USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 587 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 231 HIS : no HD1:sc= 0.617 K(o=1.2,f=-3.6) USER MOD Set 1.2: A 234 LYS NZ :NH3+ 176:sc= 0.536 (180deg=0) USER MOD Single : A 176 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 184 THR OG1 : rot -29:sc= 0.549 USER MOD Single : A 188 CYS SG : rot 36:sc= 0.279 USER MOD Single : A 191 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 193 THR OG1 : rot -112:sc= 1.23 USER MOD Single : A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 SER OG : rot 24:sc= 0.364 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 198 SER OG : rot -38:sc= 0.698 USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 SER OG : rot 170:sc= 0 USER MOD Single : A 204 ASN : amide:sc= 0.273 X(o=0.27,f=0) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 LYS NZ :NH3+ 154:sc= -0.101 (180deg=-0.612) USER MOD Single : A 209 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 211 SER OG : rot 180:sc= 0 USER MOD Single : A 214 MET CE :methyl 175:sc= 0 (180deg=-0.0441) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 CYS SG : rot -107:sc= -0.791! USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 228 GLN : amide:sc= -0.031 K(o=-0.031,f=-0.6) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= -2.25 K(o=-2.2,f=-4.1!) USER MOD Single : A 236 HIS : no HE2:sc= 0.725 K(o=0.73,f=-3.4!) USER MOD Single : A 237 THR OG1 : rot 180:sc= -0.0292 USER MOD Single : A 241 SER OG : rot -170:sc= 0 USER MOD Single : A 243 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 -50.064 -69.768 -25.017 1.00 44.44 N ATOM 2 CA ARG A 175 -49.533 -69.635 -26.375 1.00 25.31 C ATOM 3 C ARG A 175 -49.884 -68.235 -26.868 1.00 23.33 C ATOM 4 O ARG A 175 -50.790 -67.614 -26.309 1.00 72.25 O ATOM 5 CB ARG A 175 -50.069 -70.737 -27.317 1.00 63.20 C ATOM 6 CG ARG A 175 -51.602 -70.815 -27.444 1.00 35.43 C ATOM 7 CD ARG A 175 -52.002 -71.883 -28.475 1.00 51.31 C ATOM 8 NE ARG A 175 -53.465 -72.092 -28.518 1.00 63.41 N ATOM 9 CZ ARG A 175 -54.124 -73.263 -28.493 1.00 22.04 C ATOM 10 NH1 ARG A 175 -53.467 -74.422 -28.420 1.00 63.22 N1+ ATOM 11 NH2 ARG A 175 -55.455 -73.273 -28.538 1.00 52.51 N ATOM 0 HA ARG A 175 -48.451 -69.766 -26.369 1.00 25.31 H new ATOM 0 HB2 ARG A 175 -49.648 -70.578 -28.310 1.00 63.20 H new ATOM 0 HB3 ARG A 175 -49.702 -71.701 -26.965 1.00 63.20 H new ATOM 0 HG2 ARG A 175 -52.042 -71.053 -26.475 1.00 35.43 H new ATOM 0 HG3 ARG A 175 -51.998 -69.845 -27.744 1.00 35.43 H new ATOM 0 HD2 ARG A 175 -51.650 -71.584 -29.462 1.00 51.31 H new ATOM 0 HD3 ARG A 175 -51.508 -72.824 -28.232 1.00 51.31 H new ATOM 0 HE ARG A 175 -54.040 -71.251 -28.573 1.00 63.41 H new ATOM 0 HH11 ARG A 175 -52.448 -74.429 -28.382 1.00 63.22 H new ATOM 0 HH12 ARG A 175 -53.984 -75.301 -28.402 1.00 63.22 H new ATOM 0 HH21 ARG A 175 -55.970 -72.394 -28.591 1.00 52.51 H new ATOM 0 HH22 ARG A 175 -55.959 -74.159 -28.519 1.00 52.51 H new ATOM 25 N SER A 176 -49.206 -67.760 -27.903 1.00 54.30 N ATOM 26 CA SER A 176 -49.398 -66.452 -28.511 1.00 40.15 C ATOM 27 C SER A 176 -48.763 -66.503 -29.907 1.00 12.11 C ATOM 28 O SER A 176 -48.031 -67.447 -30.207 1.00 40.04 O ATOM 29 CB SER A 176 -48.758 -65.371 -27.616 1.00 24.33 C ATOM 30 OG SER A 176 -47.537 -65.807 -27.038 1.00 71.11 O ATOM 0 H SER A 176 -48.474 -68.301 -28.362 1.00 54.30 H new ATOM 0 HA SER A 176 -50.454 -66.198 -28.608 1.00 40.15 H new ATOM 0 HB2 SER A 176 -48.578 -64.473 -28.207 1.00 24.33 H new ATOM 0 HB3 SER A 176 -49.456 -65.098 -26.824 1.00 24.33 H new ATOM 0 HG SER A 176 -47.165 -65.092 -26.481 1.00 71.11 H new ATOM 36 N LEU A 177 -49.035 -65.512 -30.759 1.00 42.40 N ATOM 37 CA LEU A 177 -48.376 -65.337 -32.051 1.00 14.14 C ATOM 38 C LEU A 177 -48.445 -63.848 -32.406 1.00 25.25 C ATOM 39 O LEU A 177 -49.333 -63.152 -31.907 1.00 72.32 O ATOM 40 CB LEU A 177 -49.084 -66.207 -33.113 1.00 62.05 C ATOM 41 CG LEU A 177 -48.150 -66.695 -34.237 1.00 74.24 C ATOM 42 CD1 LEU A 177 -47.156 -67.750 -33.727 1.00 32.31 C ATOM 43 CD2 LEU A 177 -48.985 -67.318 -35.361 1.00 21.13 C ATOM 0 H LEU A 177 -49.734 -64.795 -30.564 1.00 42.40 H new ATOM 0 HA LEU A 177 -47.333 -65.652 -32.013 1.00 14.14 H new ATOM 0 HB2 LEU A 177 -49.530 -67.072 -32.622 1.00 62.05 H new ATOM 0 HB3 LEU A 177 -49.900 -65.634 -33.554 1.00 62.05 H new ATOM 0 HG LEU A 177 -47.590 -65.833 -34.601 1.00 74.24 H new ATOM 0 HD11 LEU A 177 -46.514 -68.071 -34.547 1.00 32.31 H new ATOM 0 HD12 LEU A 177 -46.544 -67.320 -32.934 1.00 32.31 H new ATOM 0 HD13 LEU A 177 -47.704 -68.608 -33.338 1.00 32.31 H new ATOM 0 HD21 LEU A 177 -48.325 -67.663 -36.156 1.00 21.13 H new ATOM 0 HD22 LEU A 177 -49.552 -68.162 -34.968 1.00 21.13 H new ATOM 0 HD23 LEU A 177 -49.673 -66.572 -35.759 1.00 21.13 H new ATOM 55 N ARG A 178 -47.515 -63.345 -33.224 1.00 24.30 N ATOM 56 CA ARG A 178 -47.503 -62.006 -33.827 1.00 3.45 C ATOM 57 C ARG A 178 -46.657 -62.091 -35.103 1.00 25.42 C ATOM 58 O ARG A 178 -45.998 -63.105 -35.327 1.00 34.30 O ATOM 59 CB ARG A 178 -46.912 -60.944 -32.866 1.00 73.44 C ATOM 60 CG ARG A 178 -47.899 -60.390 -31.823 1.00 23.23 C ATOM 61 CD ARG A 178 -47.695 -60.963 -30.413 1.00 61.32 C ATOM 62 NE ARG A 178 -48.785 -60.536 -29.515 1.00 43.12 N ATOM 63 CZ ARG A 178 -48.721 -59.659 -28.499 1.00 4.41 C ATOM 64 NH1 ARG A 178 -47.561 -59.097 -28.154 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 -49.826 -59.343 -27.828 1.00 63.23 N ATOM 0 H ARG A 178 -46.701 -63.894 -33.500 1.00 24.30 H new ATOM 0 HA ARG A 178 -48.524 -61.695 -34.046 1.00 3.45 H new ATOM 0 HB2 ARG A 178 -46.062 -61.382 -32.343 1.00 73.44 H new ATOM 0 HB3 ARG A 178 -46.528 -60.113 -33.458 1.00 73.44 H new ATOM 0 HG2 ARG A 178 -47.800 -59.305 -31.782 1.00 23.23 H new ATOM 0 HG3 ARG A 178 -48.917 -60.605 -32.149 1.00 23.23 H new ATOM 0 HD2 ARG A 178 -47.660 -62.051 -30.459 1.00 61.32 H new ATOM 0 HD3 ARG A 178 -46.737 -60.630 -30.014 1.00 61.32 H new ATOM 0 HE ARG A 178 -49.698 -60.958 -29.686 1.00 43.12 H new ATOM 0 HH11 ARG A 178 -46.709 -59.332 -28.664 1.00 33.23 H new ATOM 0 HH12 ARG A 178 -47.526 -58.433 -27.381 1.00 33.23 H new ATOM 0 HH21 ARG A 178 -50.718 -59.766 -28.086 1.00 63.23 H new ATOM 0 HH22 ARG A 178 -49.781 -58.678 -27.056 1.00 63.23 H new ATOM 79 N GLN A 179 -46.626 -61.022 -35.902 1.00 24.00 N ATOM 80 CA GLN A 179 -45.793 -60.881 -37.094 1.00 3.32 C ATOM 81 C GLN A 179 -45.297 -59.431 -37.196 1.00 35.51 C ATOM 82 O GLN A 179 -45.682 -58.588 -36.380 1.00 2.32 O ATOM 83 CB GLN A 179 -46.595 -61.330 -38.332 1.00 52.52 C ATOM 84 CG GLN A 179 -47.784 -60.415 -38.682 1.00 55.30 C ATOM 85 CD GLN A 179 -48.870 -61.184 -39.430 1.00 71.53 C ATOM 86 OE1 GLN A 179 -49.642 -61.907 -38.817 1.00 14.25 O ATOM 87 NE2 GLN A 179 -48.958 -61.060 -40.744 1.00 3.14 N ATOM 0 H GLN A 179 -47.204 -60.200 -35.728 1.00 24.00 H new ATOM 0 HA GLN A 179 -44.912 -61.520 -37.033 1.00 3.32 H new ATOM 0 HB2 GLN A 179 -45.923 -61.377 -39.189 1.00 52.52 H new ATOM 0 HB3 GLN A 179 -46.967 -62.341 -38.163 1.00 52.52 H new ATOM 0 HG2 GLN A 179 -48.200 -59.989 -37.769 1.00 55.30 H new ATOM 0 HG3 GLN A 179 -47.438 -59.582 -39.294 1.00 55.30 H new ATOM 0 HE21 GLN A 179 -48.308 -60.453 -41.244 1.00 3.14 H new ATOM 0 HE22 GLN A 179 -49.676 -61.571 -41.258 1.00 3.14 H new ATOM 96 N ARG A 180 -44.463 -59.129 -38.196 1.00 65.05 N ATOM 97 CA ARG A 180 -44.092 -57.765 -38.584 1.00 64.25 C ATOM 98 C ARG A 180 -44.111 -57.676 -40.105 1.00 43.03 C ATOM 99 O ARG A 180 -45.107 -57.225 -40.646 1.00 61.12 O ATOM 100 CB ARG A 180 -42.734 -57.331 -37.987 1.00 54.40 C ATOM 101 CG ARG A 180 -42.811 -56.744 -36.569 1.00 40.31 C ATOM 102 CD ARG A 180 -43.532 -55.385 -36.545 1.00 25.33 C ATOM 103 NE ARG A 180 -43.346 -54.689 -35.257 1.00 63.12 N ATOM 104 CZ ARG A 180 -42.341 -53.859 -34.935 1.00 4.44 C ATOM 105 NH1 ARG A 180 -41.379 -53.571 -35.812 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 -42.300 -53.323 -33.716 1.00 74.54 N ATOM 0 H ARG A 180 -44.017 -59.843 -38.772 1.00 65.05 H new ATOM 0 HA ARG A 180 -44.818 -57.064 -38.172 1.00 64.25 H new ATOM 0 HB2 ARG A 180 -42.067 -58.193 -37.972 1.00 54.40 H new ATOM 0 HB3 ARG A 180 -42.283 -56.591 -38.647 1.00 54.40 H new ATOM 0 HG2 ARG A 180 -43.333 -57.443 -35.915 1.00 40.31 H new ATOM 0 HG3 ARG A 180 -41.803 -56.627 -36.170 1.00 40.31 H new ATOM 0 HD2 ARG A 180 -43.155 -54.759 -37.354 1.00 25.33 H new ATOM 0 HD3 ARG A 180 -44.596 -55.535 -36.727 1.00 25.33 H new ATOM 0 HE ARG A 180 -44.052 -54.855 -34.540 1.00 63.12 H new ATOM 0 HH11 ARG A 180 -41.399 -53.983 -36.745 1.00 33.41 H new ATOM 0 HH12 ARG A 180 -40.623 -52.938 -35.550 1.00 33.41 H new ATOM 0 HH21 ARG A 180 -43.028 -53.544 -33.037 1.00 74.54 H new ATOM 0 HH22 ARG A 180 -41.541 -52.691 -33.462 1.00 74.54 H new ATOM 120 N LEU A 181 -43.049 -58.153 -40.767 1.00 42.44 N ATOM 121 CA LEU A 181 -42.788 -57.974 -42.199 1.00 73.23 C ATOM 122 C LEU A 181 -42.956 -56.496 -42.594 1.00 71.21 C ATOM 123 O LEU A 181 -43.805 -56.125 -43.397 1.00 74.14 O ATOM 124 CB LEU A 181 -43.622 -58.970 -43.038 1.00 33.22 C ATOM 125 CG