 0 H LEU A 42 -4.568 -5.762 -10.548 1.00 20.04 H new ATOM 0 HA LEU A 42 -6.041 -3.405 -11.102 1.00 64.13 H new ATOM 0 HB2 LEU A 42 -5.372 -4.855 -8.520 1.00 3.35 H new ATOM 0 HB3 LEU A 42 -6.526 -3.542 -8.643 1.00 3.35 H new ATOM 0 HG LEU A 42 -6.776 -6.162 -10.140 1.00 35.12 H new ATOM 0 HD11 LEU A 42 -8.500 -6.726 -8.476 1.00 0.11 H new ATOM 0 HD12 LEU A 42 -6.898 -6.533 -7.725 1.00 0.11 H new ATOM 0 HD13 LEU A 42 -8.113 -5.240 -7.577 1.00 0.11 H new ATOM 0 HD21 LEU A 42 -9.104 -5.424 -10.480 1.00 12.13 H new ATOM 0 HD22 LEU A 42 -8.736 -3.894 -9.648 1.00 12.13 H new ATOM 0 HD23 LEU A 42 -7.941 -4.280 -11.193 1.00 12.13 H new ATOM 704 N ILE A 43 -3.274 -3.126 -9.322 1.00 2.05 N ATOM 705 CA ILE A 43 -2.264 -2.194 -8.831 1.00 42.33 C ATOM 706 C ILE A 43 -1.765 -1.291 -9.955 1.00 71.31 C ATOM 707 O ILE A 43 -1.732 -0.069 -9.809 1.00 21.43 O ATOM 708 CB ILE A 43 -1.061 -2.942 -8.198 1.00 30.44 C ATOM 709 CG1 ILE A 43 -1.524 -3.817 -7.025 1.00 22.13 C ATOM 710 CG2 ILE A 43 0.012 -1.961 -7.741 1.00 45.01 C ATOM 711 CD1 ILE A 43 -2.179 -3.045 -5.898 1.00 54.51 C ATOM 0 H ILE A 43 -3.051 -4.107 -9.153 1.00 2.05 H new ATOM 0 HA ILE A 43 -2.738 -1.583 -8.063 1.00 42.33 H new ATOM 0 HB ILE A 43 -0.627 -3.588 -8.961 1.00 30.44 H new ATOM 0 HG12 ILE A 43 -2.227 -4.562 -7.397 1.00 22.13 H new ATOM 0 HG13 ILE A 43 -0.665 -4.359 -6.629 1.00 22.13 H new ATOM 0 HG21 ILE A 43 0.844 -2.511 -7.301 1.00 45.01 H new ATOM 0 HG22 ILE A 43 0.368 -1.387 -8.596 1.00 45.01 H new ATOM 0 HG23 ILE A 43 -0.408 -1.283 -6.998 1.00 45.01 H new ATOM 0 HD11 ILE A 43 -2.477 -3.736 -5.109 1.00 54.51 H new ATOM 0 HD12 ILE A 43 -1.473 -2.318 -5.496 1.00 54.51 H new ATOM 0 HD13 ILE A 43 -3.059 -2.525 -6.277 1.00 54.51 H new ATOM 723 N ASN A 44 -1.405 -1.900 -11.085 1.00 12.44 N ATOM 724 CA ASN A 44 -0.921 -1.147 -12.249 1.00 62.13 C ATOM 725 C ASN A 44 -1.974 -0.166 -12.743 1.00 64.43 C ATOM 726 O ASN A 44 -1.646 0.877 -13.306 1.00 61.41 O ATOM 727 CB ASN A 44 -0.502 -2.087 -13.388 1.00 15.23 C ATOM 728 CG ASN A 44 0.866 -2.712 -13.166 1.00 74.41 C ATOM 729 OD1 ASN A 44 1.890 -2.149 -13.553 1.00 42.34 O ATOM 730 ND2 ASN A 44 0.895 -3.880 -12.556 1.00 54.30 N ATOM 0 H ASN A 44 -1.438 -2.910 -11.222 1.00 12.44 H new ATOM 0 HA ASN A 44 -0.044 -0.584 -11.928 1.00 62.13 H new ATOM 0 HB2 ASN A 44 -1.245 -2.878 -13.491 1.00 15.23 H new ATOM 0 HB3 ASN A 44 -0.494 -1.532 -14.326 1.00 15.23 H new ATOM 0 HD21 ASN A 44 1.787 -4.347 -12.391 1.00 54.30 H new ATOM 0 HD22 ASN A 44 0.026 -4.317 -12.249 1.00 54.30 H new ATOM 737 N GLY A 45 -3.234 -0.506 -12.533 1.00 20.45 N ATOM 738 CA GLY A 45 -4.308 0.372 -12.926 1.00 53.11 C ATOM 739 C GLY A 45 -4.457 1.533 -11.967 1.00 51.44 C ATOM 740 O GLY A 45 -4.543 2.689 -12.388 1.00 25.12 O ATOM 0 H GLY A 45 -3.531 -1.378 -12.096 1.00 20.45 H new ATOM 0 HA2 GLY A 45 -4.120 0.751 -13.931 1.00 53.11 H new ATOM 0 HA3 GLY A 45 -5.241 -0.189 -12.967 1.00 53.11 H new ATOM 744 N TYR A 46 -4.466 1.224 -10.670 1.00 2.20 N ATOM 745 CA TYR A 46 -4.596 2.245 -9.634 1.00 53.24 C ATOM 746 C TYR A 46 -3.461 3.258 -9.732 1.00 20.12 C ATOM 747 O TYR A 46 -3.694 4.461 -9.681 1.00 45.15 O ATOM 748 CB TYR A 46 -4.610 1.618 -8.228 1.00 2.15 C ATOM 749 CG TYR A 46 -5.739 0.632 -7.981 1.00 53.31 C ATOM 750 CD1 TYR A 46 -7.033 0.894 -8.418 1.00 63.52 C ATOM 751 CD2 TYR A 46 -5.507 -0.559 -7.302 1.00 32.54 C ATOM 752 CE1 TYR A 46 -8.061 -0.003 -8.187 1.00 70.00 C ATOM 753 CE2 TYR A 46 -6.529 -1.460 -7.068 1.00 45.41 C ATOM 754 CZ TYR A 46 -7.803 -1.179 -7.512 1.00 34.22 C ATOM 755 OH TYR A 46 -8.823 -2.077 -7.284 1.00 40.44 O ATOM 0 H TYR A 46 -4.385 0.272 -10.313 1.00 2.20 H new ATOM 0 HA TYR A 46 -5.546 2.754 -9.795 1.00 53.24 H new ATOM 0 HB2 TYR A 46 -3.660 1.110 -8.063 1.00 2.15 H new ATOM 0 HB3 TYR A 46 -4.677 2.417 -7.490 1.00 2.15 H new ATOM 0 HD1 TYR A 46 -7.239 1.813 -8.947 1.00 63.52 H new ATOM 0 HD2 TYR A 46 -4.511 -0.784 -6.951 1.00 32.54 H new ATOM 0 HE1 TYR A 46 -9.060 0.216 -8.533 1.00 70.00 H new ATOM 0 HE2 TYR A 46 -6.330 -2.380 -6.539 1.00 45.41 H new ATOM 0 HH TYR A 46 -9.455 -1.698 -6.638 1.00 40.44 H new ATOM 765 N ILE A 47 -2.236 2.754 -9.893 1.00 63.35 N ATOM 766 CA ILE A 47 -1.044 3.603 -10.000 1.00 44.44 C ATOM 767 C ILE A 47 -1.222 4.682 -11.067 1.00 4.32 C ATOM 768 O ILE A 47 -0.971 5.865 -10.818 1.00 63.40 O ATOM 769 CB ILE A 47 0.222 2.759 -10.332 1.00 11.14 C ATOM 770 CG1 ILE A 47 0.598 1.866 -9.143 1.00 2.11 C ATOM 771 CG2 ILE A 47 1.398 3.654 -10.727 1.00 73.41 C ATOM 772 CD1 ILE A 47 1.770 0.946 -9.417 1.00 42.42 C ATOM 0 H ILE A 47 -2.041 1.755 -9.953 1.00 63.35 H new ATOM 0 HA ILE A 47 -0.910 4.082 -9.030 1.00 44.44 H new ATOM 0 HB ILE A 47 -0.013 2.122 -11.185 1.00 11.14 H new ATOM 0 HG12 ILE A 47 0.836 2.498 -8.287 1.00 2.11 H new ATOM 0 HG13 ILE A 47 -0.267 1.264 -8.864 1.00 2.11 H new ATOM 0 HG21 ILE A 47 2.266 3.035 -10.953 1.00 73.41 H new ATOM 0 HG22 ILE A 47 1.131 4.239 -11.607 1.00 73.41 H new ATOM 0 HG23 ILE A 47 1.636 4.327 -9.903 1.00 73.41 H new ATOM 0 HD11 ILE A 47 1.977 0.346 -8.531 1.00 42.42 H new ATOM 0 HD12 ILE A 47 1.529 0.288 -10.252 1.00 42.42 H new ATOM 0 HD13 ILE A 47 2.649 1.541 -9.666 1.00 42.42 H new ATOM 784 N GLN A 48 -1.680 4.273 -12.235 1.00 10.12 N ATOM 785 CA GLN A 48 -1.852 5.187 -13.349 1.00 2.41 C ATOM 786 C GLN A 48 -2.970 6.192 -13.085 1.00 53.41 C ATOM 787 O GLN A 48 -2.794 7.387 -13.291 1.00 41.11 O ATOM 788 CB GLN A 48 -2.126 4.414 -14.640 1.00 43.33 C ATOM 789 CG GLN A 48 -1.010 3.449 -15.028 1.00 11.02 C ATOM 790 CD GLN A 48 0.330 4.136 -15.256 1.00 34.11 C ATOM 791 OE1 GLN A 48 0.299 5.361 -15.752 1.00 0.14 O flip ATOM 792 NE2 GLN A 48 1.382 3.558 -15.002 1.00 30.02 N flip ATOM 0 H GLN A 48 -1.941 3.308 -12.438 1.00 10.12 H new ATOM 0 HA GLN A 48 -0.923 5.746 -13.462 1.00 2.41 H new ATOM 0 HB2 GLN A 48 -3.055 3.855 -14.527 1.00 43.33 H new ATOM 0 HB3 GLN A 48 -2.278 5.124 -15.453 1.00 43.33 H new ATOM 0 HG2 GLN A 48 -0.898 2.701 -14.244 1.00 11.02 H new ATOM 0 HG3 GLN A 48 -1.297 2.919 -15.936 1.00 11.02 H new ATOM 0 HE21 GLN A 48 1.365 2.612 -14.620 1.00 30.02 H new ATOM 0 HE22 GLN A 48 2.274 4.023 -15.173 1.00 30.02 H new ATOM 801 N LYS A 49 -4.105 5.707 -12.607 1.00 5.21 N ATOM 802 CA LYS A 49 -5.262 6.567 -12.363 1.00 43.33 C ATOM 803 C LYS A 49 -5.001 7.558 -11.221 1.00 51.41 C ATOM 804 O LYS A 49 -5.416 8.712 -11.279 1.00 45.25 O ATOM 805 CB LYS A 49 -6.501 5.723 -12.047 1.00 71.12 C ATOM 806 CG LYS A 49 -6.852 4.706 -13.126 1.00 52.32 C ATOM 807 CD LYS A 49 -8.062 3.863 -12.737 1.00 74.25 C ATOM 808 CE LYS A 49 -9.360 4.660 -12.813 1.00 43.22 C ATOM 809 NZ LYS A 49 -9.695 5.051 -14.207 1.00 4.13 N ATOM 0 H LYS A 49 -4.254 4.724 -12.379 1.00 5.21 H new ATOM 0 HA LYS A 49 -5.439 7.140 -13.273 1.00 43.33 H new ATOM 0 HB2 LYS A 49 -6.339 5.197 -11.106 1.00 71.12 H new ATOM 0 HB3 LYS A 49 -7.352 6.388 -11.898 1.00 71.12 H new ATOM 0 HG2 LYS A 49 -7.057 5.225 -14.062 1.00 52.32 H new ATOM 0 HG3 LYS A 49 -5.997 4.054 -13.303 1.00 52.32 H new ATOM 0 HD2 LYS A 49 -8.128 2.998 -13.396 1.00 74.25 H new ATOM 0 HD3 LYS A 49 -7.929 3.482 -11.724 1.00 74.25 H new ATOM 0 HE2 LYS A 49 -10.174 4.066 -12.398 1.00 43.22 H new ATOM 0 HE3 LYS A 49 -9.272 5.555 -12.197 1.00 43.22 H new ATOM 0 HZ1 LYS A 49 -10.696 5.327 -14.259 1.00 4.13 H new ATOM 0 HZ2 LYS A 49 -9.099 5.853 -14.495 1.00 4.13 H new ATOM 0 HZ3 LYS A 49 -9.525 4.247 -14.844 1.00 4.13 H new ATOM 823 N ILE A 50 -4.312 7.107 -10.198 1.00 3.24 N ATOM 824 CA ILE A 50 -4.048 7.937 -9.033 1.00 74.23 C ATOM 825 C ILE A 50 -2.935 8.961 -9.284 1.00 70.24 C ATOM 826 O ILE A 50 -3.140 10.166 -9.114 1.00 34.43 O ATOM 827 CB ILE A 50 -3.687 7.075 -7.798 1.00 2.33 C ATOM 828 CG1 ILE A 50 -4.882 6.204 -7.388 1.00 31.53 C ATOM 829 CG2 ILE A 50 -3.243 7.957 -6.637 1.00 52.23 C ATOM 830 CD1 ILE A 50 -4.564 5.209 -6.290 1.00 21.41 C ATOM 0 H ILE A 50 -3.921 6.167 -10.144 1.00 3.24 H new ATOM 0 HA ILE A 50 -4.971 8.482 -8.835 1.00 74.23 H new ATOM 