USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 559 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 298 THR OG1 : rot -160:sc= 0.228 USER MOD Set 1.2: A 314 SER OG : rot 180:sc= 0.215 USER MOD Set 2.1: A 267 GLN : amide:sc= -1.28 K(o=-0.48,f=-1.2) USER MOD Set 2.2: A 296 THR OG1 : rot -113:sc= 0.801 USER MOD Set 3.1: A 250 THR OG1 : rot -77:sc= 0.0332 USER MOD Set 3.2: A 310 THR OG1 : rot 75:sc= -1.73! USER MOD Set 4.1: A 248 THR OG1 : rot 180:sc= 0.659 USER MOD Set 4.2: A 312 THR OG1 : rot -116:sc= 0.247 USER MOD Set 5.1: A 244 SER OG : rot -45:sc= 1.1 USER MOD Set 5.2: A 246 GLN : amide:sc= 0.873 K(o=2,f=-0.61) USER MOD Single : A 227 THR OG1 : rot 180:sc= 0 USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.1) USER MOD Single : A 232 THR OG1 : rot -66:sc= 1.42 USER MOD Single : A 233 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 235 THR OG1 : rot 180:sc= 0 USER MOD Single : A 237 THR OG1 : rot 180:sc= 0.00536 USER MOD Single : A 238 TYR OH : rot 180:sc= 0 USER MOD Single : A 239 ASN : amide:sc= -1.93! C(o=-1.9!,f=-2.8!) USER MOD Single : A 242 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0326) USER MOD Single : A 245 TYR OH : rot 150:sc= -0.25 USER MOD Single : A 252 THR OG1 : rot -176:sc= -1.51 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0.00777 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : A 259 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0414) USER MOD Single : A 271 THR OG1 : rot 180:sc= -0.0867 USER MOD Single : A 272 ASN : amide:sc= -0.878 K(o=-0.88,f=-2!) USER MOD Single : A 292 SER OG : rot 37:sc= 0.192 USER MOD Single : A 294 THR OG1 : rot 180:sc= -0.0844 USER MOD Single : A 302 ASN : amide:sc= -0.254 K(o=-0.25,f=-5.7!) USER MOD Single : A 303 SER OG : rot -102:sc= 1.19 USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 340 SER OG : rot 36:sc= 0.746 USER MOD ----------------------------------------------------------------- ATOM 47 N GLY A 226 12.978 -5.012 -8.027 1.00 0.00 N ATOM 48 CA GLY A 226 12.150 -6.154 -8.362 1.00 0.00 C ATOM 49 C GLY A 226 11.001 -6.339 -7.388 1.00 0.00 C ATOM 50 O GLY A 226 10.386 -5.369 -6.945 1.00 0.00 O ATOM 0 HA2 GLY A 226 11.753 -6.029 -9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 226 12.764 -7.055 -8.371 1.00 0.00 H new ATOM 54 N THR A 227 10.696 -7.586 -7.078 1.00 0.00 N ATOM 55 CA THR A 227 9.629 -7.909 -6.142 1.00 0.00 C ATOM 56 C THR A 227 10.060 -7.634 -4.704 1.00 0.00 C ATOM 57 O THR A 227 11.226 -7.823 -4.343 1.00 0.00 O ATOM 58 CB THR A 227 9.243 -9.391 -6.254 1.00 0.00 C ATOM 59 OG1 THR A 227 9.028 -9.740 -7.631 1.00 0.00 O ATOM 60 CG2 THR A 227 7.984 -9.702 -5.452 1.00 0.00 C ATOM 0 H THR A 227 11.176 -8.400 -7.463 1.00 0.00 H new ATOM 0 HA THR A 227 8.775 -7.280 -6.395 1.00 0.00 H new ATOM 0 HB THR A 227 10.065 -9.979 -5.846 1.00 0.00 H new ATOM 0 HG1 THR A 227 8.784 -10.687 -7.694 1.00 0.00 H new ATOM 0 HG21 THR A 227 7.740 -10.759 -5.554 1.00 0.00 H new ATOM 0 HG22 THR A 227 8.155 -9.469 