LEU A 181 -42.992 -59.419 -44.375 1.00 33.35 C ATOM 126 CD1 LEU A 181 -42.625 -58.276 -45.327 1.00 5.21 C ATOM 127 CD2 LEU A 181 -41.758 -60.302 -44.143 1.00 70.12 C ATOM 0 H LEU A 181 -42.321 -58.695 -40.301 1.00 42.44 H new ATOM 0 HA LEU A 181 -41.749 -58.218 -42.422 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -43.811 -59.856 -42.432 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -44.590 -58.516 -43.249 1.00 33.22 H new ATOM 0 HG LEU A 181 -43.780 -59.991 -44.865 1.00 33.35 H new ATOM 0 HD11 LEU A 181 -42.190 -58.687 -46.238 1.00 5.21 H new ATOM 0 HD12 LEU A 181 -43.521 -57.709 -45.577 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -41.902 -57.618 -44.844 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -41.339 -60.601 -45.104 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -41.011 -59.743 -43.579 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -42.047 -61.190 -43.581 1.00 70.12 H new ATOM 139 N GLN A 182 -42.132 -55.639 -41.992 1.00 62.31 N ATOM 140 CA GLN A 182 -42.088 -54.206 -42.234 1.00 40.10 C ATOM 141 C GLN A 182 -40.646 -53.809 -41.948 1.00 63.11 C ATOM 142 O GLN A 182 -40.305 -53.504 -40.809 1.00 12.30 O ATOM 143 CB GLN A 182 -43.107 -53.501 -41.320 1.00 72.53 C ATOM 144 CG GLN A 182 -43.089 -51.971 -41.461 1.00 23.40 C ATOM 145 CD GLN A 182 -44.036 -51.303 -40.465 1.00 41.05 C ATOM 146 OE1 GLN A 182 -44.004 -51.579 -39.271 1.00 54.13 O ATOM 147 NE2 GLN A 182 -44.891 -50.402 -40.923 1.00 22.23 N ATOM 0 H GLN A 182 -41.451 -55.941 -41.295 1.00 62.31 H new ATOM 0 HA GLN A 182 -42.361 -53.920 -43.250 1.00 40.10 H new ATOM 0 HB2 GLN A 182 -44.107 -53.869 -41.550 1.00 72.53 H new ATOM 0 HB3 GLN A 182 -42.900 -53.766 -40.283 1.00 72.53 H new ATOM 0 HG2 GLN A 182 -42.075 -51.602 -41.303 1.00 23.40 H new ATOM 0 HG3 GLN A 182 -43.374 -51.695 -42.476 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -44.911 -50.178 -41.918 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -45.529 -49.932 -40.281 1.00 22.23 H new ATOM 156 N ASP A 183 -39.805 -53.904 -42.976 1.00 20.03 N ATOM 157 CA ASP A 183 -38.346 -53.765 -42.862 1.00 43.12 C ATOM 158 C ASP A 183 -37.794 -52.703 -43.807 1.00 32.23 C ATOM 159 O ASP A 183 -36.754 -52.092 -43.602 1.00 34.24 O ATOM 160 CB ASP A 183 -37.747 -55.146 -43.161 1.00 20.31 C ATOM 161 CG ASP A 183 -36.269 -55.225 -42.797 1.00 12.13 C ATOM 162 OD1 ASP A 183 -36.004 -55.187 -41.576 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 -35.462 -55.400 -43.733 1.00 22.45 O ATOM 0 H ASP A 183 -40.119 -54.083 -43.930 1.00 20.03 H new ATOM 0 HA ASP A 183 -38.076 -53.430 -41.860 1.00 43.12 H new ATOM 0 HB2 ASP A 183 -38.297 -55.906 -42.606 1.00 20.31 H new ATOM 0 HB3 ASP A 183 -37.871 -55.372 -44.220 1.00 20.31 H new ATOM 168 N THR A 184 -38.625 -52.339 -44.770 1.00 51.30 N ATOM 169 CA THR A 184 -38.308 -51.458 -45.879 1.00 22.11 C ATOM 170 C THR A 184 -38.406 -49.966 -45.506 1.00 53.13 C ATOM 171 O THR A 184 -38.271 -49.104 -46.375 1.00 71.31 O ATOM 172 CB THR A 184 -39.242 -51.858 -47.044 1.00 3.31 C ATOM 173 OG1 THR A 184 -38.994 -51.103 -48.209 1.00 25.41 O ATOM 174 CG2 THR A 184 -40.741 -51.746 -46.690 1.00 51.10 C ATOM 0 H THR A 184 -39.590 -52.669 -44.799 1.00 51.30 H new ATOM 0 HA THR A 184 -37.266 -51.578 -46.176 1.00 22.11 H new ATOM 0 HB THR A 184 -39.011 -52.906 -47.234 1.00 3.31 H new ATOM 0 HG1 THR A 184 -38.650 -50.220 -47.959 1.00 25.41 H new ATOM 0 HG21 THR A 184 -41.341 -52.041 -47.551 1.00 51.10 H new ATOM 0 HG22 THR A 184 -40.966 -52.402 -45.849 1.00 51.10 H new ATOM 0 HG23 THR A 184 -40.975 -50.716 -46.420 1.00 51.10 H new ATOM 182 N VAL A 185 -38.718 -49.635 -44.254 1.00 43.51 N ATOM 183 CA VAL A 185 -39.268 -48.332 -43.873 1.00 73.04 C ATOM 184 C VAL A 185 -38.201 -47.306 -43.452 1.00 11.42 C ATOM 185 O VAL A 185 -38.561 -46.291 -42.864 1.00 54.52 O ATOM 186 CB VAL A 185 -40.380 -48.537 -42.818 1.00 23.54 C ATOM 187 CG1 VAL A 185 -41.572 -49.293 -43.430 1.00 72.43 C ATOM 188 CG2 VAL A 185 -39.902 -49.291 -41.565 1.00 23.12 C ATOM 0 H VAL A 185 -38.595 -50.270 -43.466 1.00 43.51 H new ATOM 0 HA VAL A 185 -39.713 -47.879 -44.759 1.00 73.04 H new ATOM 0 HB VAL A 185 -40.680 -47.537 -42.505 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -42.345 -49.428 -42.673 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -41.977 -48.720 -44.264 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -41.240 -50.268 -43.787 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -40.732 -49.400 -40.867 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -39.537 -50.277 -41.851 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -39.098 -48.731 -41.088 1.00 23.12 H new ATOM 198 N GLY A 186 -36.916 -47.561 -43.742 1.00 64.11 N ATOM 199 CA GLY A 186 -35.759 -46.869 -43.165 1.00 14.24 C ATOM 200 C GLY A 186 -35.883 -45.343 -43.091 1.00 62.45 C ATOM 201 O GLY A 186 -35.724 -44.774 -42.012 1.00 21.23 O ATOM 0 H GLY A 186 -36.647 -48.283 -44.411 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -35.590 -47.253 -42.159 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -34.876 -47.118 -43.754 1.00 14.24 H new ATOM 205 N LEU A 187 -36.199 -44.690 -44.219 1.00 72.41 N ATOM 206 CA LEU A 187 -36.312 -43.230 -44.333 1.00 12.03 C ATOM 207 C LEU A 187 -35.056 -42.525 -43.775 1.00 61.21 C ATOM 208 O LEU A 187 -33.981 -43.117 -43.777 1.00 12.43 O ATOM 209 CB LEU A 187 -37.669 -42.766 -43.729 1.00 63.55 C ATOM 210 CG LEU A 187 -38.704 -42.247 -44.745 1.00 32.34 C ATOM 211 CD1 LEU A 187 -38.241 -40.953 -45.431 1.00 15.23 C ATOM 212 CD2 LEU A 187 -39.079 -43.305 -45.790 1.00 11.21 C ATOM 0 H LEU A 187 -36.387 -45.174 -45.097 1.00 72.41 H new ATOM 0 HA LEU A 187 -36.335 -42.927 -45.380 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -38.108 -43.601 -43.183 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -37.473 -41.978 -43.002 1.00 63.55 H new ATOM 0 HG LEU A 187 -39.601 -42.020 -44.169 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -39.002 -40.624 -46.139 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -38.085 -40.179 -44.680 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -37.307 -41.137 -45.962 1.00 15.23 H new ATOM 0 HD21 LEU A 187 -39.811 -42.889 -46.482 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -38.187 -43.604 -46.341 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -39.505 -44.175 -45.290 1.00 11.21 H new ATOM 224 N CYS A 188 -35.147 -41.225 -43.452 1.00 5.10 N ATOM 225 CA CYS A 188 -34.273 -40.497 -42.519 1.00 41.23 C ATOM 226 C CYS A 188 -32.780 -40.822 -42.665 1.00 61.24 C ATOM 227 O CYS A 188 -32.203 -41.485 -41.803 1.00 13.40 O ATOM 228 CB CYS A 188 -34.779 -40.498 -41.057 1.00 24.44 C ATOM 229 SG CYS A 188 -35.842 -41.901 -40.593 1.00 53.45 S ATOM 0 H CYS A 188 -35.867 -40.624 -43.854 1.00 5.10 H new ATOM 0 HA CYS A 188 -34.349 -39.457 -42.836 1.00 41.23 H new ATOM 0 HB2 CYS A 188 -33.915 -40.485 -40.393 1.00 24.44 H new ATOM 0 HB3 CYS A 188 -35.330 -39.574 -40.882 1.00 24.44 H new ATOM 0 HG CYS A 188 -35.439 -42.973 -41.208 1.00 53.45 H new ATOM 235 N PHE A 189 -32.144 -40.314 -43.724 1.00 52.22 N ATOM 236 CA PHE A 189 -30.752 -40.597 -44.060 1.00 21.13 C ATOM 237 C PHE A 189 -29.883 -39.334 -43.907 1.00 22.14 C ATOM 238 O PHE A 189 -29.521 -38.701 -44.904 1.00 63.21 O ATOM 239 CB PHE A 189 -30.681 -41.259 -45.451 1.00 11.22 C ATOM 240 CG PHE A 189 -31.496 -40.590 -46.552 1.00 52.44 C ATOM 241 CD1 PHE A 189 -32.868 -40.881 -46.687 1.00 72.12 C ATOM 242 CD2 PHE A 189 -30.889 -39.690 -47.451 1.00 41.44 C ATOM 243 CE1 PHE A 189 -33.630 -40.262 -47.693 1.00 71.13 C ATOM 244 CE2 PHE A 189 -31.651 -39.069 -48.456 1.00 33.44 C ATOM 245 CZ PHE A 189 -33.022 -39.352 -48.576 1.00 32.31 C ATOM 0 H PHE A 189 -32.595 -39.681 -44.384 1.00 52.22 H new ATOM 0 HA PHE A 189 -30.330 -41.315 -43.357 1.00 21.13 H new ATOM 0 HB2 PHE A 189 -29.638 -41.288 -45.765 1.00 11.22 H new ATOM 0 HB3 PHE A 189 -31.014 -42.293 -45.357 1.00 11.22 H new ATOM 0 HD1 PHE A 189 -33.337 -41.584 -46.014 1.00 72.12 H new ATOM 0 HD2 PHE A 189 -29.834 -39.476 -47.367 1.00 41.44 H new ATOM 0 HE1 PHE A 189 -34.682 -40.485 -47.788 1.00 71.13 H new ATOM 0 HE2 PHE A 189 -31.182 -38.374 -49.137 1.00 33.44 H new ATOM 0 HZ PHE A 189 -33.608 -38.871 -49.345 1.00 32.31 H new ATOM 255 N PRO A 190 -29.536 -38.922 -42.673 1.00 74.42 N ATOM 256 CA PRO A 190 -28.519 -37.902 -42.460 1.00 62.01 C ATOM 257 C PRO A 190 -27.129 -38.462 -42.790 1.00 31.33 C ATOM 258 O PRO A 190 -26.952 -39.663 -43.003 1.00 55.50 O ATOM 259 CB PRO A 190 -28.662 -37.488 -40.992 1.00 44.41 C ATOM 260 CG PRO A 190 -29.142 -38.772 -40.322 1.00 32.21 C ATOM 261 CD PRO A 190 -29.984 -39.456 -41.395 1.00 14.15 C ATOM 0 HA PRO A 190 -28.643 -37.036 -43.110 1.00 62.01 H new ATOM 0 HB2 PRO A 190 -27.715 -37.144 -40.575 1.00 44.41 H new ATOM 0 HB3 PRO A 190 -29.378 -36.676 -40.869 1.00 44.41 H new ATOM 0 HG2 PRO A 190 -28.305 -39.398 -40.013 1.00 32.21 H new ATOM 0 HG3 PRO A 190 -29.729 -38.560 -39.428 1.00 32.21 H new ATOM 0 HD2 PRO A 190 -29.854 -40.538 -41.359 1.00 14.15 H new ATOM 0 HD3 PRO A 190 -31.045 -39.257 -41.242 1.00 14.15 H new ATOM 269 N MET A 191 -26.125 -37.584 -42.781 1.00 5.12 N ATOM 270 CA MET A 191 -24.707 -37.919 -42.873 1.00 32.15 C ATOM 271 C MET A 191 -23.974 -37.025 -41.878 1.00 53.20 C ATOM 272 O MET A 191 -22.966 -36.390 -42.181 1.00 13.41 O ATOM 273 CB MET A 191 -24.181 -37.789 -44.312 1.00 33.21 C ATOM 274 CG MET A 191 -24.657 -38.944 -45.196 1.00 23.31 C ATOM 275 SD MET A 191 -23.767 -39.085 -46.770 1.00 33.12 S ATOM 276 CE MET A 191 -24.590 -37.774 -47.712 1.00 34.42 C ATOM 0 H MET A 191 -26.286 -36.580 -42.706 1.00 5.12 H new ATOM 0 HA MET A 191 -24.534 -38.964 -42.617 1.00 32.15 H new ATOM 0 HB2 MET A 191 -24.516 -36.843 -44.738 1.00 33.21 H new ATOM 0 HB3 MET A 191 -23.091 -37.765 -44.300 1.00 33.21 H new ATOM 0 HG2 MET A 191 -24.549 -39.878 -44.645 1.00 23.31 H new ATOM 0 HG3 MET A 191 -25.720 -38.816 -45.402 1.00 23.31 H new ATOM 0 HE1 MET A 191 -24.162 -37.722 -48.713 1.00 34.42 H new ATOM 0 HE2 MET A 191 -25.656 -37.992 -47.784 1.00 34.42 H new ATOM 0 HE3 MET A 191 -24.448 -36.819 -47.206 1.00 34.42 H new ATOM 286 N ARG A 192 -24.486 -37.008 -40.651 1.00 54.31 N ATOM 287 CA ARG A 192 -24.073 -36.296 -39.474 1.00 71.24 C ATOM 288 C ARG A 192 -24.081 -34.796 -39.740 1.00 74.33 C ATOM 289 O ARG A 192 -25.093 -34.146 -39.474 1.00 44.54 O ATOM 290 CB ARG A 192 -22.755 -36.874 -38.945 1.00 53.03 C ATOM 291 CG ARG A 192 -22.633 -38.408 -38.812 1.00 10.34 C ATOM 292 CD ARG A 192 -22.351 -39.116 -40.145 1.00 64.52 C ATOM 293 NE ARG A 192 -21.538 -40.330 -39.995 1.00 53.10 N ATOM 294 CZ ARG A 192 -20.368 -40.598 -40.589 1.00 23.44 C ATOM 295 NH1 ARG A 192 -19.719 -39.659 -41.272 1.00 33.24 N1+ ATOM 296 NH2 ARG A 192 -19.871 -41.825 -40.497 1.00 13.53 N ATOM 0 H ARG A 192 -25.310 -37.574 -40.447 1.00 54.31 H new ATOM 0 HA ARG A 192 -24.784 -36.436 -38.660 1.00 71.24 H new ATOM 0 HB2 ARG A 192 -21.954 -36.532 -39.601 1.00 53.03 H new ATOM 0 HB3 ARG A 192 -22.571 -36.439 -37.963 1.00 53.03 H new ATOM 0 HG2 ARG A 192 -21.834 -38.642 -38.109 1.00 10.34 H new ATOM 0 HG3 ARG A 192 -23.556 -38.803 -38.388 1.00 10.34 H new ATOM 0 HD2 ARG A 192 -23.298 -39.377 -40.618 1.00 64.52 H new ATOM 0 HD3 ARG A 192 -21.840 -38.425 -40.815 1.00 64.52 H new ATOM 0 HE ARG A 192 -21.905 -41.048 -39.370 1.00 53.10 H new ATOM 0 HH11 ARG A 192 -20.112 -38.721 -41.348 1.00 33.24 H new ATOM 0 HH12 ARG A 192 -18.829 -39.877 -41.719 1.00 33.24 H new ATOM 0 HH21 ARG A 192 -20.379 -42.544 -39.981 1.00 13.53 H new ATOM 0 HH22 ARG A 192 -18.981 -42.050 -40.942 1.00 13.53 H new ATOM 310 N THR A 193 -23.014 -34.249 -40.302 1.00 21.21 N ATOM 311 CA THR A 193 -22.969 -32.909 -40.840 1.00 71.03 C ATOM 312 C THR A 193 -21.916 -32.900 -41.956 1.00 61.34 C ATOM 313 O THR A 193 -21.153 -33.859 -42.115 1.00 73.14 O ATOM 314 CB THR A 193 -22.741 -31.910 -39.688 1.00 53.20 C ATOM 315 OG1 THR A 193 -23.125 -30.606 -40.088 1.00 41.42 O ATOM 316 CG2 THR A 193 -21.326 -31.930 -39.112 1.00 75.33 C ATOM 0 H THR A 193 -22.129 -34.747 -40.396 1.00 21.21 H new ATOM 0 HA THR A 193 -23.905 -32.590 -41.297 1.00 71.03 H new ATOM 0 HB THR A 193 -23.379 -32.236 -38.867 1.00 53.20 H new ATOM 0 HG1 THR A 193 -22.330 -30.036 -40.152 1.00 41.42 H new ATOM 0 HG21 THR A 193 -21.250 -31.199 -38.307 1.00 75.33 H new ATOM 0 HG22 THR A 193 -21.106 -32.924 -38.721 1.00 75.33 H new ATOM 0 HG23 THR A 193 -20.610 -31.682 -39.896 1.00 75.33 H new ATOM 324 N TYR A 194 -21.901 -31.818 -42.734 1.00 32.21 N ATOM 325 CA TYR A 194 -21.016 -31.635 -43.885 1.00 24.41 C ATOM 326 C TYR A 194 -20.417 -30.225 -43.952 1.00 2.42 C ATOM 327 O TYR A 194 -19.805 -29.848 -44.947 1.00 43.14 O ATOM 328 CB TYR A 194 -21.788 -32.007 -45.161 1.00 72.14 C ATOM 329 CG TYR A 194 -22.955 -31.097 -45.531 1.00 73.13 C ATOM 330 CD1 TYR A 194 -24.149 -31.107 -44.779 1.00 45.31 C ATOM 331 CD2 TYR A 194 -22.867 -30.278 -46.671 1.00 72.31 C ATOM 332 CE1 TYR A 194 -25.239 -30.308 -45.163 1.00 5.30 C ATOM 333 CE2 TYR A 194 -23.963 -29.494 -47.076 1.00 32.21 C ATOM 334 CZ TYR A 194 -25.156 -29.509 -46.325 1.00 42.51 C ATOM 335 OH TYR A 194 -26.222 -28.761 -46.714 1.00 72.23 O ATOM 0 H TYR A 194 -22.521 -31.023 -42.577 1.00 32.21 H new ATOM 0 HA TYR A 194 -20.157 -32.298 -43.780 1.00 24.41 H new ATOM 0 HB2 TYR A 194 -21.086 -32.020 -45.995 1.00 72.14 H new ATOM 0 HB3 TYR A 194 -22.168 -33.022 -45.048 1.00 72.14 H new ATOM 0 HD1 TYR A 194 -24.225 -31.733 -43.902 1.00 45.31 H new ATOM 0 HD2 TYR A 194 -21.950 -30.251 -47.241 1.00 72.31 H new ATOM 0 HE1 TYR A 194 -26.141 -30.305 -44.569 1.00 5.30 H new ATOM 0 HE2 TYR A 194 -23.890 -28.881 -47.962 1.00 32.21 H new ATOM 0 HH TYR A 194 -25.996 -28.271 -47.532 1.00 72.23 H new ATOM 345 N SER A 195 -20.555 -29.508 -42.841 1.00 32.13 N ATOM 346 CA SER A 195 -19.853 -28.324 -42.377 1.00 10.15 C ATOM 347 C SER A 195 -20.134 -28.299 -40.871 1.00 61.15 C ATOM 348 O SER A 195 -21.243 -28.652 -40.451 1.00 42.40 O ATOM 349 CB SER A 195 -20.413 -27.036 -43.012 1.00 65.44 C ATOM 350 OG SER A 195 -20.119 -26.916 -44.392 1.00 24.24 O ATOM 0 H SER A 195 -21.258 -29.786 -42.156 1.00 32.13 H new ATOM 0 HA SER A 195 -18.795 -28.362 -42.635 1.00 10.15 H new ATOM 0 HB2 SER A 195 -21.494 -27.012 -42.875 1.00 65.44 H new ATOM 0 HB3 SER A 195 -20.006 -26.173 -42.485 1.00 65.44 H new ATOM 0 HG SER A 195 -19.959 -27.806 -44.771 1.00 24.24 H new ATOM 356 N LYS A 196 -19.166 -27.912 -40.042 1.00 35.23 N ATOM 357 CA LYS A 196 -19.329 -27.525 -38.644 1.00 32.13 C ATOM 358 C LYS A 196 -18.014 -26.856 -38.236 1.00 0.52 C ATOM 359 O LYS A 196 -17.346 -26.302 -39.109 1.00 54.11 O ATOM 360 CB LYS A 196 -19.718 -28.723 -37.751 1.00 20.51 C ATOM 361 CG LYS A 196 -20.687 -28.256 -36.652 1.00 51.31 C ATOM 362 CD LYS A 196 -22.144 -28.173 -37.137 1.00 13.40 C ATOM 363 CE LYS A 196 -22.998 -27.468 -36.077 1.00 13.14 C ATOM 364 NZ LYS A 196 -24.446 -27.604 -36.349 1.00 11.14 N1+ ATOM 0 H LYS A 196 -18.194 -27.857 -40.346 1.00 35.23 H new ATOM 0 HA LYS A 196 -20.158 -26.829 -38.514 1.00 32.13 H new ATOM 0 HB2 LYS A 196 -20.185 -29.502 -38.354 1.00 20.51 H new ATOM 0 HB3 LYS A 196 -18.826 -29.159 -37.302 1.00 20.51 H new ATOM 0 HG2 LYS A 196 -20.629 -28.942 -35.807 1.00 51.31 H new ATOM 0 HG3 LYS A 196 -20.373 -27.277 -36.290 1.00 51.31 H new ATOM 0 HD2 LYS A 196 -22.194 -27.629 -38.080 1.00 13.40 H new ATOM 0 HD3 LYS A 196 -22.533 -29.174 -37.326 1.00 13.40 H new ATOM 0 HE2 LYS A 196 -22.773 -27.885 -35.095 1.00 13.14 H new ATOM 0 HE3 LYS A 196 -22.734 -26.411 -36.043 1.00 13.14 H new ATOM 0 HZ1 LYS A 196 -24.986 -27.113 -35.608 1.00 11.14 H new ATOM 0 HZ2 LYS A 196 -24.666 -27.184 -37.274 1.00 11.14 H new ATOM 0 HZ3 LYS A 196 -24.705 -28.611 -36.356 1.00 11.14 H new ATOM 378 N GLN A 197 -17.661 -26.872 -36.946 1.00 54.34 N ATOM 379 CA GLN A 197 -16.311 -26.612 -36.459 1.00 31.24 C ATOM 380 C GLN A 197 -15.811 -25.217 -36.832 1.00 14.24 C ATOM 381 O GLN A 197 -15.199 -25.027 -37.886 1.00 54.12 O ATOM 382 CB GLN A 197 -15.358 -27.729 -36.926 1.00 52.12 C ATOM 383 CG GLN A 197 -13.904 -27.473 -36.483 1.00 43.43 C ATOM 384 CD GLN A 197 -12.933 -28.576 -36.909 1.00 62.31 C ATOM 385 OE1 GLN A 197 -13.305 -29.710 -37.212 1.00 22.03 O ATOM 386 NE2 GLN A 197 -11.642 -28.282 -36.941 1.00 44.20 N ATOM 0 H GLN A 197 -18.325 -27.071 -36.198 1.00 54.34 H new ATOM 0 HA GLN A 197 -16.336 -26.624 -35.369 1.00 31.24 H new ATOM 0 HB2 GLN A 197 -15.696 -28.685 -36.525 1.00 52.12 H new ATOM 0 HB3 GLN A 197 -15.397 -27.808 -38.012 1.00 52.12 H new ATOM 0 HG2 GLN A 197 -13.568 -26.523 -36.899 1.00 43.43 H new ATOM 0 HG3 GLN A 197 -13.875 -27.374 -35.398 1.00 43.43 H new ATOM 0 HE21 GLN A 197 -11.326 -27.345 -36.691 1.00 44.20 H new ATOM 0 HE22 GLN A 197 -10.964 -28.993 -37.215 1.00 44.20 H new ATOM 395 N SER A 198 -15.998 -24.233 -35.954 1.00 41.44 N ATOM 396 CA SER A 198 -15.263 -22.976 -36.064 1.00 54.41 C ATOM 397 C SER A 198 -15.192 -22.277 -34.702 1.00 63.14 C ATOM 398 O SER A 198 -15.935 -22.638 -33.786 1.00 14.14 O ATOM 399 CB SER A 198 -15.926 -22.051 -37.091 1.00 23.42 C ATOM 400 OG SER A 198 -16.460 -22.693 -38.237 1.00 4.34 O ATOM 0 H SER A 198 -16.645 -24.281 -35.167 1.00 41.44 H new ATOM 0 HA SER A 198 -14.251 -23.202 -36.399 1.00 54.41 H new ATOM 0 HB2 SER A 198 -16.728 -21.504 -36.596 1.00 23.42 H new ATOM 0 HB3 SER A 198 -15.192 -21.315 -37.418 1.00 23.42 H new ATOM 0 HG SER A 198 -15.866 -23.423 -38.510 1.00 4.34 H new ATOM 406 N LYS A 199 -14.327 -21.269 -34.554 1.00 11.23 N ATOM 407 CA LYS A 199 -14.282 -20.381 -33.391 1.00 2.21 C ATOM 408 C LYS A 199 -13.529 -19.090 -33.747 1.00 2.30 C ATOM 409 O LYS A 199 -12.318 -19.033 -33.539 1.00 75.01 O ATOM 410 CB LYS A 199 -13.701 -21.071 -32.137 1.00 55.42 C ATOM 411 CG LYS A 199 -12.434 -21.940 -32.307 1.00 60.32 C ATOM 412 CD LYS A 199 -11.343 -21.544 -31.300 1.00 62.24 C ATOM 413 CE LYS A 199 -10.122 -22.469 -31.299 1.00 63.50 C ATOM 414 NZ LYS A 199 -10.244 -23.593 -30.349 1.00 45.33 N1+ ATOM 0 H LYS A 199 -13.623 -21.044 -35.257 1.00 11.23 H new ATOM 0 HA LYS A 199 -15.307 -20.120 -33.128 1.00 2.21 H new ATOM 0 HB2 LYS A 199 -13.478 -20.297 -31.403 