0 HB ILE A 50 -2.857 6.421 -8.065 1.00 2.33 H new ATOM 0 HG12 ILE A 50 -5.694 6.851 -7.056 1.00 31.53 H new ATOM 0 HG13 ILE A 50 -5.243 5.663 -8.263 1.00 31.53 H new ATOM 0 HG21 ILE A 50 -2.994 7.332 -5.780 1.00 52.23 H new ATOM 0 HG22 ILE A 50 -2.366 8.533 -6.933 1.00 52.23 H new ATOM 0 HG23 ILE A 50 -4.051 8.638 -6.367 1.00 52.23 H new ATOM 0 HD11 ILE A 50 -5.457 4.630 -6.054 1.00 21.41 H new ATOM 0 HD12 ILE A 50 -3.774 4.537 -6.625 1.00 21.41 H new ATOM 0 HD13 ILE A 50 -4.232 5.743 -5.400 1.00 21.41 H new ATOM 842 N LYS A 51 -1.774 8.486 -9.716 1.00 52.43 N ATOM 843 CA LYS A 51 -0.603 9.352 -9.861 1.00 71.44 C ATOM 844 C LYS A 51 -0.762 10.376 -10.989 1.00 33.22 C ATOM 845 O LYS A 51 -0.092 11.411 -10.995 1.00 13.44 O ATOM 846 CB LYS A 51 0.658 8.519 -10.067 1.00 2.23 C ATOM 847 CG LYS A 51 1.937 9.270 -9.753 1.00 24.25 C ATOM 848 CD LYS A 51 3.144 8.362 -9.828 1.00 63.43 C ATOM 849 CE LYS A 51 4.372 9.040 -9.257 1.00 10.32 C ATOM 850 NZ LYS A 51 5.550 8.146 -9.272 1.00 61.02 N ATOM 0 H LYS A 51 -1.615 7.512 -9.972 1.00 52.43 H new ATOM 0 HA LYS A 51 -0.510 9.916 -8.933 1.00 71.44 H new ATOM 0 HB2 LYS A 51 0.604 7.631 -9.438 1.00 2.23 H new ATOM 0 HB3 LYS A 51 0.692 8.176 -11.101 1.00 2.23 H new ATOM 0 HG2 LYS A 51 2.057 10.096 -10.454 1.00 24.25 H new ATOM 0 HG3 LYS A 51 1.869 9.706 -8.756 1.00 24.25 H new ATOM 0 HD2 LYS A 51 2.945 7.441 -9.280 1.00 63.43 H new ATOM 0 HD3 LYS A 51 3.328 8.082 -10.865 1.00 63.43 H new ATOM 0 HE2 LYS A 51 4.591 9.940 -9.832 1.00 10.32 H new ATOM 0 HE3 LYS A 51 4.169 9.357 -8.234 1.00 10.32 H new ATOM 0 HZ1 LYS A 51 6.054 8.220 -8.365 1.00 61.02 H new ATOM 0 HZ2 LYS A 51 5.239 7.164 -9.416 1.00 61.02 H new ATOM 0 HZ3 LYS A 51 6.187 8.424 -10.046 1.00 61.02 H new ATOM 864 N SER A 52 -1.648 10.104 -11.930 1.00 35.53 N ATOM 865 CA SER A 52 -1.873 11.028 -13.031 1.00 34.10 C ATOM 866 C SER A 52 -2.827 12.154 -12.626 1.00 3.00 C ATOM 867 O SER A 52 -3.201 12.989 -13.446 1.00 62.21 O ATOM 868 CB SER A 52 -2.391 10.288 -14.252 1.00 21.11 C ATOM 869 OG SER A 52 -1.467 9.286 -14.650 1.00 34.54 O ATOM 0 H SER A 52 -2.220 9.260 -11.956 1.00 35.53 H new ATOM 0 HA SER A 52 -0.917 11.484 -13.288 1.00 34.10 H new ATOM 0 HB2 SER A 52 -3.356 9.834 -14.028 1.00 21.11 H new ATOM 0 HB3 SER A 52 -2.551 10.990 -15.070 1.00 21.11 H new ATOM 0 HG SER A 52 -1.782 8.410 -14.344 1.00 34.54 H new ATOM 875 N GLY A 53 -3.211 12.168 -11.354 1.00 24.12 N ATOM 876 CA GLY A 53 -4.065 13.221 -10.848 1.00 11.02 C ATOM 877 C GLY A 53 -5.521 13.028 -11.205 1.00 32.41 C ATOM 878 O GLY A 53 -6.292 13.988 -11.236 1.00 63.23 O ATOM 0 H GLY A 53 -2.944 11.466 -10.664 1.00 24.12 H new ATOM 0 HA2 GLY A 53 -3.967 13.270 -9.764 1.00 11.02 H new ATOM 0 HA3 GLY A 53 -3.724 14.178 -11.243 1.00 11.02 H new ATOM 882 N GLU A 54 -5.902 11.798 -11.473 1.00 71.21 N ATOM 883 CA GLU A 54 -7.276 11.499 -11.810 1.00 1.33 C ATOM 884 C GLU A 54 -8.026 11.067 -10.557 1.00 73.51 C ATOM 885 O GLU A 54 -8.966 11.736 -10.117 1.00 12.31 O ATOM 886 CB GLU A 54 -7.337 10.399 -12.873 1.00 32.13 C ATOM 887 CG GLU A 54 -8.722 10.159 -13.439 1.00 44.30 C ATOM 888 CD GLU A 54 -9.196 11.302 -14.309 1.00 13.44 C ATOM 889 OE1 GLU A 54 -9.155 11.166 -15.552 1.00 32.22 O ATOM 890 OE2 GLU A 54 -9.604 12.347 -13.763 1.00 74.13 O ATOM 0 H GLU A 54 -5.280 10.990 -11.464 1.00 71.21 H new ATOM 0 HA GLU A 54 -7.746 12.394 -12.217 1.00 1.33 H new ATOM 0 HB2 GLU A 54 -6.663 10.660 -13.689 1.00 32.13 H new ATOM 0 HB3 GLU A 54 -6.968 9.470 -12.440 1.00 32.13 H new ATOM 0 HG2 GLU A 54 -8.718 9.239 -14.023 1.00 44.30 H new ATOM 0 HG3 GLU A 54 -9.426 10.014 -12.620 1.00 44.30 H new ATOM 897 N GLU A 55 -7.585 9.967 -9.973 1.00 64.40 N ATOM 898 CA GLU A 55 -8.195 9.434 -8.768 1.00 33.34 C ATOM 899 C GLU A 55 -7.361 9.801 -7.547 1.00 53.23 C ATOM 900 O GLU A 55 -6.165 10.079 -7.664 1.00 23.44 O ATOM 901 CB GLU A 55 -8.328 7.913 -8.872 1.00 41.22 C ATOM 902 CG GLU A 55 -9.199 7.440 -10.029 1.00 73.33 C ATOM 903 CD GLU A 55 -10.651 7.847 -9.878 1.00 40.24 C ATOM 904 OE1 GLU A 55 -11.445 7.042 -9.344 1.00 64.34 O ATOM 905 OE2 GLU A 55 -11.012 8.963 -10.308 1.00 53.44 O ATOM 0 H GLU A 55 -6.797 9.420 -10.319 1.00 64.40 H new ATOM 0 HA GLU A 55 -9.188 9.869 -8.659 1.00 33.34 H new ATOM 0 HB2 GLU A 55 -7.334 7.479 -8.979 1.00 41.22 H new ATOM 0 HB3 GLU A 55 -8.743 7.531 -7.939 1.00 41.22 H new ATOM 0 HG2 GLU A 55 -8.808 7.847 -10.962 1.00 73.33 H new ATOM 0 HG3 GLU A 55 -9.137 6.354 -10.104 1.00 73.33 H new ATOM 912 N ASP A 56 -7.990 9.803 -6.384 1.00 74.14 N ATOM 913 CA ASP A 56 -7.307 10.140 -5.138 1.00 34.25 C ATOM 914 C ASP A 56 -6.903 8.876 -4.386 1.00 12.01 C ATOM 915 O ASP A 56 -7.737 8.008 -4.132 1.00 61.13 O ATOM 916 CB ASP A 56 -8.206 11.011 -4.263 1.00 2.31 C ATOM 917 CG ASP A 56 -7.619 11.271 -2.896 1.00 23.14 C ATOM 918 OD1 ASP A 56 -8.015 10.583 -1.938 1.00 43.45 O ATOM 919 OD2 ASP A 56 -6.756 12.171 -2.773 1.00 52.15 O ATOM 0 H ASP A 56 -8.978 9.574 -6.272 1.00 74.14 H new ATOM 0 HA ASP A 56 -6.403 10.699 -5.381 1.00 34.25 H new ATOM 0 HB2 ASP A 56 -8.382 11.963 -4.765 1.00 2.31 H new ATOM 0 HB3 ASP A 56 -9.176 10.526 -4.151 1.00 2.31 H new ATOM 924 N PHE A 57 -5.628 8.787 -4.022 1.00 60.11 N ATOM 925 CA PHE A 57 -5.090 7.607 -3.343 1.00 4.41 C ATOM 926 C PHE A 57 -5.863 7.277 -2.075 1.00 42.14 C ATOM 927 O PHE A 57 -6.304 6.151 -1.899 1.00 55.54 O ATOM 928 CB PHE A 57 -3.607 7.795 -3.013 1.00 60.23 C ATOM 929 CG PHE A 57 -2.938 6.550 -2.488 1.00 31.21 C ATOM 930 CD1 PHE A 57 -2.332 5.657 -3.354 1.00 34.15 C ATOM 931 CD2 PHE A 57 -2.918 6.272 -1.130 1.00 53.41 C ATOM 932 CE1 PHE A 57 -1.721 4.516 -2.880 1.00 1.13 C ATOM 933 CE2 PHE A 57 -2.309 5.130 -0.650 1.00 53.31 C ATOM 934 CZ PHE A 57 -1.710 4.251 -1.526 1.00 32.35 C ATOM 0 H PHE A 57 -4.941 9.523 -4.186 1.00 60.11 H new ATOM 0 HA PHE A 57 -5.200 6.769 -4.032 1.00 4.41 H new ATOM 0 HB2 PHE A 57 -3.084 8.127 -3.910 1.00 60.23 H new ATOM 0 HB3 PHE A 57 -3.507 8.589 -2.274 1.00 60.23 H new ATOM 0 HD1 PHE A 57 -2.338 5.857 -4.415 1.00 34.15 H new ATOM 0 HD2 PHE A 57 -3.385 6.958 -0.439 1.00 53.41 H new ATOM 0 HE1 PHE A 57 -1.251 3.829 -3.568 1.00 1.13 H new ATOM 0 HE2 PHE A 57 -2.302 4.926 0.410 1.00 53.31 H new ATOM 0 HZ PHE A 57 -1.233 3.357 -1.154 1.00 32.35 H new ATOM 944 N GLU A 58 -6.029 8.265 -1.203 1.00 13.13 N ATOM 945 CA GLU A 58 -6.723 8.061 0.073 1.00 53.32 C ATOM 946 C GLU A 58 -8.145 7.548 -0.136 1.00 43.12 C ATOM 947 O GLU A 58 -8.638 6.727 0.638 1.00 13.10 O ATOM 948 CB GLU A 58 -6.751 9.351 0.882 1.00 73.42 C ATOM 949 CG GLU A 58 -5.389 9.809 1.364 1.00 72.41 C ATOM 950 CD GLU A 58 -5.475 11.084 2.159 1.00 62.34 C ATOM 951 OE1 GLU A 58 -5.649 11.016 3.391 1.00 11.14 O ATOM 952 OE2 GLU A 58 -5.394 12.176 1.551 1.00 44.31 O ATOM 0 H GLU A 58 -5.694 9.217 -1.352 1.00 13.13 H new ATOM 0 HA GLU A 58 -6.168 7.304 0.627 1.00 53.32 H new ATOM 0 HB2 GLU A 58 -7.193 10.140 0.273 1.00 73.42 H new ATOM 0 HB3 GLU A 58 -7.402 9.212 1.745 1.00 73.42 H new ATOM 0 HG2 GLU A 58 -4.939 9.028 1.977 1.00 72.41 H new ATOM 0 HG3 GLU A 58 -4.732 9.959 0.507 1.00 72.41 H new ATOM 959 N SER A 59 -8.790 8.021 -1.188 1.00 4.53 N ATOM 960 CA SER A 59 -10.140 7.602 -1.502 1.00 44.45 C ATOM 961 C SER A 59 -10.165 6.130 -1.889 1.00 21.10 C ATOM 962 O SER A 59 -11.019 5.369 -1.433 1.00 73.42 O ATOM 963 CB SER A 59 -10.709 8.468 -2.622 1.00 53.43 C ATOM 964 OG SER A 59 -10.635 9.848 -2.276 1.00 1.31 O ATOM 0 H SER A 59 -8.396 8.699 -1.841 1.00 4.53 H new ATOM 0 HA SER A 59 -10.763 7.728 -0.617 1.00 44.45 H new ATOM 0 HB2 SER A 59 -10.156 8.289 -3.544 1.00 53.43 H new ATOM 0 HB3 SER A 59 -11.746 8.190 -2.813 1.00 53.43 H new ATOM 0 HG SER A 59 -9.701 10.093 -2.108 1.00 1.31 H new ATOM 970 N LEU A 60 -9.209 5.719 -2.707 1.00 3.34 N ATOM 971 CA LEU A 60 -9.125 4.335 -3.121 1.00 20.23 C ATOM 972 C LEU A 60 -8.583 3.462 -2.000 1.00 51.32 C ATOM 973 O LEU A 60 -8.948 2.301 -1.880 1.00 61.31 O ATOM 974 CB LEU A 60 -8.293 4.176 -4.399 1.00 