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 227 7.156 -9.101 -5.827 1.00 0.00 H new ATOM 68 N LEU A 228 9.121 -7.171 -3.904 1.00 0.00 N ATOM 69 CA LEU A 228 9.313 -7.024 -2.477 1.00 0.00 C ATOM 70 C LEU A 228 8.077 -7.561 -1.765 1.00 0.00 C ATOM 71 O LEU A 228 7.147 -8.039 -2.414 1.00 0.00 O ATOM 72 CB LEU A 228 9.575 -5.562 -2.105 1.00 0.00 C ATOM 73 CG LEU A 228 10.828 -4.941 -2.779 1.00 0.00 C ATOM 74 CD1 LEU A 228 10.473 -4.013 -3.941 1.00 0.00 C ATOM 75 CD2 LEU A 228 11.659 -4.190 -1.753 1.00 0.00 C ATOM 0 H LEU A 228 8.197 -6.885 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 228 10.189 -7.592 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 228 8.701 -4.969 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 228 9.687 -5.490 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 228 11.408 -5.767 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 228 11.387 -3.607 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 228 9.928 -4.573 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 228 9.850 -3.196 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 228 12.535 -3.759 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 228 11.060 -3.393 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 228 11.980 -4.878 -0.971 1.00 0.00 H new ATOM 87 N THR A 229 8.058 -7.487 -0.449 1.00 0.00 N ATOM 88 CA THR A 229 7.006 -8.126 0.326 1.00 0.00 C ATOM 89 C THR A 229 6.384 -7.165 1.348 1.00 0.00 C ATOM 90 O THR A 229 7.044 -6.248 1.836 1.00 0.00 O ATOM 91 CB THR A 229 7.585 -9.356 1.052 1.00 0.00 C ATOM 92 OG1 THR A 229 8.169 -10.249 0.096 1.00 0.00 O ATOM 93 CG2 THR A 229 6.530 -10.102 1.863 1.00 0.00 C ATOM 0 H THR A 229 8.756 -6.993 0.107 1.00 0.00 H new ATOM 0 HA THR A 229 6.217 -8.430 -0.361 1.00 0.00 H new ATOM 0 HB THR A 229 8.342 -8.995 1.748 1.00 0.00 H new ATOM 0 HG1 THR A 229 8.538 -11.029 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 229 6.989 -10.960 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 229 6.110 -9.434 2.615 1.00 0.00 H new ATOM 0 HG23 THR A 229 5.737 -10.446 1.199 1.00 0.00 H new ATOM 101 N VAL A 230 5.111 -7.380 1.657 1.00 0.00 N ATOM 102 CA VAL A 230 4.421 -6.618 2.692 1.00 0.00 C ATOM 103 C VAL A 230 4.400 -7.434 3.979 1.00 0.00 C ATOM 104 O VAL A 230 3.661 -8.410 4.082 1.00 0.00 O ATOM 105 CB VAL A 230 2.962 -6.286 2.296 1.00 0.00 C ATOM 106 CG1 VAL A 230 2.333 -5.336 3.309 1.00 0.00 C ATOM 107 CG2 VAL A 230 2.893 -5.681 0.899 1.00 0.00 C ATOM 0 H VAL A 230 4.530 -8.083 1.200 1.00 0.00 H new ATOM 0 HA VAL A 230 4.959 -5.680 2.827 1.00 0.00 H new ATOM 0 HB VAL A 230 2.400 -7.220 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 230 1.308 -5.115 3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 230 2.333 -5.802 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 230 2.908 -4.410 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 230 1.855 -5.459 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 230 3.478 -4.762 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 