1.00 55.42 H new ATOM 0 HB3 LYS A 199 -14.482 -21.700 -31.710 1.00 55.42 H new ATOM 0 HG2 LYS A 199 -12.691 -22.991 -32.173 1.00 60.32 H new ATOM 0 HG3 LYS A 199 -12.051 -21.833 -33.322 1.00 60.32 H new ATOM 0 HD2 LYS A 199 -11.015 -20.528 -31.518 1.00 62.24 H new ATOM 0 HD3 LYS A 199 -11.775 -21.531 -30.300 1.00 62.24 H new ATOM 0 HE2 LYS A 199 -9.974 -22.865 -32.304 1.00 63.50 H new ATOM 0 HE3 LYS A 199 -9.234 -21.887 -31.052 1.00 63.50 H new ATOM 0 HZ1 LYS A 199 -9.388 -24.181 -30.395 1.00 45.33 H new ATOM 0 HZ2 LYS A 199 -10.357 -23.221 -29.384 1.00 45.33 H new ATOM 0 HZ3 LYS A 199 -11.074 -24.169 -30.597 1.00 45.33 H new ATOM 428 N PRO A 200 -14.180 -18.064 -34.317 1.00 22.33 N ATOM 429 CA PRO A 200 -13.534 -16.782 -34.555 1.00 61.21 C ATOM 430 C PRO A 200 -13.392 -16.035 -33.223 1.00 63.15 C ATOM 431 O PRO A 200 -13.939 -16.448 -32.187 1.00 70.42 O ATOM 432 CB PRO A 200 -14.484 -16.041 -35.498 1.00 43.42 C ATOM 433 CG PRO A 200 -15.830 -16.455 -34.930 1.00 75.53 C ATOM 434 CD PRO A 200 -15.613 -17.918 -34.524 1.00 21.14 C ATOM 0 HA PRO A 200 -12.535 -16.875 -34.982 1.00 61.21 H new ATOM 0 HB2 PRO A 200 -14.337 -14.961 -35.468 1.00 43.42 H new ATOM 0 HB3 PRO A 200 -14.361 -16.351 -36.536 1.00 43.42 H new ATOM 0 HG2 PRO A 200 -16.112 -15.839 -34.076 1.00 75.53 H new ATOM 0 HG3 PRO A 200 -16.625 -16.357 -35.669 1.00 75.53 H new ATOM 0 HD2 PRO A 200 -16.166 -18.158 -33.616 1.00 21.14 H new ATOM 0 HD3 PRO A 200 -15.967 -18.596 -35.301 1.00 21.14 H new ATOM 442 N LEU A 201 -12.749 -14.873 -33.285 1.00 44.43 N ATOM 443 CA LEU A 201 -12.503 -13.952 -32.185 1.00 11.42 C ATOM 444 C LEU A 201 -11.640 -14.598 -31.119 1.00 51.40 C ATOM 445 O LEU A 201 -11.363 -15.798 -31.156 1.00 54.24 O ATOM 446 CB LEU A 201 -13.831 -13.336 -31.680 1.00 24.05 C ATOM 447 CG LEU A 201 -13.791 -11.819 -31.386 1.00 44.05 C ATOM 448 CD1 LEU A 201 -15.096 -11.150 -31.812 1.00 42.43 C ATOM 449 CD2 LEU A 201 -13.581 -11.475 -29.905 1.00 3.33 C ATOM 0 H LEU A 201 -12.361 -14.529 -34.164 1.00 44.43 H new ATOM 0 HA LEU A 201 -11.916 -13.103 -32.536 1.00 11.42 H new ATOM 0 HB2 LEU A 201 -14.605 -13.524 -32.424 1.00 24.05 H new ATOM 0 HB3 LEU A 201 -14.130 -13.857 -30.771 1.00 24.05 H new ATOM 0 HG LEU A 201 -12.937 -11.452 -31.955 1.00 44.05 H new ATOM 0 HD11 LEU A 201 -15.045 -10.083 -31.596 1.00 42.43 H new ATOM 0 HD12 LEU A 201 -15.248 -11.297 -32.881 1.00 42.43 H new ATOM 0 HD13 LEU A 201 -15.928 -11.592 -31.263 1.00 42.43 H new ATOM 0 HD21 LEU A 201 -13.565 -10.392 -29.782 1.00 3.33 H new ATOM 0 HD22 LEU A 201 -14.395 -11.895 -29.315 1.00 3.33 H new ATOM 0 HD23 LEU A 201 -12.633 -11.893 -29.565 1.00 3.33 H new ATOM 461 N PHE A 202 -11.123 -13.783 -30.213 1.00 5.10 N ATOM 462 CA PHE A 202 -10.102 -14.215 -29.292 1.00 64.12 C ATOM 463 C PHE A 202 -10.215 -13.383 -28.017 1.00 52.51 C ATOM 464 O PHE A 202 -10.458 -12.175 -28.087 1.00 4.24 O ATOM 465 CB PHE A 202 -8.751 -14.094 -30.007 1.00 64.31 C ATOM 466 CG PHE A 202 -8.082 -12.739 -29.948 1.00 42.43 C ATOM 467 CD1 PHE A 202 -7.216 -12.435 -28.886 1.00 30.41 C ATOM 468 CD2 PHE A 202 -8.305 -11.795 -30.963 1.00 65.05 C ATOM 469 CE1 PHE A 202 -6.547 -11.198 -28.853 1.00 24.05 C ATOM 470 CE2 PHE A 202 -7.637 -10.559 -30.931 1.00 14.43 C ATOM 471 CZ PHE A 202 -6.753 -10.264 -29.883 1.00 35.32 C ATOM 0 H PHE A 202 -11.403 -12.809 -30.101 1.00 5.10 H new ATOM 0 HA PHE A 202 -10.213 -15.256 -28.988 1.00 64.12 H new ATOM 0 HB2 PHE A 202 -8.070 -14.831 -29.580 1.00 64.31 H new ATOM 0 HB3 PHE A 202 -8.893 -14.360 -31.054 1.00 64.31 H new ATOM 0 HD1 PHE A 202 -7.063 -13.152 -28.093 1.00 30.41 H new ATOM 0 HD2 PHE A 202 -8.989 -12.019 -31.768 1.00 65.05 H new ATOM 0 HE1 PHE A 202 -5.877 -10.967 -28.038 1.00 24.05 H new ATOM 0 HE2 PHE A 202 -7.805 -9.835 -31.715 1.00 14.43 H new ATOM 0 HZ PHE A 202 -6.230 -9.319 -29.867 1.00 35.32 H new ATOM 481 N SER A 203 -10.058 -14.006 -26.846 1.00 15.14 N ATOM 482 CA SER A 203 -9.810 -13.280 -25.606 1.00 33.33 C ATOM 483 C SER A 203 -9.317 -14.210 -24.501 1.00 3.11 C ATOM 484 O SER A 203 -9.623 -15.406 -24.517 1.00 43.21 O ATOM 485 CB SER A 203 -11.062 -12.505 -25.163 1.00 34.23 C ATOM 486 OG SER A 203 -12.292 -13.206 -25.325 1.00 54.15 O ATOM 0 H SER A 203 -10.099 -15.019 -26.735 1.00 15.14 H new ATOM 0 HA SER A 203 -9.018 -12.557 -25.800 1.00 33.33 H new ATOM 0 HB2 SER A 203 -10.951 -12.234 -24.113 1.00 34.23 H new ATOM 0 HB3 SER A 203 -11.114 -11.575 -25.728 1.00 34.23 H new ATOM 0 HG SER A 203 -13.011 -12.714 -24.876 1.00 54.15 H new ATOM 492 N ASN A 204 -8.601 -13.652 -23.517 1.00 33.34 N ATOM 493 CA ASN A 204 -8.171 -14.361 -22.308 1.00 23.22 C ATOM 494 C ASN A 204 -8.374 -13.561 -21.031 1.00 63.13 C ATOM 495 O ASN A 204 -8.738 -14.118 -20.000 1.00 34.55 O ATOM 496 CB ASN A 204 -6.704 -14.812 -22.433 1.00 43.13 C ATOM 497 CG ASN A 204 -6.576 -16.322 -22.545 1.00 52.12 C ATOM 498 OD1 ASN A 204 -5.890 -16.956 -21.749 1.00 12.14 O ATOM 499 ND2 ASN A 204 -7.228 -16.941 -23.516 1.00 65.03 N ATOM 0 H ASN A 204 -8.300 -12.678 -23.540 1.00 33.34 H new ATOM 0 HA ASN A 204 -8.814 -15.237 -22.227 1.00 23.22 H new ATOM 0 HB2 ASN A 204 -6.255 -14.345 -23.310 1.00 43.13 H new ATOM 0 HB3 ASN A 204 -6.144 -14.465 -21.565 1.00 43.13 H new ATOM 0 HD21 ASN A 204 -7.163 -17.955 -23.608 1.00 65.03 H new ATOM 0 HD22 ASN A 204 -7.795 -16.404 -24.172 1.00 65.03 H new ATOM 506 N LYS A 205 -8.123 -12.258 -21.100 1.00 32.23 N ATOM 507 CA LYS A 205 -8.305 -11.304 -20.002 1.00 5.31 C ATOM 508 C LYS A 205 -8.392 -9.884 -20.556 1.00 74.31 C ATOM 509 O LYS A 205 -7.401 -9.350 -21.058 1.00 44.22 O ATOM 510 CB LYS A 205 -7.201 -11.431 -18.929 1.00 4.33 C ATOM 511 CG LYS A 205 -5.754 -11.466 -19.462 1.00 24.12 C ATOM 512 CD LYS A 205 -5.030 -12.773 -19.115 1.00 43.10 C ATOM 513 CE LYS A 205 -3.679 -12.939 -19.822 1.00 53.42 C ATOM 514 NZ LYS A 205 -2.748 -11.818 -19.589 1.00 41.42 N1+ ATOM 0 H LYS A 205 -7.774 -11.817 -21.951 1.00 32.23 H new ATOM 0 HA LYS A 205 -9.244 -11.541 -19.501 1.00 5.31 H new ATOM 0 HB2 LYS A 205 -7.294 -10.594 -18.237 1.00 4.33 H new ATOM 0 HB3 LYS A 205 -7.380 -12.340 -18.355 1.00 4.33 H new ATOM 0 HG2 LYS A 205 -5.766 -11.338 -20.544 1.00 24.12 H new ATOM 0 HG3 LYS A 205 -5.197 -10.625 -19.048 1.00 24.12 H new ATOM 0 HD2 LYS A 205 -4.873 -12.815 -18.037 1.00 43.10 H new ATOM 0 HD3 LYS A 205 -5.672 -13.614 -19.377 1.00 43.10 H new ATOM 0 HE2 LYS A 205 -3.212 -13.864 -19.483 1.00 53.42 H new ATOM 0 HE3 LYS A 205 -3.850 -13.042 -20.894 1.00 53.42 H new ATOM 0 HZ1 LYS A 205 -1.857 -11.996 -20.095 1.00 41.42 H new ATOM 0 HZ2 LYS A 205 -3.174 -10.935 -19.937 1.00 41.42 H new ATOM 0 HZ3 LYS A 205 -2.556 -11.732 -18.570 1.00 41.42 H new ATOM 528 N ARG A 206 -9.581 -9.285 -20.544 1.00 72.04 N ATOM 529 CA ARG A 206 -9.838 -7.918 -20.966 1.00 44.22 C ATOM 530 C ARG A 206 -10.898 -7.293 -20.063 1.00 14.02 C ATOM 531 O ARG A 206 -12.072 -7.275 -20.426 1.00 71.11 O ATOM 532 CB ARG A 206 -10.176 -7.921 -22.468 1.00 34.22 C ATOM 533 CG ARG A 206 -11.399 -8.720 -22.975 1.00 44.22 C ATOM 534 CD ARG A 206 -11.517 -8.552 -24.494 1.00 73.05 C ATOM 535 NE ARG A 206 -12.545 -9.431 -25.084 1.00 44.20 N ATOM 536 CZ ARG A 206 -12.678 -9.658 -26.399 1.00 1.34 C ATOM 537 NH1 ARG A 206 -12.053 -8.873 -27.272 1.00 3.11 N1+ ATOM 538 NH2 ARG A 206 -13.399 -10.691 -26.824 1.00 20.34 N ATOM 0 H ARG A 206 -10.424 -9.763 -20.226 1.00 72.04 H new ATOM 0 HA ARG A 206 -8.959 -7.283 -20.854 1.00 44.22 H new ATOM 0 HB2 ARG A 206 -10.315 -6.884 -22.773 1.00 34.22 H new ATOM 0 HB3 ARG A 206 -9.300 -8.294 -22.998 1.00 34.22 H new ATOM 0 HG2 ARG A 206 -11.290 -9.774 -22.721 1.00 44.22 H new ATOM 0 HG3 ARG A 206 -12.307 -8.367 -22.486 1.00 44.22 H new ATOM 0 HD2 ARG A 206 -11.757 -7.514 -24.723 1.00 73.05 H new ATOM 0 HD3 ARG A 206 -10.553 -8.766 -24.955 1.00 73.05 H new ATOM 0 HE ARG A 206 -13.196 -9.896 -24.451 1.00 44.20 H new ATOM 0 HH11 ARG A 206 -11.475 -8.101 -26.941 1.00 3.11 H new ATOM 0 HH12 ARG A 206 -12.152 -9.043 -28.273 1.00 3.11 H new ATOM 0 HH21 ARG A 206 -13.850 -11.310 -26.150 1.00 20.34 H new ATOM 0 HH22 ARG A 206 -13.501 -10.865 -27.824 1.00 20.34 H new ATOM 552 N LYS A 207 -10.549 -6.818 -18.868 1.00 13.45 N ATOM 553 CA LYS A 207 -11.469 -6.150 -17.987 1.00 44.04 C ATOM 554 C LYS A 207 -10.678 -5.093 -17.229 1.00 62.01 C ATOM 555 O LYS A 207 -9.830 -5.455 -16.409 1.00 42.43 O ATOM 556 CB LYS A 207 -12.111 -7.214 -17.092 1.00 24.21 C ATOM 557 CG LYS A 207 -12.903 -6.509 -16.006 1.00 43.43 C ATOM 558 CD LYS A 207 -13.834 -7.468 -15.249 1.00 14.11 C ATOM 559 CE LYS A 207 -15.070 -6.747 -14.697 1.00 12.52 C ATOM 560 NZ LYS A 207 -15.921 -6.197 -15.777 1.00 13.51 N1+ ATOM 0 H LYS A 207 -9.604 -6.894 -18.492 1.00 13.45 H new ATOM 0 HA LYS A 207 -12.282 -5.639 -18.503 1.00 44.04 H new ATOM 0 HB2 LYS A 207 -12.764 -7.860 -17.679 1.00 24.21 H new ATOM 0 HB3 LYS A 207 -11.345 -7.851 -16.650 1.00 24.21 H new ATOM 0 HG2 LYS A 207 -12.214 -6.043 -15.301 1.00 43.43 H new ATOM 0 HG3 LYS A 207 -13.494 -5.708 -16.451 1.00 43.43 H new ATOM 0 HD2 LYS A 207 -14.149 -8.270 -15.916 1.00 14.11 H new ATOM 0 HD3 