20.10 C ATOM 975 CG LEU A 60 -9.023 4.524 -5.705 1.00 70.33 C ATOM 976 CD1 LEU A 60 -9.230 6.018 -5.849 1.00 51.13 C ATOM 977 CD2 LEU A 60 -8.285 3.961 -6.908 1.00 72.23 C ATOM 0 H LEU A 60 -8.485 6.324 -3.094 1.00 3.34 H new ATOM 0 HA LEU A 60 -10.137 4.000 -3.349 1.00 20.23 H new ATOM 0 HB2 LEU A 60 -7.408 4.807 -4.318 1.00 20.10 H new ATOM 0 HB3 LEU A 60 -7.945 3.145 -4.460 1.00 20.10 H new ATOM 0 HG LEU A 60 -10.008 4.059 -5.661 1.00 70.33 H new ATOM 0 HD11 LEU A 60 -9.749 6.225 -6.785 1.00 51.13 H new ATOM 0 HD12 LEU A 60 -9.827 6.385 -5.014 1.00 51.13 H new ATOM 0 HD13 LEU A 60 -8.263 6.521 -5.852 1.00 51.13 H new ATOM 0 HD21 LEU A 60 -8.823 4.222 -7.820 1.00 72.23 H new ATOM 0 HD22 LEU A 60 -7.280 4.381 -6.947 1.00 72.23 H new ATOM 0 HD23 LEU A 60 -8.222 2.876 -6.821 1.00 72.23 H new ATOM 989 N ALA A 61 -7.735 4.036 -1.163 1.00 34.51 N ATOM 990 CA ALA A 61 -7.183 3.321 -0.018 1.00 13.45 C ATOM 991 C ALA A 61 -8.258 3.081 1.029 1.00 22.31 C ATOM 992 O ALA A 61 -8.107 2.251 1.912 1.00 60.02 O ATOM 993 CB ALA A 61 -6.014 4.087 0.582 1.00 45.12 C ATOM 0 H ALA A 61 -7.411 4.999 -1.253 1.00 34.51 H new ATOM 0 HA ALA A 61 -6.816 2.354 -0.363 1.00 13.45 H new ATOM 0 HB1 ALA A 61 -5.617 3.536 1.435 1.00 45.12 H new ATOM 0 HB2 ALA A 61 -5.233 4.205 -0.169 1.00 45.12 H new ATOM 0 HB3 ALA A 61 -6.353 5.069 0.911 1.00 45.12 H new ATOM 999 N SER A 62 -9.347 3.812 0.913 1.00 14.42 N ATOM 1000 CA SER A 62 -10.457 3.671 1.821 1.00 61.25 C ATOM 1001 C SER A 62 -11.535 2.775 1.198 1.00 11.40 C ATOM 1002 O SER A 62 -12.600 2.566 1.782 1.00 32.13 O ATOM 1003 CB SER A 62 -11.036 5.058 2.149 1.00 71.24 C ATOM 1004 OG SER A 62 -11.908 5.006 3.266 1.00 60.43 O ATOM 0 H SER A 62 -9.484 4.517 0.188 1.00 14.42 H new ATOM 0 HA SER A 62 -10.111 3.205 2.744 1.00 61.25 H new ATOM 0 HB2 SER A 62 -10.222 5.754 2.353 1.00 71.24 H new ATOM 0 HB3 SER A 62 -11.575 5.443 1.283 1.00 71.24 H new ATOM 0 HG SER A 62 -11.556 4.373 3.926 1.00 60.43 H new ATOM 1010 N GLN A 63 -11.245 2.233 0.015 1.00 63.40 N ATOM 1011 CA GLN A 63 -12.219 1.414 -0.698 1.00 10.42 C ATOM 1012 C GLN A 63 -11.631 0.088 -1.187 1.00 61.55 C ATOM 1013 O GLN A 63 -12.283 -0.946 -1.108 1.00 53.45 O ATOM 1014 CB GLN A 63 -12.790 2.188 -1.888 1.00 63.44 C ATOM 1015 CG GLN A 63 -13.626 3.398 -1.499 1.00 21.23 C ATOM 1016 CD GLN A 63 -14.087 4.206 -2.698 1.00 41.13 C ATOM 1017 OE1 GLN A 63 -13.281 4.232 -3.743 1.00 31.24 O flip ATOM 1018 NE2 GLN A 63 -15.156 4.808 -2.679 1.00 61.44 N flip ATOM 0 H GLN A 63 -10.352 2.346 -0.464 1.00 63.40 H new ATOM 0 HA GLN A 63 -13.012 1.179 0.012 1.00 10.42 H new ATOM 0 HB2 GLN A 63 -11.967 2.517 -2.522 1.00 63.44 H new ATOM 0 HB3 GLN A 63 -13.403 1.514 -2.486 1.00 63.44 H new ATOM 0 HG2 GLN A 63 -14.497 3.065 -0.934 1.00 21.23 H new ATOM 0 HG3 GLN A 63 -13.043 4.039 -0.837 1.00 21.23 H new ATOM 0 HE21 GLN A 63 -15.752 4.763 -1.852 1.00 61.44 H new ATOM 0 HE22 GLN A 63 -15.449 5.353 -3.490 1.00 61.44 H new ATOM 1027 N PHE A 64 -10.411 0.122 -1.690 1.00 15.34 N ATOM 1028 CA PHE A 64 -9.796 -1.068 -2.271 1.00 61.43 C ATOM 1029 C PHE A 64 -8.689 -1.636 -1.393 1.00 5.34 C ATOM 1030 O PHE A 64 -7.898 -2.459 -1.837 1.00 70.42 O ATOM 1031 CB PHE A 64 -9.258 -0.751 -3.667 1.00 22.13 C ATOM 1032 CG PHE A 64 -10.318 -0.265 -4.611 1.00 63.51 C ATOM 1033 CD1 PHE A 64 -10.439 1.083 -4.905 1.00 71.00 C ATOM 1034 CD2 PHE A 64 -11.201 -1.156 -5.197 1.00 54.41 C ATOM 1035 CE1 PHE A 64 -11.421 1.532 -5.765 1.00 61.03 C ATOM 1036 CE2 PHE A 64 -12.183 -0.713 -6.057 1.00 71.13 C ATOM 1037 CZ PHE A 64 -12.293 0.633 -6.341 1.00 44.10 C ATOM 0 H PHE A 64 -9.824 0.956 -1.710 1.00 15.34 H new ATOM 0 HA PHE A 64 -10.570 -1.832 -2.344 1.00 61.43 H new ATOM 0 HB2 PHE A 64 -8.478 0.006 -3.586 1.00 22.13 H new ATOM 0 HB3 PHE A 64 -8.793 -1.645 -4.082 1.00 22.13 H new ATOM 0 HD1 PHE A 64 -9.758 1.791 -4.456 1.00 71.00 H new ATOM 0 HD2 PHE A 64 -11.119 -2.210 -4.978 1.00 54.41 H new ATOM 0 HE1 PHE A 64 -11.506 2.586 -5.986 1.00 61.03 H new ATOM 0 HE2 PHE A 64 -12.865 -1.418 -6.508 1.00 71.13 H new ATOM 0 HZ PHE A 64 -13.062 0.982 -7.014 1.00 44.10 H new ATOM 1047 N SER A 65 -8.641 -1.204 -0.155 1.00 61.01 N ATOM 1048 CA SER A 65 -7.652 -1.712 0.769 1.00 35.10 C ATOM 1049 C SER A 65 -8.289 -2.768 1.666 1.00 70.32 C ATOM 1050 O SER A 65 -9.255 -2.489 2.377 1.00 65.05 O ATOM 1051 CB SER A 65 -7.070 -0.570 1.612 1.00 14.21 C ATOM 1052 OG SER A 65 -5.891 -0.971 2.302 1.00 61.20 O ATOM 0 H SER A 65 -9.272 -0.505 0.236 1.00 61.01 H new ATOM 0 HA SER A 65 -6.837 -2.167 0.206 1.00 35.10 H new ATOM 0 HB2 SER A 65 -6.843 0.279 0.967 1.00 14.21 H new ATOM 0 HB3 SER A 65 -7.816 -0.233 2.332 1.00 14.21 H new ATOM 0 HG SER A 65 -5.547 -0.218 2.827 1.00 61.20 H new ATOM 1058 N ASP A 66 -7.750 -3.982 1.619 1.00 24.32 N ATOM 1059 CA ASP A 66 -8.263 -5.089 2.431 1.00 24.24 C ATOM 1060 C ASP A 66 -7.794 -4.962 3.872 1.00 4.12 C ATOM 1061 O ASP A 66 -8.161 -5.761 4.739 1.00 20.21 O ATOM 1062 CB ASP A 66 -7.828 -6.446 1.858 1.00 45.24 C ATOM 1063 CG ASP A 66 -8.517 -6.788 0.553 1.00 34.21 C ATOM 1064 OD1 ASP A 66 -9.765 -6.850 0.533 1.00 1.52 O ATOM 1065 OD2 ASP A 66 -7.817 -7.015 -0.456 1.00 24.41 O ATOM 0 H ASP A 66 -6.957 -4.228 1.027 1.00 24.32 H new ATOM 0 HA ASP A 66 -9.352 -5.037 2.407 1.00 24.24 H new ATOM 0 HB2 ASP A 66 -6.749 -6.439 1.701 1.00 45.24 H new ATOM 0 HB3 ASP A 66 -8.039 -7.227 2.589 1.00 45.24 H new ATOM 1070 N CYS A 67 -6.977 -3.960 4.115 1.00 44.33 N ATOM 1071 CA CYS A 67 -6.456 -3.681 5.434 1.00 3.13 C ATOM 1072 C CYS A 67 -7.418 -2.757 6.178 1.00 13.40 C ATOM 1073 O CYS A 67 -8.173 -2.008 5.552 1.00 22.21 O ATOM 1074 CB CYS A 67 -5.072 -3.025 5.303 1.00 31.41 C ATOM 1075 SG CYS A 67 -4.273 -2.589 6.864 1.00 31.32 S ATOM 0 H CYS A 67 -6.654 -3.312 3.397 1.00 44.33 H new ATOM 0 HA CYS A 67 -6.357 -4.608 5.999 1.00 3.13 H new ATOM 0 HB2 CYS A 67 -4.417 -3.703 4.756 1.00 31.41 H new ATOM 0 HB3 CYS A 67 -5.172 -2.122 4.700 1.00 31.41 H new ATOM 0 HG CYS A 67 -3.116 -2.048 6.623 1.00 31.32 H new ATOM 1081 N SER A 68 -7.386 -2.798 7.508 1.00 51.32 N ATOM 1082 CA SER A 68 -8.253 -1.949 8.321 1.00 12.44 C ATOM 1083 C SER A 68 -7.834 -0.482 8.218 1.00 65.50 C ATOM 1084 O SER A 68 -8.494 0.404 8.743 1.00 73.31 O ATOM 1085 CB SER A 68 -8.244 -2.417 9.775 1.00 3.41 C ATOM 1086 OG SER A 68 -8.660 -3.774 9.867 1.00 2.44 O ATOM 0 H SER A 68 -6.770 -3.409 8.045 1.00 51.32 H new ATOM 0 HA SER A 68 -9.270 -2.033 7.939 1.00 12.44 H new ATOM 0 HB2 SER A 68 -7.242 -2.309 10.191 1.00 3.41 H new ATOM 0 HB3 SER A 68 -8.906 -1.787 10.369 1.00 3.41 H new ATOM 0 HG SER A 68 -8.647 -4.057 10.805 1.00 2.44 H new ATOM 1092 N SER A 69 -6.735 -0.244 7.525 1.00 33.02 N ATOM 1093 CA SER A 69 -6.244 1.093 7.276 1.00 14.32 C ATOM 1094 C SER A 69 -7.236 1.855 6.396 1.00 34.23 C ATOM 1095 O SER A 69 -7.228 3.086 6.354 1.00 11.04 O ATOM 1096 CB SER A 69 -4.870 1.026 6.609 1.00 15.31 C ATOM 1097 OG SER A 69 -4.226 2.289 6.606 1.00 3.54 O ATOM 0 H SER A 69 -6.157 -0.979 7.118 1.00 33.02 H new ATOM 0 HA SER A 69 -6.143 1.623 8.223 1.00 14.32 H new ATOM 0 HB2 SER A 69 -4.247 0.301 7.132 1.00 15.31 H new ATOM 0 HB3 SER A 69 -4.980 0.671 5.584 1.00 15.31 H new ATOM 0 HG SER A 69 -3.263 2.165 6.737 1.00 3.54 H new ATOM 1103 N ALA A 70 -8.081 1.103 5.685 1.00 40.25 N ATOM 1104 CA ALA A 70 -9.093 1.674 4.810 1.00 43.22 C ATOM 1105 C ALA A 70 -9.960 2.700 5.542 1.00 62.10 C ATOM 1106 O ALA A 70 -10.297 3.743 4.988 1.00 73.42 O ATOM 1107 CB ALA A 70 -9.963 0.573 4.224 1.00 62.41 C ATOM 0 H ALA A 70 -8.078 0.083 5.704 1.00 40.25 H new ATOM 0 HA ALA A 70 -8.577 2.193 4.002 1.00 43.22 H new ATOM 0 HB1 ALA A 70 -10.716 1.013 3.571 1.00 62.41 H new ATOM 0 HB2 ALA A 70 -9.342 -0.114 3.650 1.00 62.41 H new ATOM 0 HB3 ALA A 70 -10.455 0.030 5.031 1.00 62.41 H new ATOM 1113 N LYS A 71 -10.298 2.421 6.801 1.00 72.31 N ATOM 1114 CA LYS A 71 -11.133 3.341 7.578 1.00 43.23 C ATOM 1115 C LYS A 71 -10.333 4.534 8.108 1.00 51.13 C ATOM 1116 