230 3.296 -6.389 0.175 1.00 0.00 H new ATOM 117 N LYS A 231 5.206 -7.041 4.956 1.00 0.00 N ATOM 118 CA LYS A 231 5.351 -7.838 6.174 1.00 0.00 C ATOM 119 C LYS A 231 4.383 -7.371 7.258 1.00 0.00 C ATOM 120 O LYS A 231 4.113 -8.091 8.219 1.00 0.00 O ATOM 121 CB LYS A 231 6.798 -7.790 6.685 1.00 0.00 C ATOM 122 CG LYS A 231 7.044 -8.668 7.902 1.00 0.00 C ATOM 123 CD LYS A 231 8.521 -8.756 8.253 1.00 0.00 C ATOM 124 CE LYS A 231 9.129 -7.388 8.510 1.00 0.00 C ATOM 125 NZ LYS A 231 10.551 -7.486 8.930 1.00 0.00 N1+ ATOM 0 H LYS A 231 5.764 -6.187 4.934 1.00 0.00 H new ATOM 0 HA LYS A 231 5.106 -8.871 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 231 7.468 -8.099 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 231 7.053 -6.760 6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 231 6.492 -8.270 8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 231 6.657 -9.669 7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 231 8.646 -9.380 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 231 9.058 -9.244 7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 231 9.058 -6.783 7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 231 8.556 -6.875 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 10.950 -6.531 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 10.610 -7.983 9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 11.089 -8.012 8.213 1.00 0.00 H new ATOM 139 N THR A 232 3.848 -6.175 7.094 1.00 0.00 N ATOM 140 CA THR A 232 2.932 -5.617 8.075 1.00 0.00 C ATOM 141 C THR A 232 1.675 -5.083 7.398 1.00 0.00 C ATOM 142 O THR A 232 1.452 -5.319 6.213 1.00 0.00 O ATOM 143 CB THR A 232 3.601 -4.500 8.888 1.00 0.00 C ATOM 144 OG1 THR A 232 4.189 -3.552 8.002 1.00 0.00 O ATOM 145 CG2 THR A 232 4.665 -5.065 9.818 1.00 0.00 C ATOM 0 H THR A 232 4.031 -5.571 6.292 1.00 0.00 H new ATOM 0 HA THR A 232 2.653 -6.420 8.757 1.00 0.00 H new ATOM 0 HB THR A 232 2.840 -4.012 9.497 1.00 0.00 H new ATOM 0 HG1 THR A 232 4.928 -3.974 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 232 5.123 -4.253 10.382 1.00 0.00 H new ATOM 0 HG22 THR A 232 4.206 -5.773 10.508 1.00 0.00 H new ATOM 0 HG23 THR A 232 5.429 -5.575 9.230 1.00 0.00 H new ATOM 153 N GLN A 233 0.870 -4.356 8.151 1.00 0.00 N ATOM 154 CA GLN A 233 -0.451 -3.956 7.698 1.00 0.00 C ATOM 155 C GLN A 233 -0.451 -2.477 7.328 1.00 0.00 C ATOM 156 O GLN A 233 -0.145 -1.627 8.164 1.00 0.00 O ATOM 157 CB GLN A 233 -1.475 -4.220 8.803 1.00 0.00 C ATOM 158 CG GLN A 233 -1.406 -5.627 9.385 1.00 0.00 C ATOM 159 CD GLN A 233 -2.374 -5.831 10.533 1.00 0.00 C ATOM 160 OE1 GLN A 233 -2.700 -4.895 11.262 1.00 0.00 O ATOM 161 NE2 GLN A 233 -2.840 -7.055 10.702 1.00 0.00 N ATOM 0 H GLN A 233 1.110 -4.028 9.087 1.00 0.00 H new ATOM 0 HA GLN A 233 -0.718 -4.538 6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.324 -3.498 9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.476 -4.050 8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -1.621 -6.352 