LYS A 207 -13.288 -7.932 -14.428 1.00 14.11 H new ATOM 0 HE2 LYS A 207 -15.655 -7.441 -14.093 1.00 12.52 H new ATOM 0 HE3 LYS A 207 -14.754 -5.939 -14.038 1.00 12.52 H new ATOM 0 HZ1 LYS A 207 -16.903 -6.122 -15.441 1.00 13.51 H new ATOM 0 HZ2 LYS A 207 -15.574 -5.254 -16.046 1.00 13.51 H new ATOM 0 HZ3 LYS A 207 -15.885 -6.828 -16.603 1.00 13.51 H new ATOM 574 N ILE A 208 -10.937 -3.814 -17.504 1.00 1.30 N ATOM 575 CA ILE A 208 -10.247 -2.689 -16.892 1.00 11.50 C ATOM 576 C ILE A 208 -11.287 -1.657 -16.437 1.00 21.22 C ATOM 577 O ILE A 208 -12.274 -1.389 -17.131 1.00 5.12 O ATOM 578 CB ILE A 208 -9.174 -2.108 -17.854 1.00 32.34 C ATOM 579 CG1 ILE A 208 -8.195 -3.162 -18.443 1.00 21.11 C ATOM 580 CG2 ILE A 208 -8.324 -1.072 -17.105 1.00 34.12 C ATOM 581 CD1 ILE A 208 -8.630 -3.738 -19.798 1.00 64.43 C ATOM 0 H ILE A 208 -11.650 -3.530 -18.175 1.00 1.30 H new ATOM 0 HA ILE A 208 -9.698 -3.014 -16.008 1.00 11.50 H new ATOM 0 HB ILE A 208 -9.736 -1.678 -18.684 1.00 32.34 H new ATOM 0 HG12 ILE A 208 -7.211 -2.706 -18.554 1.00 21.11 H new ATOM 0 HG13 ILE A 208 -8.088 -3.980 -17.731 1.00 21.11 H new ATOM 0 HG21 ILE A 208 -7.571 -0.664 -17.779 1.00 34.12 H new ATOM 0 HG22 ILE A 208 -8.965 -0.267 -16.746 1.00 34.12 H new ATOM 0 HG23 ILE A 208 -7.832 -1.549 -16.257 1.00 34.12 H new ATOM 0 HD11 ILE A 208 -7.892 -4.465 -20.138 1.00 64.43 H new ATOM 0 HD12 ILE A 208 -9.599 -4.226 -19.692 1.00 64.43 H new ATOM 0 HD13 ILE A 208 -8.708 -2.932 -20.528 1.00 64.43 H new ATOM 593 N HIS A 209 -11.079 -1.115 -15.237 1.00 41.32 N ATOM 594 CA HIS A 209 -11.845 -0.045 -14.618 1.00 63.01 C ATOM 595 C HIS A 209 -11.640 1.271 -15.379 1.00 55.52 C ATOM 596 O HIS A 209 -10.840 1.364 -16.306 1.00 14.34 O ATOM 597 CB HIS A 209 -11.432 0.106 -13.135 1.00 3.24 C ATOM 598 CG HIS A 209 -12.411 -0.492 -12.156 1.00 14.44 C ATOM 599 ND1 HIS A 209 -12.679 -1.833 -11.973 1.00 43.42 N ATOM 600 CD2 HIS A 209 -13.168 0.212 -11.255 1.00 41.34 C ATOM 601 CE1 HIS A 209 -13.588 -1.930 -10.988 1.00 35.43 C ATOM 602 NE2 HIS A 209 -13.917 -0.711 -10.516 1.00 2.45 N ATOM 0 H HIS A 209 -10.320 -1.436 -14.636 1.00 41.32 H new ATOM 0 HA HIS A 209 -12.905 -0.296 -14.660 1.00 63.01 H new ATOM 0 HB2 HIS A 209 -10.459 -0.364 -12.991 1.00 3.24 H new ATOM 0 HB3 HIS A 209 -11.311 1.166 -12.909 1.00 3.24 H new ATOM 0 HD2 HIS A 209 -13.183 1.285 -11.137 1.00 41.34 H new ATOM 0 HE1 HIS A 209 -14.000 -2.860 -10.624 1.00 35.43 H new ATOM 0 HE2 HIS A 209 -14.580 -0.503 -9.769 1.00 2.45 H new ATOM 610 N LEU A 210 -12.353 2.317 -14.964 1.00 24.30 N ATOM 611 CA LEU A 210 -12.149 3.680 -15.442 1.00 74.33 C ATOM 612 C LEU A 210 -10.765 4.197 -15.046 1.00 64.15 C ATOM 613 O LEU A 210 -10.032 4.730 -15.878 1.00 4.22 O ATOM 614 CB LEU A 210 -13.288 4.552 -14.893 1.00 35.43 C ATOM 615 CG LEU A 210 -13.465 5.892 -15.627 1.00 23.31 C ATOM 616 CD1 LEU A 210 -14.916 6.341 -15.483 1.00 42.23 C ATOM 617 CD2 LEU A 210 -12.579 7.012 -15.077 1.00 61.45 C ATOM 0 H LEU A 210 -13.101 2.238 -14.275 1.00 24.30 H new ATOM 0 HA LEU A 210 -12.176 3.713 -16.531 1.00 74.33 H new ATOM 0 HB2 LEU A 210 -14.221 3.992 -14.953 1.00 35.43 H new ATOM 0 HB3 LEU A 210 -13.102 4.750 -13.837 1.00 35.43 H new ATOM 0 HG LEU A 210 -13.179 5.719 -16.664 1.00 23.31 H new ATOM 0 HD11 LEU A 210 -15.056 7.291 -15.999 1.00 42.23 H new ATOM 0 HD12 LEU A 210 -15.574 5.590 -15.920 1.00 42.23 H new ATOM 0 HD13 LEU A 210 -15.156 6.463 -14.427 1.00 42.23 H new ATOM 0 HD21 LEU A 210 -12.757 7.927 -15.642 1.00 61.45 H new ATOM 0 HD22 LEU A 210 -12.817 7.182 -14.027 1.00 61.45 H new ATOM 0 HD23 LEU A 210 -11.531 6.726 -15.170 1.00 61.45 H new ATOM 629 N SER A 211 -10.419 4.031 -13.771 1.00 3.02 N ATOM 630 CA SER A 211 -9.243 4.651 -13.150 1.00 64.31 C ATOM 631 C SER A 211 -8.177 3.634 -12.731 1.00 54.04 C ATOM 632 O SER A 211 -7.028 4.011 -12.521 1.00 2.11 O ATOM 633 CB SER A 211 -9.701 5.461 -11.928 1.00 73.53 C ATOM 634 OG SER A 211 -10.846 6.239 -12.234 1.00 23.32 O ATOM 0 H SER A 211 -10.956 3.452 -13.126 1.00 3.02 H new ATOM 0 HA SER A 211 -8.777 5.296 -13.895 1.00 64.31 H new ATOM 0 HB2 SER A 211 -9.926 4.785 -11.103 1.00 73.53 H new ATOM 0 HB3 SER A 211 -8.893 6.112 -11.595 1.00 73.53 H new ATOM 0 HG SER A 211 -11.120 6.744 -11.440 1.00 23.32 H new ATOM 640 N GLU A 212 -8.555 2.356 -12.583 1.00 61.43 N ATOM 641 CA GLU A 212 -7.784 1.172 -12.172 1.00 71.32 C ATOM 642 C GLU A 212 -6.832 1.300 -10.952 1.00 51.54 C ATOM 643 O GLU A 212 -6.166 0.331 -10.574 1.00 40.14 O ATOM 644 CB GLU A 212 -7.148 0.498 -13.402 1.00 52.21 C ATOM 645 CG GLU A 212 -6.263 1.394 -14.278 1.00 41.53 C ATOM 646 CD GLU A 212 -5.581 0.619 -15.416 1.00 31.35 C ATOM 647 OE1 GLU A 212 -4.696 -0.232 -15.153 1.00 24.25 O1- ATOM 648 OE2 GLU A 212 -5.893 0.860 -16.599 1.00 43.43 O ATOM 0 H GLU A 212 -9.523 2.097 -12.771 1.00 61.43 H new ATOM 0 HA GLU A 212 -8.529 0.505 -11.738 1.00 71.32 H new ATOM 0 HB2 GLU A 212 -6.550 -0.346 -13.060 1.00 52.21 H new ATOM 0 HB3 GLU A 212 -7.947 0.092 -14.023 1.00 52.21 H new ATOM 0 HG2 GLU A 212 -6.869 2.195 -14.701 1.00 41.53 H new ATOM 0 HG3 GLU A 212 -5.501 1.865 -13.657 1.00 41.53 H new ATOM 655 N LEU A 213 -6.791 2.457 -10.298 1.00 24.44 N ATOM 656 CA LEU A 213 -6.000 2.814 -9.122 1.00 44.23 C ATOM 657 C LEU A 213 -6.863 2.741 -7.862 1.00 32.50 C ATOM 658 O LEU A 213 -7.681 3.633 -7.629 1.00 52.31 O ATOM 659 CB LEU A 213 -5.435 4.232 -9.283 1.00 53.53 C ATOM 660 CG LEU A 213 -4.065 4.187 -9.974 1.00 40.33 C ATOM 661 CD1 LEU A 213 -3.962 5.295 -11.000 1.00 1.01 C ATOM 662 CD2 LEU A 213 -2.921 4.268 -8.955 1.00 32.21 C ATOM 0 H LEU A 213 -7.364 3.243 -10.606 1.00 24.44 H new ATOM 0 HA LEU A 213 -5.175 2.108 -9.026 1.00 44.23 H new ATOM 0 HB2 LEU A 213 -6.125 4.841 -9.868 1.00 53.53 H new ATOM 0 HB3 LEU A 213 -5.341 4.706 -8.306 1.00 53.53 H new ATOM 0 HG LEU A 213 -3.972 3.230 -10.487 1.00 40.33 H new ATOM 0 HD11 LEU A 213 -2.986 5.253 -11.484 1.00 1.01 H new ATOM 0 HD12 LEU A 213 -4.744 5.171 -11.749 1.00 1.01 H new ATOM 0 HD13 LEU A 213 -4.082 6.260 -10.507 1.00 1.01 H new ATOM 0 HD21 LEU A 213 -1.965 4.234 -9.478 1.00 32.21 H new ATOM 0 HD22 LEU A 213 -2.996 5.201 -8.397 1.00 32.21 H new ATOM 0 HD23 LEU A 213 -2.988 3.427 -8.265 1.00 32.21 H new ATOM 674 N MET A 214 -6.638 1.711 -7.040 1.00 0.24 N ATOM 675 CA MET A 214 -7.239 1.414 -5.754 1.00 32.05 C ATOM 676 C MET A 214 -8.761 1.553 -5.755 1.00 23.33 C ATOM 677 O MET A 214 -9.406 1.550 -6.804 1.00 53.34 O ATOM 678 CB MET A 214 -6.475 2.117 -4.614 1.00 13.22 C ATOM 679 CG MET A 214 -6.620 3.641 -4.567 1.00 41.51 C ATOM 680 SD MET A 214 -5.912 4.387 -3.074 1.00 21.51 S ATOM 681 CE MET A 214 -4.139 4.087 -3.319 1.00 63.42 C ATOM 0 H MET A 214 -5.957 0.995 -7.295 1.00 0.24 H new ATOM 0 HA MET A 214 -7.117 0.351 -5.545 1.00 32.05 H new ATOM 0 HB2 MET A 214 -6.817 1.707 -3.664 1.00 13.22 H new ATOM 0 HB3 MET A 214 -5.417 1.872 -4.704 1.00 13.22 H new ATOM 0 HG2 MET A 214 -6.136 4.072 -5.444 1.00 41.51 H new ATOM 0 HG3 MET A 214 -7.677 3.900 -4.627 1.00 41.51 H new ATOM 0 HE1 MET A 214 -3.575 4.570 -2.522 1.00 63.42 H new ATOM 0 HE2 MET A 214 -3.946 3.014 -3.302 1.00 63.42 H new ATOM 0 HE3 MET A 214 -3.830 4.496 -4.281 1.00 63.42 H new ATOM 691 N LEU A 215 -9.320 1.485 -4.559 1.00 34.21 N ATOM 692 CA LEU A 215 -10.701 1.790 -4.173 1.00 73.12 C ATOM 693 C LEU A 215 -10.814 1.720 -2.648 1.00 63.53 C ATOM 694 O LEU A 215 -9.939 1.145 -1.992 1.00 4.22 O ATOM 695 CB LEU A 215 -11.709 0.811 -4.802 1.00 11.32 C ATOM 696 CG LEU A 215 -11.624 -0.626 -4.244 1.00 5.51 C ATOM 697 CD1 LEU A 215 -12.782 -0.931 -3.290 1.00 20.01 C ATOM 698 CD2 LEU A 215 -11.605 -1.642 -5.387 1.00 75.40 C ATOM 0 H LEU A 215 -8.772 1.187 -3.752 1.00 34.21 H new ATOM 0 HA LEU A 215 -10.941 2.789 -4.537 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -12.718 1.192 -4.642 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -11.546 0.781 -5.879 1.00 11.32 H new ATOM 0 HG LEU A 215 -10.695 -0.704 -3.679 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -12.688 -1.951 -2.918 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -12.756 -0.235 -2.452 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -13.728 -0.824 -3.820 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -11.545 -2.650 -4.977 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -12.517 -1.544 -5.976 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -10.740 -1.457 -6.024 1.00 75.40 H new ATOM 710 N GLU A 216 -11.932 2.187 -2.096 1.00 42.34 N ATOM 711 CA GLU A 216 -12.136 2.295 -0.651 1.00 21.22 C ATOM 712 C GLU A 216 -13.573 1.953 -0.201 1.00 61.20 C ATOM 713 O GLU A 216 -14.061 2.461 0.807 1.00 11.33 O ATOM 714 CB GLU A 216 -11.692 3.701 -0.187 1.00 25.21 C ATOM 715 CG GLU A 216 -12.420 4.823 -0.946 1.00 54.02 C ATOM 716 CD GLU A 216 -12.550 6.109 -0.128 1.00 1.13 C ATOM 717 OE1 GLU A 216 -11.577 6.886 -0.115 1.00 44.35 O1- ATOM 718 OE2 GLU A 216 -13.637 6.275 0.473 1.00 13.22 O ATOM 0 H GLU A 216 -12.731 2.505 -2.645 1.00 42.34 H new ATOM 0 HA GLU A 216 -11.517 1.541 -0.165 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -11.882 