O LYS A 71 -10.866 5.396 8.801 1.00 44.51 O ATOM 1117 CB LYS A 71 -11.886 2.608 8.717 1.00 11.25 C ATOM 1118 CG LYS A 71 -11.019 1.737 9.638 1.00 42.15 C ATOM 1119 CD LYS A 71 -10.140 2.556 10.584 1.00 23.22 C ATOM 1120 CE LYS A 71 -10.966 3.324 11.612 1.00 3.44 C ATOM 1121 NZ LYS A 71 -11.813 2.424 12.433 1.00 21.40 N ATOM 0 H LYS A 71 -10.012 1.579 7.300 1.00 72.31 H new ATOM 0 HA LYS A 71 -11.884 3.739 6.896 1.00 43.23 H new ATOM 0 HB2 LYS A 71 -12.397 3.353 9.327 1.00 11.25 H new ATOM 0 HB3 LYS A 71 -12.656 1.978 8.272 1.00 11.25 H new ATOM 0 HG2 LYS A 71 -11.665 1.085 10.225 1.00 42.15 H new ATOM 0 HG3 LYS A 71 -10.385 1.093 9.028 1.00 42.15 H new ATOM 0 HD2 LYS A 71 -9.446 1.892 11.100 1.00 23.22 H new ATOM 0 HD3 LYS A 71 -9.539 3.257 10.005 1.00 23.22 H new ATOM 0 HE2 LYS A 71 -10.299 3.888 12.264 1.00 3.44 H new ATOM 0 HE3 LYS A 71 -11.599 4.049 11.100 1.00 3.44 H new ATOM 0 HZ1 LYS A 71 -12.170 2.943 13.260 1.00 21.40 H new ATOM 0 HZ2 LYS A 71 -12.615 2.086 11.863 1.00 21.40 H new ATOM 0 HZ3 LYS A 71 -11.248 1.611 12.752 1.00 21.40 H new ATOM 1135 N ALA A 72 -9.059 4.570 7.778 1.00 22.25 N ATOM 1136 CA ALA A 72 -8.192 5.658 8.177 1.00 12.04 C ATOM 1137 C ALA A 72 -7.636 6.354 6.942 1.00 73.22 C ATOM 1138 O ALA A 72 -6.624 7.051 7.014 1.00 14.31 O ATOM 1139 CB ALA A 72 -7.062 5.138 9.054 1.00 63.04 C ATOM 0 H ALA A 72 -8.596 3.847 7.227 1.00 22.25 H new ATOM 0 HA ALA A 72 -8.769 6.380 8.756 1.00 12.04 H new ATOM 0 HB1 ALA A 72 -6.418 5.967 9.347 1.00 63.04 H new ATOM 0 HB2 ALA A 72 -7.479 4.670 9.946 1.00 63.04 H new ATOM 0 HB3 ALA A 72 -6.479 4.404 8.498 1.00 63.04 H new ATOM 1145 N ARG A 73 -8.311 6.139 5.798 1.00 5.02 N ATOM 1146 CA ARG A 73 -7.911 6.732 4.508 1.00 0.01 C ATOM 1147 C ARG A 73 -6.567 6.186 4.029 1.00 70.45 C ATOM 1148 O ARG A 73 -5.951 6.734 3.119 1.00 2.43 O ATOM 1149 CB ARG A 73 -7.875 8.267 4.598 1.00 51.13 C ATOM 1150 CG ARG A 73 -9.253 8.907 4.641 1.00 11.40 C ATOM 1151 CD ARG A 73 -9.187 10.378 5.032 1.00 34.22 C ATOM 1152 NE ARG A 73 -8.334 11.163 4.136 1.00 54.32 N ATOM 1153 CZ ARG A 73 -8.680 12.337 3.599 1.00 71.34 C ATOM 1154 NH1 ARG A 73 -9.870 12.870 3.852 1.00 43.24 N ATOM 1155 NH2 ARG A 73 -7.833 12.975 2.812 1.00 64.01 N ATOM 0 H ARG A 73 -9.144 5.553 5.741 1.00 5.02 H new ATOM 0 HA ARG A 73 -8.663 6.448 3.771 1.00 0.01 H new ATOM 0 HB2 ARG A 73 -7.321 8.557 5.491 1.00 51.13 H new ATOM 0 HB3 ARG A 73 -7.328 8.660 3.741 1.00 51.13 H new ATOM 0 HG2 ARG A 73 -9.727 8.812 3.664 1.00 11.40 H new ATOM 0 HG3 ARG A 73 -9.880 8.370 5.353 1.00 11.40 H new ATOM 0 HD2 ARG A 73 -10.193 10.796 5.028 1.00 34.22 H new ATOM 0 HD3 ARG A 73 -8.811 10.462 6.052 1.00 34.22 H new ATOM 0 HE ARG A 73 -7.414 10.788 3.906 1.00 54.32 H new ATOM 0 HH11 ARG A 73 -10.528 12.383 4.460 1.00 43.24 H new ATOM 0 HH12 ARG A 73 -10.126 13.766 3.438 1.00 43.24 H new ATOM 0 HH21 ARG A 73 -6.917 12.572 2.615 1.00 64.01 H new ATOM 0 HH22 ARG A 73 -8.095 13.871 2.401 1.00 64.01 H new ATOM 1169 N GLY A 74 -6.128 5.094 4.643 1.00 44.01 N ATOM 1170 CA GLY A 74 -4.870 4.485 4.272 1.00 52.12 C ATOM 1171 C GLY A 74 -3.671 5.255 4.791 1.00 40.51 C ATOM 1172 O GLY A 74 -2.531 4.896 4.508 1.00 73.41 O ATOM 0 H GLY A 74 -6.626 4.619 5.396 1.00 44.01 H new ATOM 0 HA2 GLY A 74 -4.837 3.466 4.658 1.00 52.12 H new ATOM 0 HA3 GLY A 74 -4.810 4.417 3.186 1.00 52.12 H new ATOM 1176 N ASP A 75 -3.926 6.302 5.556 1.00 2.42 N ATOM 1177 CA ASP A 75 -2.862 7.142 6.093 1.00 3.32 C ATOM 1178 C ASP A 75 -2.293 6.550 7.376 1.00 22.10 C ATOM 1179 O ASP A 75 -3.038 6.198 8.294 1.00 51.04 O ATOM 1180 CB ASP A 75 -3.382 8.564 6.342 1.00 3.23 C ATOM 1181 CG ASP A 75 -2.379 9.448 7.062 1.00 21.25 C ATOM 1182 OD1 ASP A 75 -2.710 9.954 8.156 1.00 1.04 O ATOM 1183 OD2 ASP A 75 -1.263 9.645 6.544 1.00 11.12 O ATOM 0 H ASP A 75 -4.866 6.595 5.822 1.00 2.42 H new ATOM 0 HA ASP A 75 -2.059 7.186 5.358 1.00 3.32 H new ATOM 0 HB2 ASP A 75 -3.641 9.022 5.387 1.00 3.23 H new ATOM 0 HB3 ASP A 75 -4.299 8.511 6.930 1.00 3.23 H new ATOM 1188 N LEU A 76 -0.976 6.426 7.426 1.00 23.10 N ATOM 1189 CA LEU A 76 -0.295 5.887 8.600 1.00 4.41 C ATOM 1190 C LEU A 76 0.220 7.001 9.492 1.00 41.32 C ATOM 1191 O LEU A 76 0.626 6.759 10.633 1.00 74.13 O ATOM 1192 CB LEU A 76 0.876 4.994 8.178 1.00 34.21 C ATOM 1193 CG LEU A 76 0.508 3.641 7.581 1.00 20.12 C ATOM 1194 CD1 LEU A 76 1.738 2.969 6.993 1.00 63.12 C ATOM 1195 CD2 LEU A 76 -0.124 2.752 8.642 1.00 53.22 C ATOM 0 H LEU A 76 -0.352 6.692 6.664 1.00 23.10 H new ATOM 0 HA LEU A 76 -1.020 5.295 9.159 1.00 4.41 H new ATOM 0 HB2 LEU A 76 1.477 5.538 7.449 1.00 34.21 H new ATOM 0 HB3 LEU A 76 1.509 4.824 9.049 1.00 34.21 H new ATOM 0 HG LEU A 76 -0.216 3.799 6.781 1.00 20.12 H new ATOM 0 HD11 LEU A 76 1.458 2.004 6.571 1.00 63.12 H new ATOM 0 HD12 LEU A 76 2.158 3.600 6.210 1.00 63.12 H new ATOM 0 HD13 LEU A 76 2.481 2.821 7.777 1.00 63.12 H new ATOM 0 HD21 LEU A 76 -0.382 1.788 8.203 1.00 53.22 H new ATOM 0 HD22 LEU A 76 0.583 2.601 9.458 1.00 53.22 H new ATOM 0 HD23 LEU A 76 -1.026 3.229 9.026 1.00 53.22 H new ATOM 1207 N GLY A 77 0.200 8.218 8.978 1.00 71.42 N ATOM 1208 CA GLY A 77 0.721 9.331 9.729 1.00 45.53 C ATOM 1209 C GLY A 77 2.234 9.347 9.700 1.00 53.13 C ATOM 1210 O GLY A 77 2.847 8.675 8.870 1.00 51.33 O ATOM 0 H GLY A 77 -0.167 8.453 8.056 1.00 71.42 H new ATOM 0 HA2 GLY A 77 0.336 10.264 9.317 1.00 45.53 H new ATOM 0 HA3 GLY A 77 0.375 9.272 10.761 1.00 45.53 H new ATOM 1214 N ALA A 78 2.834 10.105 10.590 1.00 64.31 N ATOM 1215 CA ALA A 78 4.278 10.189 10.654 1.00 40.23 C ATOM 1216 C ALA A 78 4.839 9.064 11.510 1.00 41.44 C ATOM 1217 O ALA A 78 4.484 8.928 12.684 1.00 43.44 O ATOM 1218 CB ALA A 78 4.705 11.541 11.204 1.00 30.13 C ATOM 0 H ALA A 78 2.345 10.674 11.281 1.00 64.31 H new ATOM 0 HA ALA A 78 4.677 10.084 9.645 1.00 40.23 H new ATOM 0 HB1 ALA A 78 5.793 11.589 11.246 1.00 30.13 H new ATOM 0 HB2 ALA A 78 4.332 12.333 10.554 1.00 30.13 H new ATOM 0 HB3 ALA A 78 4.297 11.671 12.206 1.00 30.13 H new ATOM 1224 N PHE A 79 5.702 8.254 10.925 1.00 12.03 N ATOM 1225 CA PHE A 79 6.302 7.141 11.640 1.00 44.44 C ATOM 1226 C PHE A 79 7.811 7.100 11.427 1.00 15.22 C ATOM 1227 O PHE A 79 8.329 7.670 10.461 1.00 51.54 O ATOM 1228 CB PHE A 79 5.654 5.805 11.220 1.00 75.21 C ATOM 1229 CG PHE A 79 5.733 5.503 9.743 1.00 35.41 C ATOM 1230 CD1 PHE A 79 6.788 4.767 9.225 1.00 52.52 C ATOM 1231 CD2 PHE A 79 4.745 5.949 8.877 1.00 41.51 C ATOM 1232 CE1 PHE A 79 6.858 4.484 7.874 1.00 3.11 C ATOM 1233 CE2 PHE A 79 4.810 5.670 7.526 1.00 13.51 C ATOM 1234 CZ PHE A 79 5.867 4.937 7.024 1.00 54.12 C ATOM 0 H PHE A 79 6.004 8.346 9.955 1.00 12.03 H new ATOM 0 HA PHE A 79 6.117 7.290 12.704 1.00 44.44 H new ATOM 0 HB2 PHE A 79 6.135 4.995 11.769 1.00 75.21 H new ATOM 0 HB3 PHE A 79 4.606 5.815 11.520 1.00 75.21 H new ATOM 0 HD1 PHE A 79 7.565 4.411 9.885 1.00 52.52 H new ATOM 0 HD2 PHE A 79 3.915 6.521 9.264 1.00 41.51 H new ATOM 0 HE1 PHE A 79 7.685 3.910 7.483 1.00 3.11 H new ATOM 0 HE2 PHE A 79 4.035 6.025 6.863 1.00 13.51 H new ATOM 0 HZ PHE A 79 5.919 4.718 5.968 1.00 54.12 H new ATOM 1244 N SER A 80 8.507 6.445 12.342 1.00 60.21 N ATOM 1245 CA SER A 80 9.948 6.312 12.265 1.00 42.11 C ATOM 1246 C SER A 80 10.320 4.886 11.835 1.00 72.42 C ATOM 1247 O SER A 80 9.443 4.029 11.681 1.00 31.21 O ATOM 1248 CB SER A 80 10.579 6.650 13.627 1.00 75.41 C ATOM 1249 OG SER A 80 11.994 6.758 13.538 1.00 64.52 O ATOM 0 H SER A 80 8.089 5.993 13.155 1.00 60.21 H new ATOM 0 HA SER A 80 10.334 7.009 11.522 1.00 42.11 H new ATOM 0 HB2 SER A 80 10.165 7.588 13.997 1.00 75.41 H new ATOM 0 HB3 SER A 80 10.318 5.878 14.351 1.00 75.41 H new ATOM 0 HG SER A 80 12.229 7.551 13.012 1.00 64.52 H new ATOM 1255 N ARG A 81 11.613 4.642 11.648 1.00 2.21 N ATOM 1256 CA ARG A 81 12.102 3.334 11.219 1.00 72.44 C ATOM 1257 C ARG A 81 12.082 2.338 12.374 1.00 32.42 C ATOM 1258 O ARG A 81 12.128 2.724 13.547 1.00 32.13 O ATOM 1259 CB ARG A 81 13.527 3.443 