8.600 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -0.391 -5.824 9.731 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -2.545 -7.804 10.076 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -3.495 -7.251 11.459 1.00 0.00 H new ATOM 170 N PRO A 234 -0.777 -2.148 6.071 1.00 0.00 N ATOM 171 CA PRO A 234 -0.815 -0.760 5.609 1.00 0.00 C ATOM 172 C PRO A 234 -1.925 0.028 6.291 1.00 0.00 C ATOM 173 O PRO A 234 -3.101 -0.145 5.975 1.00 0.00 O ATOM 174 CB PRO A 234 -1.095 -0.874 4.103 1.00 0.00 C ATOM 175 CG PRO A 234 -0.885 -2.310 3.755 1.00 0.00 C ATOM 176 CD PRO A 234 -1.139 -3.093 5.007 1.00 0.00 C ATOM 0 HA PRO A 234 0.111 -0.232 5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -2.113 -0.561 3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -0.425 -0.232 3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -1.563 -2.620 2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 234 0.129 -2.477 3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -2.181 -3.405 5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -0.531 -3.997 5.047 1.00 0.00 H new ATOM 184 N THR A 235 -1.557 0.893 7.225 1.00 0.00 N ATOM 185 CA THR A 235 -2.557 1.642 7.962 1.00 0.00 C ATOM 186 C THR A 235 -2.024 2.967 8.513 1.00 0.00 C ATOM 187 O THR A 235 -1.019 3.007 9.223 1.00 0.00 O ATOM 188 CB THR A 235 -3.149 0.784 9.107 1.00 0.00 C ATOM 189 OG1 THR A 235 -4.124 1.536 9.839 1.00 0.00 O ATOM 190 CG2 THR A 235 -2.058 0.287 10.058 1.00 0.00 C ATOM 0 H THR A 235 -0.591 1.090 7.485 1.00 0.00 H new ATOM 0 HA THR A 235 -3.345 1.888 7.251 1.00 0.00 H new ATOM 0 HB THR A 235 -3.627 -0.085 8.654 1.00 0.00 H new ATOM 0 HG1 THR A 235 -4.492 0.982 10.559 1.00 0.00 H new ATOM 0 HG21 THR A 235 -2.510 -0.312 10.849 1.00 0.00 H new ATOM 0 HG22 THR A 235 -1.343 -0.322 9.505 1.00 0.00 H new ATOM 0 HG23 THR A 235 -1.543 1.141 10.498 1.00 0.00 H new ATOM 198 N VAL A 236 -2.681 4.046 8.105 1.00 0.00 N ATOM 199 CA VAL A 236 -2.532 5.365 8.707 1.00 0.00 C ATOM 200 C VAL A 236 -3.821 6.155 8.435 1.00 0.00 C ATOM 201 O VAL A 236 -4.703 5.629 7.764 1.00 0.00 O ATOM 202 CB VAL A 236 -1.220 6.101 8.248 1.00 0.00 C ATOM 203 CG1 VAL A 236 -1.404 7.581 7.959 1.00 0.00 C ATOM 204 CG2 VAL A 236 -0.164 5.952 9.323 1.00 0.00 C ATOM 0 H VAL A 236 -3.345 4.028 7.331 1.00 0.00 H new ATOM 0 HA VAL A 236 -2.401 5.271 9.785 1.00 0.00 H new ATOM 0 HB VAL A 236 -0.922 5.630 7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -0.452 8.012 7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -2.137 7.708 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -1.755 8.086 8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 236 0.748 6.460 9.010 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -0.525 6.394 10.252 1.00 0.00 H new ATOM 0 HG23 VAL A 236 0.047 4.894 9.482 1.00 0.00 H new ATOM 214 N THR A 237 -3.941 7.351 9.008 1.00 0.00 N ATOM 215 CA THR A 237 -5.124 8.206 8.919 1.00 0.00 C ATOM 216 C THR A 237 -6.005 7.937 7.690 1.00 0.00 C ATOM 217 O THR A 237 -5.621 8.206 