3.805 0.881 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -10.617 3.806 -0.331 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -11.882 5.039 -1.869 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -13.414 4.477 -1.230 1.00 54.02 H new ATOM 725 N LYS A 217 -14.274 1.087 -0.937 1.00 71.23 N ATOM 726 CA LYS A 217 -15.615 0.618 -0.597 1.00 24.12 C ATOM 727 C LYS A 217 -15.593 -0.897 -0.761 1.00 41.53 C ATOM 728 O LYS A 217 -15.675 -1.401 -1.884 1.00 65.12 O ATOM 729 CB LYS A 217 -16.651 1.340 -1.475 1.00 63.53 C ATOM 730 CG LYS A 217 -18.091 1.130 -0.977 1.00 33.31 C ATOM 731 CD LYS A 217 -19.114 1.789 -1.917 1.00 21.23 C ATOM 732 CE LYS A 217 -19.329 0.933 -3.176 1.00 11.23 C ATOM 733 NZ LYS A 217 -19.687 1.744 -4.360 1.00 34.23 N1+ ATOM 0 H LYS A 217 -13.916 0.685 -1.803 1.00 71.23 H new ATOM 0 HA LYS A 217 -15.906 0.847 0.428 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -16.428 2.407 -1.493 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -16.568 0.980 -2.500 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -18.299 0.063 -0.902 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -18.195 1.546 0.025 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -20.062 1.921 -1.395 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -18.766 2.782 -2.202 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -18.420 0.369 -3.387 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -20.118 0.206 -2.986 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -19.821 1.120 -5.181 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -20.569 2.262 -4.172 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -18.923 2.421 -4.561 1.00 34.23 H new ATOM 747 N CYS A 218 -15.336 -1.623 0.326 1.00 72.34 N ATOM 748 CA CYS A 218 -15.034 -3.038 0.312 1.00 52.25 C ATOM 749 C CYS A 218 -15.936 -3.769 1.325 1.00 53.24 C ATOM 750 O CYS A 218 -16.191 -3.244 2.411 1.00 3.44 O ATOM 751 CB CYS A 218 -13.549 -3.178 0.690 1.00 41.44 C ATOM 752 SG CYS A 218 -12.470 -3.269 -0.763 1.00 24.22 S ATOM 0 H CYS A 218 -15.334 -1.223 1.264 1.00 72.34 H new ATOM 0 HA CYS A 218 -15.217 -3.481 -0.667 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -13.253 -2.329 1.306 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -13.414 -4.074 1.296 1.00 41.44 H new ATOM 0 HG CYS A 218 -12.034 -4.485 -0.904 1.00 24.22 H new ATOM 758 N PRO A 219 -16.370 -5.009 1.035 1.00 2.24 N ATOM 759 CA PRO A 219 -17.082 -5.885 1.973 1.00 23.03 C ATOM 760 C PRO A 219 -16.162 -6.519 3.031 1.00 53.55 C ATOM 761 O PRO A 219 -16.609 -7.300 3.878 1.00 51.44 O ATOM 762 CB PRO A 219 -17.763 -6.940 1.106 1.00 13.32 C ATOM 763 CG PRO A 219 -16.836 -7.060 -0.093 1.00 34.20 C ATOM 764 CD PRO A 219 -16.254 -5.661 -0.261 1.00 63.34 C ATOM 0 HA PRO A 219 -17.801 -5.313 2.560 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -17.864 -7.889 1.633 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -18.766 -6.631 0.810 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -16.053 -7.798 0.082 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -17.378 -7.375 -0.985 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -15.213 -5.709 -0.580 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -16.796 -5.104 -1.026 1.00 63.34 H new ATOM 772 N PHE A 220 -14.857 -6.281 2.943 1.00 52.33 N ATOM 773 CA PHE A 220 -13.861 -6.625 3.942 1.00 13.33 C ATOM 774 C PHE A 220 -13.251 -5.329 4.489 1.00 31.11 C ATOM 775 O PHE A 220 -13.231 -4.325 3.769 1.00 61.21 O ATOM 776 CB PHE A 220 -12.788 -7.575 3.397 1.00 12.53 C ATOM 777 CG PHE A 220 -12.624 -7.506 1.905 1.00 53.04 C ATOM 778 CD1 PHE A 220 -11.728 -6.611 1.301 1.00 43.24 C ATOM 779 CD2 PHE A 220 -13.494 -8.281 1.134 1.00 11.32 C ATOM 780 CE1 PHE A 220 -11.697 -6.503 -0.098 1.00 24.41 C ATOM 781 CE2 PHE A 220 -13.455 -8.186 -0.265 1.00 35.04 C ATOM 782 CZ PHE A 220 -12.571 -7.282 -0.877 1.00 24.35 C ATOM 0 H PHE A 220 -14.449 -5.819 2.130 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.346 -7.170 4.751 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -11.834 -7.342 3.870 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -13.042 -8.597 3.679 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -11.067 -6.010 1.908 1.00 43.24 H new ATOM 0 HD2 PHE A 220 -14.193 -8.950 1.613 1.00 11.32 H new ATOM 0 HE1 PHE A 220 -11.005 -5.824 -0.574 1.00 24.41 H new ATOM 0 HE2 PHE A 220 -14.102 -8.805 -0.869 1.00 35.04 H new ATOM 0 HZ PHE A 220 -12.563 -7.185 -1.953 1.00 24.35 H new ATOM 792 N PRO A 221 -12.724 -5.358 5.721 1.00 52.42 N ATOM 793 CA PRO A 221 -11.889 -4.312 6.298 1.00 64.02 C ATOM 794 C PRO A 221 -10.485 -4.371 5.671 1.00 52.52 C ATOM 795 O PRO A 221 -10.266 -4.989 4.627 1.00 61.24 O ATOM 796 CB PRO A 221 -11.906 -4.617 7.802 1.00 3.32 C ATOM 797 CG PRO A 221 -11.924 -6.142 7.819 1.00 31.34 C ATOM 798 CD PRO A 221 -12.820 -6.486 6.637 1.00 13.23 C ATOM 0 HA PRO A 221 -12.238 -3.297 6.110 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -11.029 -4.214 8.309 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -12.782 -4.194 8.294 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -10.924 -6.559 7.702 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -12.324 -6.531 8.755 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -12.495 -7.408 6.156 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -13.850 -6.641 6.960 1.00 13.23 H new ATOM 806 N ALA A 222 -9.514 -3.712 6.301 1.00 15.10 N ATOM 807 CA ALA A 222 -8.099 -3.759 5.938 1.00 33.50 C ATOM 808 C ALA A 222 -7.264 -4.420 7.044 1.00 45.31 C ATOM 809 O ALA A 222 -6.193 -3.932 7.389 1.00 5.14 O ATOM 810 CB ALA A 222 -7.628 -2.343 5.579 1.00 54.51 C ATOM 0 H ALA A 222 -9.697 -3.111 7.105 1.00 15.10 H new ATOM 0 HA ALA A 222 -7.958 -4.387 5.058 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -6.573 -2.369 5.307 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -8.211 -1.968 4.738 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -7.765 -1.685 6.437 1.00 54.51 H new ATOM 816 N GLY A 223 -7.749 -5.531 7.609 1.00 72.54 N ATOM 817 CA GLY A 223 -7.040 -6.248 8.669 1.00 54.34 C ATOM 818 C GLY A 223 -7.547 -7.676 8.864 1.00 13.20 C ATOM 819 O GLY A 223 -7.667 -8.130 10.003 1.00 13.51 O ATOM 0 H GLY A 223 -8.639 -5.955 7.345 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -5.976 -6.275 8.434 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -7.146 -5.699 9.605 1.00 54.34 H new ATOM 823 N SER A 224 -7.930 -8.354 7.783 1.00 12.10 N ATOM 824 CA SER A 224 -8.499 -9.699 7.805 1.00 32.34 C ATOM 825 C SER A 224 -7.802 -10.553 6.742 1.00 62.33 C ATOM 826 O SER A 224 -7.382 -10.010 5.720 1.00 52.54 O ATOM 827 CB SER A 224 -10.005 -9.592 7.531 1.00 2.20 C ATOM 828 OG SER A 224 -10.744 -9.317 8.711 1.00 61.34 O ATOM 0 H SER A 224 -7.850 -7.971 6.841 1.00 12.10 H new ATOM 0 HA SER A 224 -8.350 -10.172 8.775 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.185 -8.804 6.799 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.360 -10.524 7.090 1.00 2.20 H new ATOM 0 HG SER A 224 -11.697 -9.255 8.493 1.00 61.34 H new ATOM 834 N ASP A 225 -7.750 -11.877 6.935 1.00 61.25 N ATOM 835 CA ASP A 225 -7.196 -12.834 5.964 1.00 53.22 C ATOM 836 C ASP A 225 -7.889 -12.633 4.617 1.00 11.51 C ATOM 837 O ASP A 225 -7.254 -12.335 3.606 1.00 20.21 O ATOM 838 CB ASP A 225 -7.383 -14.279 6.475 1.00 65.42 C ATOM 839 CG ASP A 225 -6.707 -15.362 5.615 1.00 1.12 C ATOM 840 OD1 ASP A 225 -6.252 -15.100 4.486 1.00 40.32 O ATOM 841 OD2 ASP A 225 -6.626 -16.528 6.078 1.00 54.24 O1- ATOM 0 H ASP A 225 -8.097 -12.323 7.784 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.127 -12.661 5.841 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -6.991 -14.344 7.490 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -8.450 -14.494 6.532 1.00 65.42 H new ATOM 846 N LEU A 226 -9.226 -12.678 4.632 1.00 65.13 N ATOM 847 CA LEU A 226 -10.048 -12.514 3.439 1.00 13.44 C ATOM 848 C LEU A 226 -9.803 -11.174 2.750 1.00 72.23 C ATOM 849 O LEU A 226 -9.925 -11.102 1.527 1.00 44.25 O ATOM 850 CB LEU A 226 -11.536 -12.597 3.803 1.00 21.33 C ATOM 851 CG LEU A 226 -12.014 -13.938 4.377 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.517 -13.816 4.628 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.731 -15.128 3.453 1.00 31.03 C ATOM 0 H LEU A 226 -9.768 -12.831 5.483 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.771 -13.317 2.757 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.756 -11.814 4.529 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -12.121 -12.377 2.910 1.00 21.33 H new ATOM 0 HG LEU A 226 -11.463 -14.138 5.296 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.895 -14.753 5.038 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -13.703 -13.009 5.337 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -14.026 -13.599 3.689 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -12.094 -16.044 3.918 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -12.240 -14.978 2.501 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -10.658 -15.208 3.282 1.00 31.03 H new