10.662 1.00 3.22 C ATOM 1260 CG ARG A 81 13.660 4.357 9.453 1.00 34.13 C ATOM 1261 CD ARG A 81 15.109 4.460 8.995 1.00 12.40 C ATOM 1262 NE ARG A 81 15.984 4.947 10.067 1.00 63.03 N ATOM 1263 CZ ARG A 81 17.318 4.959 10.017 1.00 13.13 C ATOM 1264 NH1 ARG A 81 17.953 4.586 8.914 1.00 21.41 N ATOM 1265 NH2 ARG A 81 18.013 5.372 11.067 1.00 22.04 N ATOM 0 H ARG A 81 12.346 5.337 11.788 1.00 2.21 H new ATOM 0 HA ARG A 81 11.438 2.976 10.433 1.00 72.44 H new ATOM 0 HB2 ARG A 81 14.186 3.806 11.451 1.00 3.22 H new ATOM 0 HB3 ARG A 81 13.875 2.447 10.389 1.00 3.22 H new ATOM 0 HG2 ARG A 81 13.045 3.977 8.638 1.00 34.13 H new ATOM 0 HG3 ARG A 81 13.283 5.349 9.701 1.00 34.13 H new ATOM 0 HD2 ARG A 81 15.455 3.482 8.659 1.00 12.40 H new ATOM 0 HD3 ARG A 81 15.173 5.132 8.139 1.00 12.40 H new ATOM 0 HE ARG A 81 15.540 5.303 10.914 1.00 63.03 H new ATOM 0 HH11 ARG A 81 17.422 4.287 8.096 1.00 21.41 H new ATOM 0 HH12 ARG A 81 18.972 4.598 8.884 1.00 21.41 H new ATOM 0 HH21 ARG A 81 17.529 5.680 11.910 1.00 22.04 H new ATOM 0 HH22 ARG A 81 19.032 5.382 11.032 1.00 22.04 H new ATOM 1279 N GLY A 82 12.017 1.062 12.035 1.00 21.41 N ATOM 1280 CA GLY A 82 12.001 0.016 13.028 1.00 21.04 C ATOM 1281 C GLY A 82 10.599 -0.310 13.487 1.00 54.25 C ATOM 1282 O GLY A 82 10.397 -0.754 14.622 1.00 63.04 O ATOM 0 H GLY A 82 11.974 0.730 11.072 1.00 21.41 H new ATOM 0 HA2 GLY A 82 12.465 -0.881 12.617 1.00 21.04 H new ATOM 0 HA3 GLY A 82 12.601 0.321 13.885 1.00 21.04 H new ATOM 1286 N GLN A 83 9.624 -0.091 12.616 1.00 15.02 N ATOM 1287 CA GLN A 83 8.233 -0.335 12.965 1.00 32.10 C ATOM 1288 C GLN A 83 7.496 -1.142 11.896 1.00 2.13 C ATOM 1289 O GLN A 83 6.682 -2.011 12.219 1.00 52.50 O ATOM 1290 CB GLN A 83 7.509 0.988 13.216 1.00 11.21 C ATOM 1291 CG GLN A 83 7.999 1.723 14.456 1.00 24.12 C ATOM 1292 CD GLN A 83 7.316 3.058 14.663 1.00 71.05 C ATOM 1293 OE1 GLN A 83 6.985 3.734 13.583 1.00 23.42 O flip ATOM 1294 NE2 GLN A 83 7.110 3.489 15.794 1.00 23.13 N flip ATOM 0 H GLN A 83 9.770 0.254 11.667 1.00 15.02 H new ATOM 0 HA GLN A 83 8.232 -0.930 13.878 1.00 32.10 H new ATOM 0 HB2 GLN A 83 7.636 1.633 12.347 1.00 11.21 H new ATOM 0 HB3 GLN A 83 6.441 0.795 13.316 1.00 11.21 H new ATOM 0 HG2 GLN A 83 7.832 1.096 15.332 1.00 24.12 H new ATOM 0 HG3 GLN A 83 9.075 1.880 14.377 1.00 24.12 H new ATOM 0 HE21 GLN A 83 7.380 2.936 16.607 1.00 23.13 H new ATOM 0 HE22 GLN A 83 6.668 4.400 15.920 1.00 23.13 H new ATOM 1303 N MET A 84 7.783 -0.869 10.638 1.00 43.24 N ATOM 1304 CA MET A 84 7.100 -1.546 9.539 1.00 50.45 C ATOM 1305 C MET A 84 7.992 -2.624 8.934 1.00 43.25 C ATOM 1306 O MET A 84 9.146 -2.779 9.338 1.00 54.44 O ATOM 1307 CB MET A 84 6.706 -0.532 8.455 1.00 12.23 C ATOM 1308 CG MET A 84 5.892 0.649 8.969 1.00 22.01 C ATOM 1309 SD MET A 84 4.291 0.165 9.644 1.00 52.34 S ATOM 1310 CE MET A 84 3.690 1.745 10.242 1.00 11.11 C ATOM 0 H MET A 84 8.482 -0.186 10.346 1.00 43.24 H new ATOM 0 HA MET A 84 6.200 -2.017 9.935 1.00 50.45 H new ATOM 0 HB2 MET A 84 7.612 -0.155 7.980 1.00 12.23 H new ATOM 0 HB3 MET A 84 6.132 -1.046 7.684 1.00 12.23 H new ATOM 0 HG2 MET A 84 6.462 1.168 9.739 1.00 22.01 H new ATOM 0 HG3 MET A 84 5.737 1.358 8.155 1.00 22.01 H new ATOM 0 HE1 MET A 84 2.604 1.713 10.324 1.00 11.11 H new ATOM 0 HE2 MET A 84 4.122 1.952 11.221 1.00 11.11 H new ATOM 0 HE3 MET A 84 3.978 2.532 9.545 1.00 11.11 H new ATOM 1320 N GLN A 85 7.443 -3.383 7.978 1.00 23.45 N ATOM 1321 CA GLN A 85 8.220 -4.398 7.256 1.00 51.11 C ATOM 1322 C GLN A 85 9.423 -3.741 6.608 1.00 61.41 C ATOM 1323 O GLN A 85 9.291 -2.673 6.034 1.00 21.22 O ATOM 1324 CB GLN A 85 7.356 -5.065 6.180 1.00 35.12 C ATOM 1325 CG GLN A 85 6.247 -5.944 6.727 1.00 62.01 C ATOM 1326 CD GLN A 85 6.774 -7.204 7.378 1.00 14.43 C ATOM 1327 OE1 GLN A 85 6.928 -8.233 6.724 1.00 52.55 O ATOM 1328 NE2 GLN A 85 7.054 -7.136 8.659 1.00 42.44 N ATOM 0 H GLN A 85 6.468 -3.314 7.687 1.00 23.45 H new ATOM 0 HA GLN A 85 8.551 -5.160 7.961 1.00 51.11 H new ATOM 0 HB2 GLN A 85 6.914 -4.290 5.553 1.00 35.12 H new ATOM 0 HB3 GLN A 85 7.998 -5.667 5.537 1.00 35.12 H new ATOM 0 HG2 GLN A 85 5.665 -5.379 7.455 1.00 62.01 H new ATOM 0 HG3 GLN A 85 5.569 -6.214 5.917 1.00 62.01 H new ATOM 0 HE21 GLN A 85 6.912 -6.263 9.166 1.00 42.44 H new ATOM 0 HE22 GLN A 85 7.413 -7.957 9.147 1.00 42.44 H new ATOM 1337 N LYS A 86 10.584 -4.380 6.688 1.00 12.22 N ATOM 1338 CA LYS A 86 11.818 -3.791 6.168 1.00 51.11 C ATOM 1339 C LYS A 86 11.688 -3.320 4.700 1.00 52.14 C ATOM 1340 O LYS A 86 11.987 -2.177 4.415 1.00 63.11 O ATOM 1341 CB LYS A 86 13.024 -4.728 6.346 1.00 11.24 C ATOM 1342 CG LYS A 86 14.364 -4.022 6.181 1.00 53.33 C ATOM 1343 CD LYS A 86 15.529 -4.979 6.370 1.00 21.04 C ATOM 1344 CE LYS A 86 16.864 -4.239 6.380 1.00 21.03 C ATOM 1345 NZ LYS A 86 17.131 -3.536 5.103 1.00 72.30 N ATOM 0 H LYS A 86 10.700 -5.303 7.106 1.00 12.22 H new ATOM 0 HA LYS A 86 11.998 -2.900 6.769 1.00 51.11 H new ATOM 0 HB2 LYS A 86 12.980 -5.182 7.336 1.00 11.24 H new ATOM 0 HB3 LYS A 86 12.956 -5.538 5.620 1.00 11.24 H new ATOM 0 HG2 LYS A 86 14.419 -3.573 5.190 1.00 53.33 H new ATOM 0 HG3 LYS A 86 14.439 -3.210 6.904 1.00 53.33 H new ATOM 0 HD2 LYS A 86 15.406 -5.523 7.307 1.00 21.04 H new ATOM 0 HD3 LYS A 86 15.528 -5.718 5.569 1.00 21.04 H new ATOM 0 HE2 LYS A 86 16.870 -3.517 7.197 1.00 21.03 H new ATOM 0 HE3 LYS A 86 17.668 -4.949 6.576 1.00 21.03 H new ATOM 0 HZ1 LYS A 86 18.090 -3.135 5.122 1.00 72.30 H new ATOM 0 HZ2 LYS A 86 17.052 -4.208 4.313 1.00 72.30 H new ATOM 0 HZ3 LYS A 86 16.438 -2.771 4.977 1.00 72.30 H new ATOM 1359 N PRO A 87 11.219 -4.183 3.745 1.00 61.11 N ATOM 1360 CA PRO A 87 11.062 -3.770 2.334 1.00 54.22 C ATOM 1361 C PRO A 87 10.074 -2.604 2.180 1.00 45.21 C ATOM 1362 O PRO A 87 10.240 -1.736 1.320 1.00 13.52 O ATOM 1363 CB PRO A 87 10.506 -5.026 1.647 1.00 23.45 C ATOM 1364 CG PRO A 87 10.871 -6.151 2.553 1.00 73.34 C ATOM 1365 CD PRO A 87 10.824 -5.593 3.942 1.00 13.24 C ATOM 0 HA PRO A 87 12.002 -3.417 1.909 1.00 54.22 H new ATOM 0 HB2 PRO A 87 9.426 -4.959 1.515 1.00 23.45 H new ATOM 0 HB3 PRO A 87 10.940 -5.160 0.656 1.00 23.45 H new ATOM 0 HG2 PRO A 87 10.175 -6.983 2.443 1.00 73.34 H new ATOM 0 HG3 PRO A 87 11.865 -6.534 2.319 1.00 73.34 H new ATOM 0 HD2 PRO A 87 9.828 -5.676 4.377 1.00 13.24 H new ATOM 0 HD3 PRO A 87 11.509 -6.115 4.610 1.00 13.24 H new ATOM 1373 N PHE A 88 9.066 -2.594 3.039 1.00 64.02 N ATOM 1374 CA PHE A 88 8.032 -1.564 3.034 1.00 13.34 C ATOM 1375 C PHE A 88 8.591 -0.258 3.604 1.00 13.25 C ATOM 1376 O PHE A 88 8.477 0.804 2.997 1.00 62.12 O ATOM 1377 CB PHE A 88 6.838 -2.053 3.881 1.00 12.32 C ATOM 1378 CG PHE A 88 5.661 -1.110 3.949 1.00 5.01 C ATOM 1379 CD1 PHE A 88 4.569 -1.286 3.116 1.00 24.12 C ATOM 1380 CD2 PHE A 88 5.641 -0.060 4.858 1.00 2.34 C ATOM 1381 CE1 PHE A 88 3.482 -0.435 3.185 1.00 64.41 C ATOM 1382 CE2 PHE A 88 4.559 0.794 4.929 1.00 24.33 C ATOM 1383 CZ PHE A 88 3.478 0.607 4.093 1.00 21.44 C ATOM 0 H PHE A 88 8.939 -3.302 3.763 1.00 64.02 H new ATOM 0 HA PHE A 88 7.701 -1.377 2.013 1.00 13.34 H new ATOM 0 HB2 PHE A 88 6.495 -3.006 3.478 1.00 12.32 H new ATOM 0 HB3 PHE A 88 7.188 -2.243 4.896 1.00 12.32 H new ATOM 0 HD1 PHE A 88 4.567 -2.098 2.404 1.00 24.12 H new ATOM 0 HD2 PHE A 88 6.483 0.090 5.518 1.00 2.34 H new ATOM 0 HE1 PHE A 88 2.636 -0.584 2.530 1.00 64.41 H new ATOM 0 HE2 PHE A 88 4.559 1.608 5.639 1.00 24.33 H new ATOM 0 HZ PHE A 88 2.630 1.274 4.148 1.00 21.44 H new ATOM 1393 N GLU A 89 9.209 -0.370 4.761 1.00 41.32 N ATOM 1394 CA GLU A 89 9.773 0.759 5.480 1.00 64.35 C ATOM 1395 C GLU A 89 10.935 1.372 4.695 1.00 74.42 C ATOM 1396 O GLU A 89 11.096 2.596 4.646 1.00 74.24 O ATOM 1397 CB GLU A 89 10.241 0.273 6.845 1.00 13.34 C ATOM 1398 CG GLU A 89 10.504 1.359 7.856 1.00 33.45 C ATOM 1399 CD GLU A 89 10.724 0.785 9.231 1.00 73.24 C ATOM 1400 OE1 GLU A 89 9.787 0.809 10.050 1.00 32.42 O ATOM 1401 OE2 GLU A 89 11.834 0.281 9.501 1.00 12.01 O ATOM 0 H GLU