6.547 1.00 0.00 O ATOM 218 CB THR A 237 -4.681 9.679 8.912 1.00 0.00 C ATOM 219 OG1 THR A 237 -3.894 9.949 10.080 1.00 0.00 O ATOM 220 CG2 THR A 237 -5.878 10.617 8.867 1.00 0.00 C ATOM 0 H THR A 237 -3.194 7.765 9.565 1.00 0.00 H new ATOM 0 HA THR A 237 -5.737 7.974 9.790 1.00 0.00 H new ATOM 0 HB THR A 237 -4.084 9.852 8.016 1.00 0.00 H new ATOM 0 HG1 THR A 237 -3.611 10.887 10.074 1.00 0.00 H new ATOM 0 HG21 THR A 237 -5.531 11.650 8.863 1.00 0.00 H new ATOM 0 HG22 THR A 237 -6.457 10.425 7.963 1.00 0.00 H new ATOM 0 HG23 THR A 237 -6.505 10.448 9.742 1.00 0.00 H new ATOM 228 N TYR A 238 -7.180 7.377 7.951 1.00 0.00 N ATOM 229 CA TYR A 238 -8.178 7.135 6.922 1.00 0.00 C ATOM 230 C TYR A 238 -9.283 8.177 7.031 1.00 0.00 C ATOM 231 O TYR A 238 -10.071 8.164 7.980 1.00 0.00 O ATOM 232 CB TYR A 238 -8.775 5.718 7.076 1.00 0.00 C ATOM 233 CG TYR A 238 -8.103 4.665 6.232 1.00 0.00 C ATOM 234 CD1 TYR A 238 -6.895 4.108 6.612 1.00 0.00 C ATOM 235 CD2 TYR A 238 -8.693 4.211 5.062 1.00 0.00 C ATOM 236 CE1 TYR A 238 -6.288 3.131 5.854 1.00 0.00 C ATOM 237 CE2 TYR A 238 -8.094 3.237 4.293 1.00 0.00 C ATOM 238 CZ TYR A 238 -6.890 2.698 4.695 1.00 0.00 C ATOM 239 OH TYR A 238 -6.292 1.717 3.941 1.00 0.00 O ATOM 0 H TYR A 238 -7.466 7.078 8.883 1.00 0.00 H new ATOM 0 HA TYR A 238 -7.704 7.209 5.943 1.00 0.00 H new ATOM 0 HB2 TYR A 238 -8.712 5.422 8.123 1.00 0.00 H new ATOM 0 HB3 TYR A 238 -9.833 5.753 6.818 1.00 0.00 H new ATOM 0 HD1 TYR A 238 -6.419 4.446 7.521 1.00 0.00 H new ATOM 0 HD2 TYR A 238 -9.638 4.628 4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 238 -5.345 2.707 6.168 1.00 0.00 H new ATOM 0 HE2 TYR A 238 -8.564 2.898 3.382 1.00 0.00 H new ATOM 0 HH TYR A 238 -6.846 1.525 3.156 1.00 0.00 H new ATOM 249 N ASN A 239 -9.326 9.086 6.073 1.00 0.00 N ATOM 250 CA ASN A 239 -10.330 10.135 6.057 1.00 0.00 C ATOM 251 C ASN A 239 -11.090 10.045 4.744 1.00 0.00 C ATOM 252 O ASN A 239 -10.675 10.599 3.732 1.00 0.00 O ATOM 253 CB ASN A 239 -9.659 11.502 6.222 1.00 0.00 C ATOM 254 CG ASN A 239 -10.405 12.406 7.182 1.00 0.00 C ATOM 255 OD1 ASN A 239 -11.138 11.940 8.055 1.00 0.00 O ATOM 256 ND2 ASN A 239 -10.194 13.706 7.058 1.00 0.00 N ATOM 0 H ASN A 239 -8.672 9.118 5.291 1.00 0.00 H new ATOM 0 HA ASN A 239 -11.029 10.012 6.884 1.00 0.00 H new ATOM 0 HB2 ASN A 239 -8.639 11.361 6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 239 -9.591 11.989 5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 239 -10.645 14.359 7.698 1.00 0.00 H new ATOM 0 HD22 ASN A 239 -9.580 14.055 6.322 1.00 0.00 H new ATOM 263 N ALA A 240 -12.210 9.353 4.775 1.00 0.00 N ATOM 264 CA ALA A 240 -12.842 8.856 3.559 1.00 0.00 C ATOM 265 C ALA A 240 -13.704 9.908 2.895 1.00 0.00 C ATOM 266 O ALA A 240 -13.573 10.162 1.700 1.00 0.00 O ATOM 267 CB ALA A 240 -13.660 7.620 3.868 1.00 0.00 C ATOM 0 H ALA A 240 -12.709 9.118 5.633 1.00 0.00 H new ATOM 0 HA ALA A 240 -12.049 8.599 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 240 -14.128 7.256 