ATOM 865 N ALA A 227 -9.478 -10.126 3.516 1.00 33.13 N ATOM 866 CA ALA A 227 -9.147 -8.828 2.957 1.00 31.51 C ATOM 867 C ALA A 227 -7.842 -8.940 2.187 1.00 61.32 C ATOM 868 O ALA A 227 -7.819 -8.601 1.008 1.00 1.22 O ATOM 869 CB ALA A 227 -9.018 -7.761 4.052 1.00 20.11 C ATOM 0 H ALA A 227 -9.440 -10.162 4.535 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.953 -8.521 2.290 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -8.770 -6.802 3.598 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -9.963 -7.675 4.589 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.230 -8.048 4.748 1.00 20.11 H new ATOM 875 N GLN A 228 -6.777 -9.403 2.850 1.00 2.11 N ATOM 876 CA GLN A 228 -5.427 -9.495 2.307 1.00 62.54 C ATOM 877 C GLN A 228 -5.432 -10.306 1.012 1.00 60.13 C ATOM 878 O GLN A 228 -4.857 -9.868 0.015 1.00 43.54 O ATOM 879 CB GLN A 228 -4.480 -10.117 3.351 1.00 74.33 C ATOM 880 CG GLN A 228 -4.247 -9.243 4.597 1.00 13.33 C ATOM 881 CD GLN A 228 -3.350 -8.041 4.311 1.00 64.54 C ATOM 882 OE1 GLN A 228 -3.771 -7.073 3.683 1.00 5.12 O ATOM 883 NE2 GLN A 228 -2.105 -8.070 4.757 1.00 5.01 N ATOM 0 H GLN A 228 -6.839 -9.734 3.813 1.00 2.11 H new ATOM 0 HA GLN A 228 -5.065 -8.493 2.074 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.887 -11.078 3.667 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.519 -10.318 2.878 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -5.207 -8.893 4.976 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -3.796 -9.849 5.383 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -1.768 -8.880 5.277 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -1.482 -7.282 4.581 1.00 5.01 H new ATOM 892 N LYS A 229 -6.125 -11.453 0.995 1.00 14.24 N ATOM 893 CA LYS A 229 -6.248 -12.277 -0.207 1.00 61.11 C ATOM 894 C LYS A 229 -6.760 -11.456 -1.387 1.00 50.14 C ATOM 895 O LYS A 229 -6.169 -11.515 -2.465 1.00 20.33 O ATOM 896 CB LYS A 229 -7.154 -13.491 0.042 1.00 43.15 C ATOM 897 CG LYS A 229 -6.545 -14.506 1.022 1.00 65.30 C ATOM 898 CD LYS A 229 -7.370 -15.798 1.100 1.00 2.11 C ATOM 899 CE LYS A 229 -7.073 -16.653 -0.136 1.00 22.04 C ATOM 900 NZ LYS A 229 -7.982 -17.801 -0.295 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.611 -11.830 1.809 1.00 14.24 H new ATOM 0 HA LYS A 229 -5.253 -12.644 -0.456 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -8.112 -13.148 0.432 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.356 -13.987 -0.907 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -5.528 -14.744 0.711 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -6.479 -14.058 2.013 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -7.123 -16.349 2.007 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -8.433 -15.564 1.149 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -7.136 -16.025 -1.025 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -6.048 -17.018 -0.076 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -7.723 -18.333 -1.150 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -7.906 -18.422 0.536 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -8.960 -17.459 -0.383 1.00 4.21 H new ATOM 914 N TRP A 230 -7.835 -10.685 -1.209 1.00 13.20 N ATOM 915 CA TRP A 230 -8.384 -9.911 -2.311 1.00 72.33 C ATOM 916 C TRP A 230 -7.510 -8.697 -2.630 1.00 31.00 C ATOM 917 O TRP A 230 -7.310 -8.383 -3.802 1.00 23.12 O ATOM 918 CB TRP A 230 -9.829 -9.517 -2.018 1.00 34.15 C ATOM 919 CG TRP A 230 -10.575 -9.130 -3.258 1.00 61.20 C ATOM 920 CD1 TRP A 230 -11.105 -9.990 -4.157 1.00 14.12 C ATOM 921 CD2 TRP A 230 -10.829 -7.802 -3.788 1.00 53.24 C ATOM 922 NE1 TRP A 230 -11.721 -9.285 -5.169 1.00 24.03 N ATOM 923 CE2 TRP A 230 -11.611 -7.927 -4.974 1.00 13.24 C ATOM 924 CE3 TRP A 230 -10.499 -6.502 -3.362 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -12.083 -6.814 -5.681 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -11.012 -5.376 -4.037 1.00 33.44 C ATOM 927 CH2 TRP A 230 -11.789 -5.529 -5.202 1.00 4.35 C ATOM 0 H TRP A 230 -8.332 -10.584 -0.324 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.387 -10.537 -3.203 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.340 -10.350 -1.535 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -9.841 -8.684 -1.315 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.053 -11.067 -4.092 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -12.198 -9.715 -5.962 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -9.848 -6.366 -2.511 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -12.665 -6.943 -6.582 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -10.807 -4.386 -3.657 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -12.157 -4.659 -5.725 1.00 4.35 H new ATOM 938 N HIS A 231 -6.971 -8.033 -1.602 1.00 41.52 N ATOM 939 CA HIS A 231 -6.034 -6.913 -1.683 1.00 44.11 C ATOM 940 C HIS A 231 -4.876 -7.220 -2.633 1.00 62.42 C ATOM 941 O HIS A 231 -4.487 -6.346 -3.401 1.00 2.10 O ATOM 942 CB HIS A 231 -5.500 -6.552 -0.284 1.00 73.30 C ATOM 943 CG HIS A 231 -5.324 -5.076 -0.027 1.00 1.23 C ATOM 944 ND1 HIS A 231 -5.781 -4.410 1.089 1.00 54.43 N ATOM 945 CD2 HIS A 231 -4.687 -4.165 -0.825 1.00 54.44 C ATOM 946 CE1 HIS A 231 -5.422 -3.123 0.976 1.00 44.02 C ATOM 947 NE2 HIS A 231 -4.799 -2.916 -0.197 1.00 72.12 N ATOM 0 H HIS A 231 -7.191 -8.279 -0.637 1.00 41.52 H new ATOM 0 HA HIS A 231 -6.576 -6.056 -2.083 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -6.182 -6.956 0.464 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -4.540 -7.047 -0.140 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -4.191 -4.369 -1.762 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -5.607 -2.362 1.720 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -4.471 -2.022 -0.561 1.00 72.12 H new ATOM 955 N LEU A 232 -4.380 -8.461 -2.623 1.00 43.21 N ATOM 956 CA LEU A 232 -3.327 -8.945 -3.511 1.00 54.14 C ATOM 957 C LEU A 232 -3.658 -8.643 -4.978 1.00 63.01 C ATOM 958 O LEU A 232 -2.826 -8.115 -5.711 1.00 33.14 O ATOM 959 CB LEU A 232 -3.124 -10.458 -3.282 1.00 63.34 C ATOM 960 CG LEU A 232 -1.657 -10.851 -3.056 1.00 62.14 C ATOM 961 CD1 LEU A 232 -1.582 -12.339 -2.687 1.00 23.25 C ATOM 962 CD2 LEU A 232 -0.781 -10.602 -4.287 1.00 64.32 C ATOM 0 H LEU A 232 -4.713 -9.176 -1.976 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.398 -8.424 -3.281 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.712 -10.769 -2.419 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -3.509 -11.003 -4.144 1.00 63.34 H new ATOM 0 HG LEU A 232 -1.277 -10.225 -2.249 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -0.542 -12.622 -2.526 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -2.152 -12.517 -1.775 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -1.999 -12.936 -3.498 1.00 23.25 H new ATOM 0 HD21 LEU A 232 0.245 -10.898 -4.069 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -1.157 -11.188 -5.126 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -0.806 -9.543 -4.543 1.00 64.32 H new ATOM 974 N ILE A 233 -4.890 -8.954 -5.388 1.00 20.31 N ATOM 975 CA ILE A 233 -5.398 -8.822 -6.754 1.00 12.23 C ATOM 976 C ILE A 233 -5.912 -7.389 -7.016 1.00 33.40 C ATOM 977 O ILE A 233 -6.325 -7.070 -8.133 1.00 73.01 O ATOM 978 CB ILE A 233 -6.502 -9.894 -6.985 1.00 31.24 C ATOM 979 CG1 ILE A 233 -6.144 -11.300 -6.439 1.00 41.21 C ATOM 980 CG2 ILE A 233 -6.903 -10.049 -8.467 1.00 11.11 C ATOM 981 CD1 ILE A 233 -4.854 -11.910 -7.003 1.00 1.50 C ATOM 0 H ILE A 233 -5.592 -9.322 -4.746 1.00 20.31 H new ATOM 0 HA ILE A 233 -4.592 -8.994 -7.467 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.344 -9.500 -6.416 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -6.054 -11.239 -5.354 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -6.971 -11.977 -6.653 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -7.676 -10.812 -8.557 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -7.285 -9.099 -8.842 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -6.031 -10.345 -9.051 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -4.692 -12.892 -6.559 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -4.942 -12.010 -8.085 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -4.011 -11.261 -6.766 1.00 1.50 H new ATOM 993 N LYS A 234 -5.952 -6.518 -6.004 1.00 35.12 N ATOM 994 CA LYS A 234 -6.509 -5.167 -6.098 1.00 65.43 C ATOM 995 C LYS A 234 -5.501 -4.252 -6.811 1.00 71.04 C ATOM 996 O LYS A 234 -4.371 -4.654 -7.101 1.00 11.24 O ATOM 997 CB LYS A 234 -6.880 -4.729 -4.669 1.00 41.01 C ATOM 998 CG LYS A 234 -8.026 -3.711 -4.510 1.00 40.11 C ATOM 999 CD LYS A 234 -7.624 -2.255 -4.249 1.00 52.01 C ATOM 1000 CE LYS A 234 -6.671 -2.083 -3.063 1.00 24.13 C ATOM 1001 NZ LYS A 234 -7.225 -2.488 -1.752 1.00 64.53 N1+ ATOM 0 H LYS A 234 -5.590 -6.738 -5.076 1.00 35.12 H new ATOM 0 HA LYS A 234 -7.416 -5.118 -6.700 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -7.142 -5.622 -4.101 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -5.989 -4.307 -4.205 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -8.634 -3.739 -5.415 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -8.662 -4.041 -3.688 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -7.152 -1.852 -5.145 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -8.523 -1.666 -4.070 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -5.769 -2.664 -3.254 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -6.371 -1.037 -3.006 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -6.489 -2.401 -1.022 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -8.028 -1.873 -1.510 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -7.548 -3.475 -1.802 1.00 64.53 H new ATOM 1015 N GLN A 235 -5.900 -3.007 -7.094 1.00 72.02 N ATOM 1016 CA GLN A 235 -5.328 -2.158 -8.109 1.00 11.35 C ATOM 1017 C GLN A 235 -5.241 -2.920 -9.444 1.00 33.24 C ATOM 1018 O GLN A 235 -5.842 -3.975 -9.659 1.00 30.21 O ATOM 1019 CB GLN A 235 -3.985 -1.563 -7.653 1.00 22.32 C ATOM 1020 CG GLN A 235 -3.904 -0.742 -6.359 1.00 50.13 C ATOM 1021 CD GLN A 235 -3.744 -1.529 -5.058 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -4.279 -1.101 -4.044 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -3.031 -2.646 -5.022 1.00 43.20 N ATOM 0 H GLN A 235 -6.665 -2.557 -6.592 1.00 72.02 H new ATOM 0 HA GLN A 235 -5.983 -1.302 -8.273 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -3.282 -2.390 -7.556 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -3.621 -0.929 -8.461 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -3.065 -0.052 -6.445 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -4.807 -0.137 -6.282 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -2.588 -2.996 -5.872 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -2.925 -3.155 -4.145 1.00 43.20 H new ATOM 1032 N HIS A 236 -4.546 -2.306 -10.381 1.00 22.23 N ATOM 1033 CA HIS A 236 -4.092 -2.885 -11.623 1.00 73.33 C ATOM 1034 C HIS A 236 -3.031 -3.935 -11.316 1.00 63.54 C ATOM 1035 O HIS A 236 -1.893 -3.595 -10.995 1.00 34.42 O ATOM 1036 CB HIS A 236 -3.578 -1.757 -12.529 1.00 2.44 C ATOM 1037 CG HIS A 236 -2.757 -0.698 -11.827 1.00 4.45 C ATOM 1038 ND1 HIS A 236 -3.261 0.387 -11.138 1.00 31.54 N ATOM 1039 CD2 HIS A 236 -1.393 -0.659 -11.724 1.00 72.22 C ATOM 1040 CE1 HIS A 236 -2.210 1.050 -10.625 1.00 31.30 C ATOM 1041 NE2 HIS A 236 -1.058 0.446 -10.942 1.00 63.23 N ATOM 0 H HIS A 236 -4.268 -1.329 -10.286 1.00 22.23 H new ATOM 0 HA HIS A 236 -4.899 -3.388 -12.155 1.00 73.33 H new ATOM 0 HB2 HIS A 236 -2.975 -2.196 -13.324 1.00 2.44 H new ATOM 0 HB3 HIS A 236 -4.432 -1.276 -13.006 1.00 2.44 H new ATOM 0 HD1 HIS A 236 -4.244 0.638 -11.037 1.00 31.54 H new ATOM 0 HD2 HIS A 236 -0.700 -1.358 -12.168 1.00 72.22 H new ATOM 0 HE1 HIS A 236 -2.285 1.951 -10.035 1.00 31.30 H new ATOM 1049 N THR A 237 -3.380 -5.214 -11.401 1.00 74.12 N ATOM 1050 CA THR A 237 -2.400 -6.278 -11.514 1.00 64.12 C ATOM 1051 C THR A 237 -3.013 -7.421 -12.329 1.00 22.14 C ATOM 1052 O THR A 237 -4.194 -7.394 -12.696 1.00 63.42 O ATOM 1053 CB THR A 237 -1.844 -6.673 -10.128 1.00 1.11 C ATOM 1054 OG1 THR A 237 -0.729 -7.526 -10.306 1.00 61.40 O ATOM 1055 CG2 THR A 237 -2.880 -7.331 -9.213 1.00 50.03 C ATOM 0 H THR A 237 -4.347 -5.537 -11.393 1.00 74.12 H new ATOM 0 HA THR A 237 -1.517 -5.947 -12.061 1.00 64.12 H new ATOM 0 HB THR A 237 -1.549 -5.753 -9.624 1.00 1.11 H new ATOM 0 HG1 THR A 237 -0.369 -7.780 -9.431 1.00 61.40 H new ATOM 0 HG21 THR A 237 -2.416 -7.580 -8.259 1.00 50.03 H new ATOM 0 HG22 THR A 237 -3.708 -6.642 -9.045 1.00 50.03 H new ATOM 0 HG23 THR A 237 -3.255 -8.240 -9.683 1.00 50.03 H new ATOM 1063 N ALA A 238 -2.174 -8.399 -12.649 1.00 64.25 N ATOM 1064 CA ALA A 238 -2.525 -9.639 -13.314 1.00 34.41 C ATOM 1065 C ALA A 238 -3.073 -10.647 -12.293 1.00 70.53 C ATOM 1066 O ALA A 238 -2.852 -10.484 -11.091 1.00 41.40 O ATOM 1067 CB ALA A 238 -1.248 -10.180 -13.962 1.00 14.52 C ATOM 0 H ALA A 238 -1.178 -8.341 -12.438 1.00 64.25 H new ATOM 0 HA ALA A 238 -3.297 -9.473 -14.065 1.00 34.41 H new ATOM 0 HB1 ALA A 238 -1.469 -11.116 -14.475 1.00 14.52 H new ATOM 0 HB2 ALA A 238 -0.868 -9.453 -14.680 1.00 14.52 H new ATOM 0 HB3 ALA A 238 -0.496 -10.356 -13.193 1.00 14.52 H new ATOM 1073 N PRO A 239 -3.721 -11.741 -12.737 1.00 61.40 N ATOM 1074 CA PRO A 239 -3.940 -12.888 -11.876 1.00 14.44 C ATOM 1075 C PRO A 239 -2.607 -13.385 -11.316 1.00 74.14 C ATOM 1076 O PRO A 239 -1.652 -13.656 -12.053 1.00 42.52 O ATOM 1077 CB PRO A 239 -4.652 -13.946 -12.724 1.00 51.21 C ATOM 1078 CG PRO A 239 -4.315 -13.549 -14.160 1.00 20.31 C ATOM 1079 CD PRO A 239 -4.184 -12.029 -14.084 1.00 1.53 C ATOM 0 HA PRO A 239 -4.557 -12.639 -11.013 1.00 14.44 H new ATOM 0 HB2 PRO A 239 -4.296 -14.950 -12.493 1.00 51.21 H new ATOM 0 HB3 PRO A 239 -5.728 -13.941 -12.550 1.00 51.21 H new ATOM 0 HG2 PRO A 239 -3.390 -14.016 -14.500 1.00 20.31 H new ATOM 0 HG3 PRO A 239 -5.099 -13.851 -14.855 1.00 20.31 H new ATOM 0 HD2 PRO A 239 -3.478 -11.659 -14.828 1.00 1.53 H new ATOM 0 HD3 PRO A 239 -5.140 -11.543 -14.282 1.00 1.53 H new ATOM 1087 N VAL A 240 -2.579 -13.526 -10.002 1.00 55.30 N ATOM 1088 CA VAL A 240 -1.529 -14.137 -9.201 1.00 73.31 C ATOM 1089 C VAL A 240 -2.224 -15.014 -8.152 1.00 73.24 C ATOM 1090 O VAL A 240 -3.446 -14.922 -7.981 1.00 4.41 O ATOM 1091 CB VAL A 240 -0.617 -13.048 -8.586 1.00 1.54 C ATOM 1092 CG1 VAL A 240 0.235 -12.366 -9.662 1.00 2.11 C ATOM 1093 CG2 VAL A 240 -1.378 -11.962 -7.814 1.00 62.34 C ATOM 0 H VAL A 240 -3.348 -13.191 -9.422 1.00 55.30 H new ATOM 0 HA VAL A 240 -0.867 -14.761 -9.801 1.00 73.31 H new ATOM 0 HB VAL A 240 0.013 -13.583 -7.876 1.00 1.54 H new ATOM 0 HG11 VAL A 240 0.865 -11.606 -9.200 1.00 2.11 H new ATOM 0 HG12 VAL A 240 0.864 -13.109 -10.153 1.00 2.11 H new ATOM 0 HG13 VAL A 240 -0.417 -11.897 -10.399 1.00 2.11 H new ATOM 0 HG21 VAL A 240 -0.670 -11.236 -7.414 1.00 62.34 H new ATOM 0 HG22 VAL A 240 -2.074 -11.458 -8.485 1.00 62.34 H new ATOM 0 HG23 VAL A 240 -1.932 -12.419 -6.994 1.00 62.34 H new ATOM 1103 N SER A 241 -1.472 -15.857 -7.448 1.00 23.54 N ATOM 1104 CA SER A 241 -1.973 -16.700 -6.368 1.00 33.20 C ATOM 1105 C SER A 241 -0.885 -16.833 -5.293 1.00 22.33 C ATOM 1106 O SER A 241 0.283 -16.549 -5.568 1.00 4.10 O ATOM 1107 CB SER A 241 -2.305 -18.108 -6.892 1.00 73.01 C ATOM 1108 OG SER A 241 -2.920 -18.169 -8.169 1.00 42.03 O ATOM 0 H SER A 241 -0.473 -15.975 -7.618 1.00 23.54 H new ATOM 0 HA SER A 241 -2.874 -16.243 -5.958 1.00 33.20 H new ATOM 0 HB2 SER A 241 -1.382 -18.687 -6.927 1.00 73.01 H new ATOM 0 HB3 SER A 241 -2.961 -18.597 -6.171 1.00 73.01 H new ATOM 0 HG SER A 241 -3.231 -19.083 -8.339 1.00 42.03 H new ATOM 1114 N PRO A 242 -1.202 -17.305 -4.083 1.00 54.33 N ATOM 1115 CA PRO A 242 -0.296 -18.152 -3.322 1.00 33.53 C ATOM 1116 C PRO A 242 -0.243 -19.533 -3.991 1.00 62.22 C ATOM 1117 O PRO A 242 -1.253 -19.985 -4.529 1.00 3.45 O ATOM 1118 CB PRO A 242 -0.921 -18.229 -1.929 1.00 40.15 C ATOM 1119 CG PRO A 242 -2.418 -18.107 -2.200 1.00 23.42 C ATOM 1120 CD PRO A 242 -2.500 -17.228 -3.448 1.00 33.01 C ATOM 0 HA PRO A 242 0.726 -17.775 -3.273 1.00 33.53 H new ATOM 0 HB2 PRO A 242 -0.679 -19.169 -1.432 1.00 40.15 H new ATOM 0 HB3 PRO A 242 -0.564 -17.426 -1.284 1.00 40.15 H new ATOM 0 HG2 PRO A 242 -2.873 -19.083 -2.369 1.00 23.42 H new ATOM 0 HG3 PRO A 242 -2.940 -17.653 -1.358 1.00 23.42 H new ATOM 0 HD2 PRO A 242 -3.283 -17.579 -4.120 1.00 33.01 H new ATOM 0 HD3 PRO A 242 -2.744 -16.199 -3.184 1.00 33.01 H new ATOM 1128 N HIS A 243 0.901 -20.212 -3.900 1.00 45.13 N ATOM 1129 CA HIS A 243 1.229 -21.560 -4.380 1.00 20.32 C ATOM 1130 C HIS A 243 0.788 -21.956 -5.802 1.00 25.15 C ATOM 1131 O HIS A 243 1.657 -22.302 -6.598 1.00 54.22 O ATOM 1132 CB HIS A 243 0.857 -22.615 -3.326 1.00 51.05 C ATOM 1133 CG HIS A 243 1.825 -22.641 -2.164 1.00 23.30 C ATOM 1134 ND1 HIS A 243 1.546 -22.368 -0.840 1.00 43.14 N ATOM 1135 CD2 HIS A 243 3.161 -22.931 -2.251 1.00 22.02 C ATOM 1136 CE1 HIS A 243 2.688 -22.491 -0.144 1.00 63.04 C ATOM 1137 NE2 HIS A 243 3.695 -22.845 -0.960 1.00 1.40 N ATOM 0 H HIS A 243 1.707 -19.789 -3.440 1.00 45.13 H new ATOM 0 HA HIS A 243 2.311 -21.524 -4.509 1.00 20.32 H new ATOM 0 HB2 HIS A 243 -0.147 -22.413 -2.953 1.00 51.05 H new ATOM 0 HB3 HIS A 243 0.831 -23.599 -3.795 1.00 51.05 H new ATOM 0 HD2 HIS A 243 3.703 -23.180 -3.151 1.00 22.02 H new ATOM 0 HE1 HIS A 243 2.783 -22.329 0.919 1.00 63.04 H new ATOM 0 HE2 HIS A 243 4.663 -23.018 -0.690 1.00 1.40 H new ATOM 1145 N SER A 244 -0.497 -21.976 -6.157 1.00 53.22 N ATOM 1146 CA SER A 244 -1.006 -22.350 -7.474 1.00 22.22 C ATOM 1147 C SER A 244 -2.287 -21.562 -7.676 1.00 53.24 C ATOM 1148 O SER A 244 -3.273 -21.857 -6.963 1.00 34.02 O ATOM 1149 CB SER A 244 -1.201 -23.879 -7.511 1.00 24.31 C ATOM 1150 OG SER A 244 -1.651 -24.362 -8.769 1.00 51.22 O ATOM 0 H SER A 244 -1.241 -21.721 -5.507 1.00 53.22 H new ATOM 0 HA SER A 244 -0.324 -22.113 -8.290 1.00 22.22 H new ATOM 0 HB2 SER A 244 -0.257 -24.364 -7.261 1.00 24.31 H new ATOM 0 HB3 SER A 244 -1.920 -24.164 -6.743 1.00 24.31 H new ATOM 0 HG SER A 244 -1.753 -25.336 -8.728 1.00 51.22 H new TER 1156 SER A 244