A 89 9.337 -1.262 5.238 1.00 41.32 H new ATOM 0 HA GLU A 89 9.017 1.534 5.604 1.00 64.35 H new ATOM 0 HB2 GLU A 89 9.489 -0.404 7.250 1.00 13.34 H new ATOM 0 HB3 GLU A 89 11.154 -0.308 6.713 1.00 13.34 H new ATOM 0 HG2 GLU A 89 11.380 1.934 7.555 1.00 33.45 H new ATOM 0 HG3 GLU A 89 9.661 2.050 7.879 1.00 33.45 H new ATOM 1408 N ASP A 90 11.732 0.510 4.077 1.00 14.03 N ATOM 1409 CA ASP A 90 12.858 0.939 3.250 1.00 52.53 C ATOM 1410 C ASP A 90 12.365 1.800 2.102 1.00 42.04 C ATOM 1411 O ASP A 90 12.943 2.841 1.800 1.00 15.00 O ATOM 1412 CB ASP A 90 13.605 -0.282 2.699 1.00 73.51 C ATOM 1413 CG ASP A 90 14.803 0.084 1.844 1.00 21.01 C ATOM 1414 OD1 ASP A 90 14.638 0.248 0.621 1.00 51.35 O ATOM 1415 OD2 ASP A 90 15.924 0.189 2.395 1.00 14.41 O ATOM 0 H ASP A 90 11.619 -0.502 4.133 1.00 14.03 H new ATOM 0 HA ASP A 90 13.540 1.524 3.867 1.00 52.53 H new ATOM 0 HB2 ASP A 90 13.937 -0.902 3.531 1.00 73.51 H new ATOM 0 HB3 ASP A 90 12.916 -0.885 2.108 1.00 73.51 H new ATOM 1420 N ALA A 91 11.269 1.367 1.487 1.00 31.41 N ATOM 1421 CA ALA A 91 10.685 2.074 0.360 1.00 31.02 C ATOM 1422 C ALA A 91 10.009 3.365 0.803 1.00 64.22 C ATOM 1423 O ALA A 91 10.081 4.372 0.109 1.00 51.15 O ATOM 1424 CB ALA A 91 9.693 1.179 -0.367 1.00 22.44 C ATOM 0 H ALA A 91 10.766 0.521 1.756 1.00 31.41 H new ATOM 0 HA ALA A 91 11.492 2.338 -0.324 1.00 31.02 H new ATOM 0 HB1 ALA A 91 9.263 1.721 -1.209 1.00 22.44 H new ATOM 0 HB2 ALA A 91 10.206 0.289 -0.732 1.00 22.44 H new ATOM 0 HB3 ALA A 91 8.898 0.884 0.319 1.00 22.44 H new ATOM 1430 N ALA A 92 9.368 3.329 1.965 1.00 64.31 N ATOM 1431 CA ALA A 92 8.670 4.498 2.501 1.00 24.34 C ATOM 1432 C ALA A 92 9.626 5.672 2.698 1.00 42.42 C ATOM 1433 O ALA A 92 9.343 6.797 2.284 1.00 20.12 O ATOM 1434 CB ALA A 92 7.983 4.145 3.812 1.00 42.10 C ATOM 0 H ALA A 92 9.315 2.501 2.558 1.00 64.31 H new ATOM 0 HA ALA A 92 7.914 4.802 1.777 1.00 24.34 H new ATOM 0 HB1 ALA A 92 7.467 5.023 4.201 1.00 42.10 H new ATOM 0 HB2 ALA A 92 7.261 3.346 3.641 1.00 42.10 H new ATOM 0 HB3 ALA A 92 8.728 3.812 4.535 1.00 42.10 H new ATOM 1440 N PHE A 93 10.769 5.399 3.312 1.00 34.30 N ATOM 1441 CA PHE A 93 11.766 6.433 3.561 1.00 50.44 C ATOM 1442 C PHE A 93 12.598 6.719 2.312 1.00 24.52 C ATOM 1443 O PHE A 93 13.379 7.675 2.277 1.00 54.20 O ATOM 1444 CB PHE A 93 12.674 6.044 4.732 1.00 75.12 C ATOM 1445 CG PHE A 93 12.004 6.125 6.078 1.00 14.05 C ATOM 1446 CD1 PHE A 93 12.213 7.217 6.903 1.00 54.02 C ATOM 1447 CD2 PHE A 93 11.164 5.113 6.514 1.00 55.01 C ATOM 1448 CE1 PHE A 93 11.598 7.299 8.138 1.00 31.24 C ATOM 1449 CE2 PHE A 93 10.546 5.190 7.748 1.00 22.42 C ATOM 1450 CZ PHE A 93 10.764 6.284 8.559 1.00 61.34 C ATOM 0 H PHE A 93 11.030 4.471 3.647 1.00 34.30 H new ATOM 0 HA PHE A 93 11.232 7.346 3.825 1.00 50.44 H new ATOM 0 HB2 PHE A 93 13.034 5.027 4.577 1.00 75.12 H new ATOM 0 HB3 PHE A 93 13.548 6.695 4.733 1.00 75.12 H new ATOM 0 HD1 PHE A 93 12.865 8.014 6.578 1.00 54.02 H new ATOM 0 HD2 PHE A 93 10.990 4.254 5.883 1.00 55.01 H new ATOM 0 HE1 PHE A 93 11.770 8.156 8.772 1.00 31.24 H new ATOM 0 HE2 PHE A 93 9.893 4.395 8.077 1.00 22.42 H new ATOM 0 HZ PHE A 93 10.282 6.346 9.523 1.00 61.34 H new ATOM 1460 N ALA A 94 12.420 5.898 1.289 1.00 75.45 N ATOM 1461 CA ALA A 94 13.136 6.073 0.036 1.00 42.33 C ATOM 1462 C ALA A 94 12.323 6.912 -0.936 1.00 1.21 C ATOM 1463 O ALA A 94 12.791 7.250 -2.029 1.00 70.22 O ATOM 1464 CB ALA A 94 13.468 4.726 -0.582 1.00 51.51 C ATOM 0 H ALA A 94 11.783 5.101 1.303 1.00 75.45 H new ATOM 0 HA ALA A 94 14.068 6.597 0.249 1.00 42.33 H new ATOM 0 HB1 ALA A 94 14.004 4.878 -1.519 1.00 51.51 H new ATOM 0 HB2 ALA A 94 14.093 4.155 0.105 1.00 51.51 H new ATOM 0 HB3 ALA A 94 12.546 4.177 -0.776 1.00 51.51 H new ATOM 1470 N LEU A 95 11.106 7.239 -0.541 1.00 71.52 N ATOM 1471 CA LEU A 95 10.227 8.043 -1.368 1.00 12.11 C ATOM 1472 C LEU A 95 10.389 9.512 -1.060 1.00 42.33 C ATOM 1473 O LEU A 95 10.914 9.886 -0.013 1.00 15.13 O ATOM 1474 CB LEU A 95 8.765 7.652 -1.148 1.00 3.35 C ATOM 1475 CG LEU A 95 8.371 6.244 -1.569 1.00 74.13 C ATOM 1476 CD1 LEU A 95 6.906 6.000 -1.258 1.00 55.13 C ATOM 1477 CD2 LEU A 95 8.648 6.032 -3.048 1.00 34.21 C ATOM 0 H LEU A 95 10.703 6.958 0.353 1.00 71.52 H new ATOM 0 HA LEU A 95 10.501 7.859 -2.407 1.00 12.11 H new ATOM 0 HB2 LEU A 95 8.536 7.769 -0.089 1.00 3.35 H new ATOM 0 HB3 LEU A 95 8.137 8.359 -1.690 1.00 3.35 H new ATOM 0 HG LEU A 95 8.971 5.529 -1.006 1.00 74.13 H new ATOM 0 HD11 LEU A 95 6.633 4.990 -1.563 1.00 55.13 H new ATOM 0 HD12 LEU A 95 6.737 6.114 -0.187 1.00 55.13 H new ATOM 0 HD13 LEU A 95 6.294 6.721 -1.800 1.00 55.13 H new ATOM 0 HD21 LEU A 95 8.360 5.019 -3.331 1.00 34.21 H new ATOM 0 HD22 LEU A 95 8.072 6.750 -3.633 1.00 34.21 H new ATOM 0 HD23 LEU A 95 9.711 6.175 -3.243 1.00 34.21 H new ATOM 1489 N ARG A 96 9.935 10.338 -1.971 1.00 74.33 N ATOM 1490 CA ARG A 96 9.958 11.770 -1.791 1.00 70.34 C ATOM 1491 C ARG A 96 8.558 12.233 -1.445 1.00 34.55 C ATOM 1492 O ARG A 96 7.597 11.489 -1.642 1.00 15.33 O ATOM 1493 CB ARG A 96 10.445 12.457 -3.069 1.00 71.53 C ATOM 1494 CG ARG A 96 11.814 11.982 -3.517 1.00 31.41 C ATOM 1495 CD ARG A 96 12.240 12.619 -4.826 1.00 44.12 C ATOM 1496 NE ARG A 96 13.530 12.095 -5.276 1.00 71.22 N ATOM 1497 CZ ARG A 96 13.861 11.885 -6.550 1.00 34.55 C ATOM 1498 NH1 ARG A 96 13.019 12.210 -7.528 1.00 22.34 N ATOM 1499 NH2 ARG A 96 15.041 11.358 -6.845 1.00 30.10 N ATOM 0 H ARG A 96 9.538 10.036 -2.861 1.00 74.33 H new ATOM 0 HA ARG A 96 10.644 12.032 -0.985 1.00 70.34 H new ATOM 0 HB2 ARG A 96 9.725 12.277 -3.868 1.00 71.53 H new ATOM 0 HB3 ARG A 96 10.477 13.534 -2.906 1.00 71.53 H new ATOM 0 HG2 ARG A 96 12.548 12.215 -2.746 1.00 31.41 H new ATOM 0 HG3 ARG A 96 11.802 10.898 -3.629 1.00 31.41 H new ATOM 0 HD2 ARG A 96 11.483 12.432 -5.588 1.00 44.12 H new ATOM 0 HD3 ARG A 96 12.307 13.700 -4.702 1.00 44.12 H new ATOM 0 HE ARG A 96 14.226 11.875 -4.564 1.00 71.22 H new ATOM 0 HH11 ARG A 96 12.113 12.623 -7.305 1.00 22.34 H new ATOM 0 HH12 ARG A 96 13.279 12.046 -8.501 1.00 22.34 H new ATOM 0 HH21 ARG A 96 15.692 11.115 -6.098 1.00 30.10 H new ATOM 0 HH22 ARG A 96 15.298 11.196 -7.819 1.00 30.10 H new ATOM 1513 N THR A 97 8.434 13.427 -0.919 1.00 11.10 N ATOM 1514 CA THR A 97 7.135 13.959 -0.565 1.00 12.25 C ATOM 1515 C THR A 97 6.272 14.124 -1.820 1.00 5.10 C ATOM 1516 O THR A 97 6.510 15.020 -2.641 1.00 72.23 O ATOM 1517 CB THR A 97 7.275 15.309 0.152 1.00 42.23 C ATOM 1518 OG1 THR A 97 8.221 15.187 1.229 1.00 35.33 O ATOM 1519 CG2 THR A 97 5.937 15.763 0.708 1.00 74.41 C ATOM 0 H THR A 97 9.216 14.052 -0.725 1.00 11.10 H new ATOM 0 HA THR A 97 6.652 13.255 0.113 1.00 12.25 H new ATOM 0 HB THR A 97 7.625 16.049 -0.568 1.00 42.23 H new ATOM 0 HG1 THR A 97 7.923 14.489 1.849 1.00 35.33 H new ATOM 0 HG21 THR A 97 6.059 16.722 1.212 1.00 74.41 H new ATOM 0 HG22 THR A 97 5.222 15.870 -0.107 1.00 74.41 H new ATOM 0 HG23 THR A 97 5.569 15.023 1.419 1.00 74.41 H new ATOM 1527 N GLY A 98 5.294 13.243 -1.970 1.00 52.11 N ATOM 1528 CA GLY A 98 4.435 13.261 -3.132 1.00 72.31 C ATOM 1529 C GLY A 98 4.712 12.088 -4.054 1.00 51.22 C ATOM 1530 O GLY A 98 4.010 11.885 -5.046 1.00 65.11 O ATOM 0 H GLY A 98 5.080 12.507 -1.297 1.00 52.11 H new ATOM 0 HA2 GLY A 98 3.393 13.236 -2.814 1.00 72.31 H new ATOM 0 HA3 GLY A 98 4.580 14.194 -3.677 1.00 72.31 H new ATOM 1534 N GLU A 99 5.730 11.306 -3.715 1.00 31.33 N ATOM 1535 CA GLU A 99 6.130 10.162 -4.525 1.00 4.43 C ATOM 1536 C GLU A 99 5.451 8.881 -4.059 1.00 71.14 C ATOM 1537 O GLU A 99 5.095 8.737 -2.884 1.00 74.11 O ATOM 1538 CB GLU A 99 7.651 9.993 -4.495 1.00 10.10 C ATOM 1539 CG GLU A 99 8.317 10.161 -5.853 1.00 53.44 C ATOM 1540 CD GLU A 99 8.016 9.020 -6.805 1.00 32.42 C ATOM 1541 OE1 GLU A 99 6.834 8.757 -7.082 1.00 25.03 O ATOM 1542 OE2 GLU A 99 8.972 8.382 -7.291 1.00 43.24 O ATOM 0 H GLU A 99 6.297 11.445 -2.879 1.00 31.33 H new ATOM 0 HA GLU A 99 5.812 10.356 -5.549 1.00 4.43 H