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 240 -13.010 6.846 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 240 -14.431 7.867 4.597 1.00 0.00 H new ATOM 273 N VAL A 241 -14.575 10.530 3.676 1.00 0.00 N ATOM 274 CA VAL A 241 -15.440 11.588 3.165 1.00 0.00 C ATOM 275 C VAL A 241 -14.590 12.757 2.680 1.00 0.00 C ATOM 276 O VAL A 241 -15.003 13.548 1.835 1.00 0.00 O ATOM 277 CB VAL A 241 -16.425 12.077 4.255 1.00 0.00 C ATOM 278 CG1 VAL A 241 -17.410 13.097 3.697 1.00 0.00 C ATOM 279 CG2 VAL A 241 -17.170 10.902 4.880 1.00 0.00 C ATOM 0 H VAL A 241 -14.703 10.322 4.666 1.00 0.00 H new ATOM 0 HA VAL A 241 -16.020 11.185 2.335 1.00 0.00 H new ATOM 0 HB VAL A 241 -15.838 12.567 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 241 -18.087 13.420 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 241 -16.863 13.959 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 241 -17.985 12.644 2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 241 -17.856 11.270 5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 241 -17.733 10.377 4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 241 -16.454 10.218 5.336 1.00 0.00 H new ATOM 289 N LYS A 242 -13.382 12.835 3.213 1.00 0.00 N ATOM 290 CA LYS A 242 -12.467 13.910 2.889 1.00 0.00 C ATOM 291 C LYS A 242 -11.494 13.489 1.790 1.00 0.00 C ATOM 292 O LYS A 242 -10.727 14.299 1.267 1.00 0.00 O ATOM 293 CB LYS A 242 -11.712 14.318 4.149 1.00 0.00 C ATOM 294 CG LYS A 242 -12.635 14.566 5.333 1.00 0.00 C ATOM 295 CD LYS A 242 -13.589 15.723 5.074 1.00 0.00 C ATOM 296 CE LYS A 242 -12.851 17.036 4.860 1.00 0.00 C ATOM 297 NZ LYS A 242 -12.189 17.516 6.102 1.00 0.00 N1+ ATOM 0 H LYS A 242 -13.012 12.157 3.879 1.00 0.00 H new ATOM 0 HA LYS A 242 -13.035 14.761 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -10.997 13.537 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -11.137 15.222 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -13.208 13.663 5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -12.039 14.778 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -14.197 15.502 4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -14.272 15.825 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -12.103 16.907 4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -13.553 17.792 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -11.785 18.460 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -12.888 17.567 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -11.430 16.857 6.368 1.00 0.00 H new ATOM 311 N ASP A 243 -11.561 12.202 1.457 1.00 0.00 N ATOM 312 CA ASP A 243 -10.727 11.586 0.419 1.00 0.00 C ATOM 313 C ASP A 243 -9.244 11.706 0.744 1.00 0.00 C ATOM 314 O ASP A 243 -8.467 12.246 -0.040 1.00 0.00 O ATOM 315 CB ASP A 243 -11.008 12.190 -0.964 1.00 0.00 C ATOM 316 CG ASP A 243 -12.351 11.776 -1.537 1.00 0.00 C ATOM 317 OD1 ASP A 243 -12.409 10.752 -2.251 1.00 0.00 O ATOM 318 OD2 ASP A 243 -13.353 12.486 -1.303 1.00 0.00 O1- ATOM 0 H ASP A 243 -12.203 11.547 1.904 1.00 0.00 H new ATOM 0 HA ASP A 243 -10.990 10.529 0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -10.970 13.277 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -10.218 11.888 -1.652 1.00 0.00 H new ATOM 323 N SER A 244 -8.856 11.188 1.895 1.00 0.00 N ATOM 324 CA SER A 244 -7.461 11.207 2.303 1.00 0.00 C ATOM 325 C SER A 244 -7.098 9.888 2.969 1.00 0.00 C ATOM 326 O SER A 244 -7.606 9.562 4.041 1.00 0.00 O ATOM 327 CB SER A 244 -7.196 12.374 3.256 1.00 0.00 C ATOM 328 OG SER A 244 -5.805 12.568 3.463 1.00 0.00 O ATOM 0 H SER A 244 -9.487 10.748 2.565 1.00 0.00 H new ATOM 0 HA SER A 244 -6.839 11.340 1.418 1.00 0.00 H new ATOM 0 HB2 SER A 244 -7.635 13.285 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 244 -7.685 12.184 4.212 1.00 0.00 H new ATOM 0 HG SER A 244 -5.373 11.702 3.616 1.00 0.00 H new ATOM 334 N TYR A 245 -6.239 9.125 2.318 1.00 0.00 N ATOM 335 CA TYR A 245 -5.826 7.827 2.829 1.00 0.00 C ATOM 336 C TYR A 245 -4.307 7.711 2.832 1.00 0.00 C ATOM 337 O TYR A 245 -3.686 7.641 1.768 1.00 0.00 O ATOM 338 CB TYR A 245 -6.406 6.699 1.971 1.00 0.00 C ATOM 339 CG TYR A 245 -7.901 6.781 1.741 1.00 0.00 C ATOM 340 CD1 TYR A 245 -8.424 7.021 0.476 1.00 0.00 C ATOM 341 CD2 TYR A 245 -8.784 6.603 2.789 1.00 0.00 C ATOM 342 CE1 TYR A 245 -9.788 7.079 0.268 1.00 0.00 C ATOM 343 CE2 TYR A 245 -10.149 6.661 2.593 1.00 0.00 C ATOM 344 CZ TYR A 245 -10.645 6.897 1.330 1.00 0.00 C ATOM 345 OH TYR A 245 -12.005 6.948 1.129 1.00 0.00 O ATOM 0 H TYR A 245 -5.811 9.382 1.429 1.00 0.00 H new ATOM 0 HA TYR A 245 -6.201 7.738 3.849 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -5.903 6.702 1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -6.177 5.745 2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -7.753 7.164 -0.358 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -8.399 6.415 3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -10.180 7.266 -0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -10.824 6.522 3.425 1.00 0.00 H new ATOM 0 HH TYR A 245 -12.454 6.366 1.777 1.00 0.00 H new ATOM 355 N GLN A 246 -3.696 7.703 4.010 1.00 0.00 N ATOM 356 CA GLN A 246 -2.267 7.457 4.097 1.00 0.00 C ATOM 357 C GLN A 246 -2.050 6.141 4.836 1.00 0.00 C ATOM 358 O GLN A 246 -2.982 5.624 5.448 1.00 0.00 O ATOM 359 CB GLN A 246 -1.534 8.606 4.803 1.00 0.00 C ATOM 360 CG GLN A 246 -1.675 9.970 4.136 1.00 0.00 C ATOM 361 CD GLN A 246 -2.939 10.711 4.548 1.00 0.00 C ATOM 362 OE1 GLN A 246 -3.981 10.601 3.905 1.00 0.00 O ATOM 363 NE2 GLN A 246 -2.852 11.475 5.627 1.00 0.00 N ATOM 0 H GLN A 246 -4.161 7.862 4.904 1.00 0.00 H new ATOM 0 HA GLN A 246 -1.853 7.395 3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 246 -1.905 8.679 5.825 1.00 0.00 H new ATOM 0 HB3 GLN A 246 -0.475 8.357 4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 246 -0.807 10.580 4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 246 -1.674 9.840 3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 246 -1.970 11.541 