new ATOM 0 HB2 GLU A 99 8.074 10.720 -3.801 1.00 10.10 H new ATOM 0 HB3 GLU A 99 7.889 9.004 -4.104 1.00 10.10 H new ATOM 0 HG2 GLU A 99 7.985 11.098 -6.301 1.00 53.44 H new ATOM 0 HG3 GLU A 99 9.396 10.238 -5.716 1.00 53.44 H new ATOM 1549 N MET A 100 5.294 7.956 -4.985 1.00 42.50 N ATOM 1550 CA MET A 100 4.644 6.691 -4.715 1.00 54.13 C ATOM 1551 C MET A 100 5.552 5.536 -5.129 1.00 4.41 C ATOM 1552 O MET A 100 6.084 5.524 -6.237 1.00 74.14 O ATOM 1553 CB MET A 100 3.307 6.624 -5.460 1.00 41.52 C ATOM 1554 CG MET A 100 2.484 5.383 -5.161 1.00 15.42 C ATOM 1555 SD MET A 100 0.836 5.448 -5.894 1.00 40.50 S ATOM 1556 CE MET A 100 1.240 5.634 -7.626 1.00 14.25 C ATOM 0 H MET A 100 5.615 8.062 -5.948 1.00 42.50 H new ATOM 0 HA MET A 100 4.450 6.608 -3.646 1.00 54.13 H new ATOM 0 HB2 MET A 100 2.719 7.505 -5.205 1.00 41.52 H new ATOM 0 HB3 MET A 100 3.500 6.668 -6.532 1.00 41.52 H new ATOM 0 HG2 MET A 100 3.009 4.504 -5.535 1.00 15.42 H new ATOM 0 HG3 MET A 100 2.393 5.264 -4.081 1.00 15.42 H new ATOM 0 HE1 MET A 100 0.328 5.582 -8.220 1.00 14.25 H new ATOM 0 HE2 MET A 100 1.722 6.598 -7.786 1.00 14.25 H new ATOM 0 HE3 MET A 100 1.917 4.835 -7.930 1.00 14.25 H new ATOM 1566 N SER A 101 5.725 4.576 -4.233 1.00 40.52 N ATOM 1567 CA SER A 101 6.599 3.431 -4.473 1.00 64.13 C ATOM 1568 C SER A 101 6.032 2.521 -5.554 1.00 24.33 C ATOM 1569 O SER A 101 6.767 2.010 -6.399 1.00 50.34 O ATOM 1570 CB SER A 101 6.811 2.641 -3.171 1.00 21.22 C ATOM 1571 OG SER A 101 7.707 1.557 -3.355 1.00 45.41 O ATOM 0 H SER A 101 5.267 4.566 -3.322 1.00 40.52 H new ATOM 0 HA SER A 101 7.561 3.809 -4.821 1.00 64.13 H new ATOM 0 HB2 SER A 101 7.199 3.307 -2.400 1.00 21.22 H new ATOM 0 HB3 SER A 101 5.853 2.264 -2.814 1.00 21.22 H new ATOM 0 HG SER A 101 7.698 0.986 -2.559 1.00 45.41 H new ATOM 1577 N GLY A 102 4.731 2.329 -5.531 1.00 52.13 N ATOM 1578 CA GLY A 102 4.109 1.466 -6.499 1.00 41.11 C ATOM 1579 C GLY A 102 3.776 0.114 -5.910 1.00 43.32 C ATOM 1580 O GLY A 102 3.259 0.040 -4.799 1.00 5.12 O ATOM 0 H GLY A 102 4.093 2.755 -4.859 1.00 52.13 H new ATOM 0 HA2 GLY A 102 3.198 1.935 -6.872 1.00 41.11 H new ATOM 0 HA3 GLY A 102 4.774 1.337 -7.353 1.00 41.11 H new ATOM 1584 N PRO A 103 4.082 -0.978 -6.621 1.00 51.52 N ATOM 1585 CA PRO A 103 3.769 -2.320 -6.171 1.00 12.22 C ATOM 1586 C PRO A 103 4.865 -2.945 -5.294 1.00 73.51 C ATOM 1587 O PRO A 103 5.910 -3.372 -5.790 1.00 21.32 O ATOM 1588 CB PRO A 103 3.630 -3.091 -7.482 1.00 33.20 C ATOM 1589 CG PRO A 103 4.546 -2.395 -8.447 1.00 31.42 C ATOM 1590 CD PRO A 103 4.759 -0.984 -7.929 1.00 10.30 C ATOM 0 HA PRO A 103 2.882 -2.335 -5.538 1.00 12.22 H new ATOM 0 HB2 PRO A 103 3.912 -4.136 -7.356 1.00 33.20 H new ATOM 0 HB3 PRO A 103 2.600 -3.079 -7.838 1.00 33.20 H new ATOM 0 HG2 PRO A 103 5.496 -2.924 -8.524 1.00 31.42 H new ATOM 0 HG3 PRO A 103 4.110 -2.376 -9.446 1.00 31.42 H new ATOM 0 HD2 PRO A 103 5.819 -0.751 -7.831 1.00 10.30 H new ATOM 0 HD3 PRO A 103 4.331 -0.242 -8.603 1.00 10.30 H new ATOM 1598 N VAL A 104 4.631 -2.968 -3.996 1.00 33.13 N ATOM 1599 CA VAL A 104 5.546 -3.614 -3.064 1.00 31.05 C ATOM 1600 C VAL A 104 5.030 -5.015 -2.751 1.00 44.44 C ATOM 1601 O VAL A 104 3.965 -5.175 -2.147 1.00 72.15 O ATOM 1602 CB VAL A 104 5.696 -2.807 -1.752 1.00 64.23 C ATOM 1603 CG1 VAL A 104 6.663 -3.497 -0.797 1.00 62.22 C ATOM 1604 CG2 VAL A 104 6.160 -1.390 -2.051 1.00 4.12 C ATOM 0 H VAL A 104 3.812 -2.546 -3.558 1.00 33.13 H new ATOM 0 HA VAL A 104 6.529 -3.666 -3.532 1.00 31.05 H new ATOM 0 HB VAL A 104 4.720 -2.758 -1.268 1.00 64.23 H new ATOM 0 HG11 VAL A 104 6.752 -2.911 0.118 1.00 62.22 H new ATOM 0 HG12 VAL A 104 6.288 -4.492 -0.556 1.00 62.22 H new ATOM 0 HG13 VAL A 104 7.642 -3.583 -1.269 1.00 62.22 H new ATOM 0 HG21 VAL A 104 6.261 -0.836 -1.118 1.00 4.12 H new ATOM 0 HG22 VAL A 104 7.124 -1.422 -2.560 1.00 4.12 H new ATOM 0 HG23 VAL A 104 5.429 -0.895 -2.690 1.00 4.12 H new ATOM 1614 N PHE A 105 5.775 -6.015 -3.167 1.00 41.14 N ATOM 1615 CA PHE A 105 5.352 -7.400 -3.019 1.00 44.05 C ATOM 1616 C PHE A 105 5.776 -7.987 -1.676 1.00 22.34 C ATOM 1617 O PHE A 105 6.918 -7.822 -1.246 1.00 61.32 O ATOM 1618 CB PHE A 105 5.920 -8.241 -4.161 1.00 74.30 C ATOM 1619 CG PHE A 105 5.549 -7.731 -5.525 1.00 61.14 C ATOM 1620 CD1 PHE A 105 4.334 -8.063 -6.095 1.00 14.41 C ATOM 1621 CD2 PHE A 105 6.419 -6.919 -6.237 1.00 74.24 C ATOM 1622 CE1 PHE A 105 3.990 -7.599 -7.348 1.00 74.21 C ATOM 1623 CE2 PHE A 105 6.081 -6.451 -7.491 1.00 32.45 C ATOM 1624 CZ PHE A 105 4.865 -6.791 -8.047 1.00 64.35 C ATOM 0 H PHE A 105 6.684 -5.899 -3.614 1.00 41.14 H new ATOM 0 HA PHE A 105 4.263 -7.419 -3.055 1.00 44.05 H new ATOM 0 HB2 PHE A 105 7.006 -8.269 -4.076 1.00 74.30 H new ATOM 0 HB3 PHE A 105 5.566 -9.267 -4.057 1.00 74.30 H new ATOM 0 HD1 PHE A 105 3.645 -8.694 -5.552 1.00 14.41 H new ATOM 0 HD2 PHE A 105 7.372 -6.650 -5.806 1.00 74.24 H new ATOM 0 HE1 PHE A 105 3.038 -7.867 -7.781 1.00 74.21 H new ATOM 0 HE2 PHE A 105 6.767 -5.820 -8.036 1.00 32.45 H new ATOM 0 HZ PHE A 105 4.598 -6.426 -9.028 1.00 64.35 H new ATOM 1634 N THR A 106 4.839 -8.668 -1.020 1.00 31.33 N ATOM 1635 CA THR A 106 5.090 -9.316 0.266 1.00 73.54 C ATOM 1636 C THR A 106 4.321 -10.637 0.340 1.00 70.31 C ATOM 1637 O THR A 106 3.681 -11.043 -0.633 1.00 22.14 O ATOM 1638 CB THR A 106 4.650 -8.425 1.450 1.00 75.25 C ATOM 1639 OG1 THR A 106 3.287 -8.027 1.274 1.00 63.11 O ATOM 1640 CG2 THR A 106 5.534 -7.189 1.581 1.00 51.10 C ATOM 0 H THR A 106 3.886 -8.786 -1.364 1.00 31.33 H new ATOM 0 HA THR A 106 6.163 -9.491 0.339 1.00 73.54 H new ATOM 0 HB THR A 106 4.751 -9.009 2.365 1.00 75.25 H new ATOM 0 HG1 THR A 106 3.019 -7.442 2.013 1.00 63.11 H new ATOM 0 HG21 THR A 106 5.195 -6.587 2.424 1.00 51.10 H new ATOM 0 HG22 THR A 106 6.567 -7.496 1.747 1.00 51.10 H new ATOM 0 HG23 THR A 106 5.473 -6.600 0.666 1.00 51.10 H new ATOM 1648 N ASP A 107 4.374 -11.291 1.492 1.00 74.43 N ATOM 1649 CA ASP A 107 3.665 -12.556 1.699 1.00 41.31 C ATOM 1650 C ASP A 107 2.161 -12.336 1.801 1.00 53.44 C ATOM 1651 O ASP A 107 1.373 -13.094 1.228 1.00 0.34 O ATOM 1652 CB ASP A 107 4.167 -13.266 2.967 1.00 1.32 C ATOM 1653 CG ASP A 107 5.551 -13.859 2.806 1.00 20.10 C ATOM 1654 OD1 ASP A 107 6.543 -13.111 2.931 1.00 73.22 O ATOM 1655 OD2 ASP A 107 5.656 -15.078 2.557 1.00 64.24 O ATOM 0 H ASP A 107 4.902 -10.969 2.303 1.00 74.43 H new ATOM 0 HA ASP A 107 3.869 -13.186 0.833 1.00 41.31 H new ATOM 0 HB2 ASP A 107 4.176 -12.556 3.794 1.00 1.32 H new ATOM 0 HB3 ASP A 107 3.467 -14.058 3.234 1.00 1.32 H new ATOM 1660 N SER A 108 1.766 -11.294 2.523 1.00 20.22 N ATOM 1661 CA SER A 108 0.349 -10.993 2.732 1.00 62.44 C ATOM 1662 C SER A 108 -0.316 -10.567 1.420 1.00 52.44 C ATOM 1663 O SER A 108 -1.473 -10.914 1.153 1.00 50.53 O ATOM 1664 CB SER A 108 0.191 -9.895 3.797 1.00 4.23 C ATOM 1665 OG SER A 108 -1.167 -9.736 4.189 1.00 75.23 O ATOM 0 H SER A 108 2.406 -10.641 2.975 1.00 20.22 H new ATOM 0 HA SER A 108 -0.147 -11.897 3.085 1.00 62.44 H new ATOM 0 HB2 SER A 108 0.795 -10.144 4.669 1.00 4.23 H new ATOM 0 HB3 SER A 108 0.570 -8.951 3.406 1.00 4.23 H new ATOM 0 HG SER A 108 -1.231 -9.032 4.868 1.00 75.23 H new ATOM 1671 N GLY A 109 0.426 -9.841 0.599 1.00 73.05 N ATOM 1672 CA GLY A 109 -0.102 -9.372 -0.660 1.00 14.04 C ATOM 1673 C GLY A 109 0.742 -8.267 -1.243 1.00 31.45 C ATOM 1674 O GLY A 109 1.959 -8.222 -1.024 1.00 51.22 O ATOM 0 H GLY A 109 1.391 -9.568 0.786 1.00 73.05 H new ATOM 0 HA2 GLY A 109 -0.152 -10.202 -1.365 1.00 14.04 H new ATOM 0 HA3 GLY A 109 -1.121 -9.014 -0.516 1.00 14.04 H new ATOM 1678 N ILE A 110 0.110 -7.371 -1.969 1.00 42.30 N ATOM 1679 CA ILE A 110 0.812 -6.261 -2.588 1.00 11.02 C ATOM 1680 C ILE A 110 0.462 -4.962 -1.869 1.00 4.32 C ATOM 1681 O ILE A 110 -0.694 -4.738 -1.502 1.00 21.44 O ATOM 1682 CB ILE A 110 0.467 -6.141 -4.094 1.00 1.11 C ATOM 1683 CG1 ILE A 110 0.681 -7.493 -4.791 1.00 42.21 C ATOM 1684 CG2 ILE A 110 1.321 -5.061 -4.754 1.00 42.41 C ATOM 1685 CD1 ILE A 110 0.261 -7.510 -6.245 1.00 74.40 C ATOM 0 H ILE A 110 -0.894 -7.387 -2.148 1.00 42.30 H new ATOM 0 HA ILE A 110 1.882 -6.449 -2.503 1.00 11.02 H new ATOM 0 HB ILE A 110 -0.581 -5.856 -4.192 1.00 1.11 H new ATOM 0 HG12 ILE A 110 1.735 -7.761 -4.725 1.00 42.21 H new ATOM 0 HG13 ILE A 110 0.123 -8.260 -4.253 1.00 42.21 H new ATOM 0 HG21 ILE A 110 1.065 -4.991 -5.811 1.00 42.41 H new ATOM 0 HG22 ILE A 110 1.133 -4.102 -4.271 1.00 42.41 H new ATOM 0 HG23 ILE A 110 2.375 -5.318 -4.652 1.00 42.41 H new ATOM 0 HD11 ILE A 110 0.444 -8.499 -6.665 1.00 74.40 H new ATOM 0 HD12 ILE A 110 -0.801 -7.275 -6.320 1.00 74.40 H new ATOM 0 HD13 ILE A 110 0.837 -6.769 -6.799 1.00 74.40 H new ATOM 1697 N HIS A 111 1.462 -4.126 -1.643 1.00 50.21 N ATOM 1698 CA HIS A 111 1.265 -2.869 -0.930 1.00 20.11 C ATOM 1699 C HIS A 111 1.681 -1.694 -1.797 1.00 2.22 C ATOM 1700 O HIS A 111 2.729 -1.733 -2.431 1.00 15.44 O ATOM 1701 CB HIS A 111 2.103 -2.829 0.365 1.00 1.43 C ATOM 1702 CG HIS A 111 1.886 -3.973 1.312 1.00 33.33 C ATOM 1703 ND1 HIS A 111 1.487 -3.807 2.619 1.00 54.44 N ATOM 1704 CD2 HIS A 111 2.065 -5.301 1.150 1.00 21.30 C ATOM 1705 CE1 HIS A 111 1.436 -4.981 3.215 1.00 61.32 C ATOM 1706 NE2 HIS A 111 1.781 -5.905 2.347 1.00 22.11 N ATOM 0 H HIS A 111 2.422 -4.294 -1.943 1.00 50.21 H new ATOM 0 HA HIS A 111 0.205 -2.800 -0.684 1.00 20.11 H new ATOM 0 HB2 HIS A 111 3.158 -2.801 0.093 1.00 1.43 H new ATOM 0 HB3 HIS A 111 1.884 -1.899 0.890 1.00 1.43 H new ATOM 0 HD1 HIS A 111 1.265 -2.913 3.058 1.00 54.44 H new ATOM 0 HD2 HIS A 111 2.375 -5.797 0.242 1.00 21.30 H new ATOM 0 HE1 HIS A 111 1.157 -5.155 4.244 1.00 61.32 H new ATOM 1715 N ILE A 112 0.861 -0.666 -1.832 1.00 55.03 N ATOM 1716 CA ILE A 112 1.218 0.559 -2.530 1.00 24.53 C ATOM 1717 C ILE A 112 1.559 1.623 -1.500 1.00 53.21 C ATOM 1718 O ILE A 112 0.765 1.887 -0.602 1.00 31.11 O ATOM 1719 CB ILE A 112 0.077 1.087 -3.434 1.00 34.01 C ATOM 1720 CG1 ILE A 112 -0.459 -0.016 -4.348 1.00 3.13 C ATOM 1721 CG2 ILE A 112 0.577 2.262 -4.268 1.00 42.00 C ATOM 1722 CD1 ILE A 112 -1.606 0.440 -5.234 1.00 4.22 C ATOM 0 H ILE A 112 -0.057 -0.650 -1.387 1.00 55.03 H new ATOM 0 HA ILE A 112 2.069 0.336 -3.174 1.00 24.53 H new ATOM 0 HB ILE A 112 -0.739 1.420 -2.793 1.00 34.01 H new ATOM 0 HG12 ILE A 112 0.352 -0.383 -4.977 1.00 3.13 H new ATOM 0 HG13 ILE A 112 -0.793 -0.854 -3.737 1.00 3.13 H new ATOM 0 HG21 ILE A 112 -0.231 2.628 -4.902 1.00 42.00 H new ATOM 0 HG22 ILE A 112 0.911 3.062 -3.607 1.00 42.00 H new ATOM 0 HG23 ILE A 112 1.409 1.937 -4.893 1.00 42.00 H new ATOM 0 HD11 ILE A 112 -1.938 -0.391 -5.856 1.00 4.22 H new ATOM 0 HD12 ILE A 112 -2.434 0.780 -4.612 1.00 4.22 H new ATOM 0 HD13 ILE A 112 -1.271 1.259 -5.871 1.00 4.22 H new ATOM 1734 N ILE A 113 2.734 2.214 -1.611 1.00 34.13 N ATOM 1735 CA ILE A 113 3.171 3.218 -0.646 1.00 10.11 C ATOM 1736 C ILE A 113 3.214 4.603 -1.277 1.00 2.14 C ATOM 1737 O ILE A 113 3.821 4.789 -2.329 1.00 43.41 O ATOM 1738 CB ILE A 113 4.577 2.888 -0.092 1.00 71.03 C ATOM 1739 CG1 ILE A 113 4.647 1.434 0.369 1.00 53.30 C ATOM 1740 CG2 ILE A 113 4.929 3.827 1.060 1.00 23.52 C ATOM 1741 CD1 ILE A 113 6.033 1.001 0.796 1.00 74.43 C ATOM 0 H ILE A 113 3.404 2.020 -2.355 1.00 34.13 H new ATOM 0 HA ILE A 113 2.447 3.208 0.169 1.00 10.11 H new ATOM 0 HB ILE A 113 5.303 3.030 -0.893 1.00 71.03 H new ATOM 0 HG12 ILE A 113 3.958 1.292 1.202 1.00 53.30 H new ATOM 0 HG13 ILE A 113 4.307 0.788 -0.440 1.00 53.30 H new ATOM 0 HG21 ILE A 113 5.921 3.582 1.439 1.00 23.52 H new ATOM 0 HG22 ILE A 113 4.920 4.858 0.705 1.00 23.52 H new ATOM 0 HG23 ILE A 113 4.197 3.713 1.859 1.00 23.52 H new ATOM 0 HD11 ILE A 113 6.007 -0.042 1.111 1.00 74.43 H new ATOM 0 HD12 ILE A 113 6.722 1.111 -0.041 1.00 74.43 H new ATOM 0 HD13 ILE A 113 6.369 1.622 1.626 1.00 74.43 H new ATOM 1753 N LEU A 114 2.573 5.560 -0.635 1.00 23.40 N ATOM 1754 CA LEU A 114 2.574 6.943 -1.098 1.00 23.43 C ATOM 1755 C LEU A 114 3.015 7.866 0.030 1.00 3.22 C ATOM 1756 O LEU A 114 2.336 7.967 1.046 1.00 4.53 O ATOM 1757 CB LEU A 114 1.176 7.355 -1.578 1.00 31.25 C ATOM 1758 CG LEU A 114 1.013 8.835 -1.959 1.00 43.42 C ATOM 1759 CD1 LEU A 114 1.780 9.159 -3.228 1.00 3.03 C ATOM 1760 CD2 LEU A 114 -0.454 9.193 -2.114 1.00 2.42 C ATOM 0 H LEU A 114 2.037 5.407 0.219 1.00 23.40 H new ATOM 0 HA LEU A 114 3.270 7.025 -1.932 1.00 23.43 H new ATOM 0 HB2 LEU A 114 0.914 6.745 -2.443 1.00 31.25 H new ATOM 0 HB3 LEU A 114 0.458 7.120 -0.792 1.00 31.25 H new ATOM 0 HG LEU A 114 1.429 9.437 -1.151 1.00 43.42 H new ATOM 0 HD11 LEU A 114 1.647 10.212 -3.474 1.00 3.03 H new ATOM 0 HD12 LEU A 114 2.839 8.953 -3.076 1.00 3.03 H new ATOM 0 HD13 LEU A 114 1.405 8.545 -4.047 1.00 3.03 H new ATOM 0 HD21 LEU A 114 -0.545 10.245 -2.384 1.00 2.42 H new ATOM 0 HD22 LEU A 114 -0.898 8.578 -2.897 1.00 2.42 H new ATOM 0 HD23 LEU A 114 -0.974 9.013 -1.173 1.00 2.42 H new ATOM 1772 N ARG A 115 4.142 8.530 -0.140 1.00 23.10 N ATOM 1773 CA ARG A 115 4.631 9.436 0.886 1.00 44.51 C ATOM 1774 C ARG A 115 3.957 10.793 0.756 1.00 35.10 C ATOM 1775 O ARG A 115 4.206 11.530 -0.196 1.00 53.54 O ATOM 1776 CB ARG A 115 6.156 9.594 0.818 1.00 72.11 C ATOM 1777 CG ARG A 115 6.700 10.589 1.836 1.00 3.04 C ATOM 1778 CD ARG A 115 8.209 10.744 1.746 1.00 31.43 C ATOM 1779 NE ARG A 115 8.679 11.862 2.570 1.00 60.55 N ATOM 1780 CZ ARG A 115 9.952 12.229 2.712 1.00 3.43 C ATOM 1781 NH1 ARG A 115 10.918 11.571 2.087 1.00 22.22 N ATOM 1782 NH2 ARG A 115 10.253 13.272 3.480 1.00 52.41 N ATOM 0 H ARG A 115 4.732 8.462 -0.969 1.00 23.10 H new ATOM 0 HA ARG A 115 4.383 9.004 1.856 1.00 44.51 H new ATOM 0 HB2 ARG A 115 6.624 8.623 0.982 1.00 72.11 H new ATOM 0 HB3 ARG A 115 6.437 9.918 -0.184 1.00 72.11 H new ATOM 0 HG2 ARG A 115 6.228 11.559 1.680 1.00 3.04 H new ATOM 0 HG3 ARG A 115 6.430 10.261 2.840 1.00 3.04 H new ATOM 0 HD2 ARG A 115 8.692 9.822 2.070 1.00 31.43 H new ATOM 0 HD3 ARG A 115 8.499 10.907 0.708 1.00 31.43 H new ATOM 0 HE ARG A 115 7.976 12.402 3.075 1.00 60.55 H new ATOM 0 HH11 ARG A 115 10.690 10.776 1.491 1.00 22.22 H new ATOM 0 HH12 ARG A 115 11.889 11.860 2.202 1.00 22.22 H new ATOM 0 HH21 ARG A 115 9.511 13.786 3.956 1.00 52.41 H new ATOM 0 HH22 ARG A 115 11.225 13.558 3.593 1.00 52.41 H new ATOM 1796 N THR A 116 3.105 11.114 1.706 1.00 34.13 N ATOM 1797 CA THR A 116 2.390 12.370 1.696 1.00 71.40 C ATOM 1798 C THR A 116 3.215 13.478 2.352 1.00 11.33 C ATOM 1799 O THR A 116 3.141 14.642 1.952 1.00 24.23 O ATOM 1800 CB THR A 116 1.032 12.229 2.398 1.00 31.20 C ATOM 1801 OG1 THR A 116 1.197 11.521 3.635 1.00 52.13 O ATOM 1802 CG2 THR A 116 0.045 11.479 1.511 1.00 14.41 C ATOM 0 H THR A 116 2.890 10.514 2.503 1.00 34.13 H new ATOM 0 HA THR A 116 2.216 12.645 0.656 1.00 71.40 H new ATOM 0 HB THR A 116 0.639 13.226 2.596 1.00 31.20 H new ATOM 0 HG1 THR A 116 0.329 11.434 4.081 1.00 52.13 H new ATOM 0 HG21 THR A 116 -0.911 11.389 2.026 1.00 14.41 H new ATOM 0 HG22 THR A 116 -0.095 12.026 0.579 1.00 14.41 H new ATOM 0 HG23 THR A 116 0.435 10.485 1.293 1.00 14.41 H new ATOM 1810 N GLU A 117 4.006 13.110 3.352 1.00 1.42 N ATOM 1811 CA GLU A 117 4.891 14.054 4.020 1.00 34.54 C ATOM 1812 C GLU A 117 6.296 13.491 4.084 1.00 72.53 C ATOM 1813 O GLU A 117 6.535 12.580 4.905 1.00 0.00 O ATOM 1814 CB GLU A 117 4.415 14.392 5.435 1.00 4.11 C ATOM 1815 CG GLU A 117 3.114 15.172 5.509 1.00 62.42 C ATOM 1816 CD GLU A 117 2.840 15.661 6.913 1.00 21.33 C ATOM 1817 OE1 GLU A 117 3.709 16.363 7.473 1.00 14.01 O ATOM 1818 OE2 GLU A 117 1.766 15.345 7.474 1.00 54.15 O ATOM 1819 OXT GLU A 117 7.161 13.960 3.320 1.00 0.00 O ATOM 0 H GLU A 117 4.052 12.160 3.719 1.00 1.42 H new ATOM 0 HA GLU A 117 4.881 14.974 3.435 1.00 34.54 H new ATOM 0 HB2 GLU A 117 4.296 13.463 5.993 1.00 4.11 H new ATOM 0 HB3 GLU A 117 5.194 14.967 5.936 1.00 4.11 H new ATOM 0 HG2 GLU A 117 3.159 16.023 4.829 1.00 62.42 H new ATOM 0 HG3 GLU A 117 2.291 14.541 5.175 1.00 62.42 H new