6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 246 -3.667 11.997 5.950 1.00 0.00 H new ATOM 372 N PHE A 247 -0.847 5.585 4.780 1.00 0.00 N ATOM 373 CA PHE A 247 -0.602 4.288 5.400 1.00 0.00 C ATOM 374 C PHE A 247 0.874 4.055 5.719 1.00 0.00 C ATOM 375 O PHE A 247 1.723 4.161 4.844 1.00 0.00 O ATOM 376 CB PHE A 247 -1.142 3.151 4.526 1.00 0.00 C ATOM 377 CG PHE A 247 -0.728 3.194 3.078 1.00 0.00 C ATOM 378 CD1 PHE A 247 0.107 2.223 2.552 1.00 0.00 C ATOM 379 CD2 PHE A 247 -1.204 4.185 2.235 1.00 0.00 C ATOM 380 CE1 PHE A 247 0.455 2.239 1.219 1.00 0.00 C ATOM 381 CE2 PHE A 247 -0.850 4.213 0.907 1.00 0.00 C ATOM 382 CZ PHE A 247 -0.023 3.238 0.396 1.00 0.00 C ATOM 0 H PHE A 247 -0.038 6.002 4.320 1.00 0.00 H new ATOM 0 HA PHE A 247 -1.139 4.294 6.348 1.00 0.00 H new ATOM 0 HB2 PHE A 247 -0.815 2.202 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 247 -2.231 3.164 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 247 0.490 1.444 3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 247 -1.862 4.946 2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 247 1.101 1.471 0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 247 -1.220 4.999 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 247 0.251 3.255 -0.648 1.00 0.00 H new ATOM 392 N THR A 248 1.181 3.726 6.972 1.00 0.00 N ATOM 393 CA THR A 248 2.542 3.405 7.361 1.00 0.00 C ATOM 394 C THR A 248 2.733 1.908 7.288 1.00 0.00 C ATOM 395 O THR A 248 1.879 1.154 7.763 1.00 0.00 O ATOM 396 CB THR A 248 2.842 3.873 8.805 1.00 0.00 C ATOM 397 OG1 THR A 248 2.805 5.300 8.882 1.00 0.00 O ATOM 398 CG2 THR A 248 4.199 3.371 9.286 1.00 0.00 C ATOM 0 H THR A 248 0.502 3.676 7.731 1.00 0.00 H new ATOM 0 HA THR A 248 3.222 3.919 6.682 1.00 0.00 H new ATOM 0 HB THR A 248 2.073 3.452 9.452 1.00 0.00 H new ATOM 0 HG1 THR A 248 2.995 5.583 9.801 1.00 0.00 H new ATOM 0 HG21 THR A 248 4.376 3.719 10.304 1.00 0.00 H new ATOM 0 HG22 THR A 248 4.211 2.281 9.268 1.00 0.00 H new ATOM 0 HG23 THR A 248 4.982 3.753 8.631 1.00 0.00 H new ATOM 406 N VAL A 249 3.822 1.465 6.681 1.00 0.00 N ATOM 407 CA VAL A 249 4.031 0.029 6.556 1.00 0.00 C ATOM 408 C VAL A 249 5.495 -0.362 6.757 1.00 0.00 C ATOM 409 O VAL A 249 6.410 0.359 6.360 1.00 0.00 O ATOM 410 CB VAL A 249 3.581 -0.523 5.179 1.00 0.00 C ATOM 411 CG1 VAL A 249 3.083 -1.955 5.306 1.00 0.00 C ATOM 412 CG2 VAL A 249 2.525 0.358 4.529 1.00 0.00 C ATOM 0 H VAL A 249 4.552 2.053 6.280 1.00 0.00 H new ATOM 0 HA VAL A 249 3.417 -0.409 7.342 1.00 0.00 H new ATOM 0 HB VAL A 249 4.455 -0.516 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 249 2.773 -2.321 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 249 3.884 -2.586 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 249 2.235 -1.986 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 249 2.239 -0.066 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 249 1.649 0.414 5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 249 2.929 1.359 4.378 1.00 0.00 H new ATOM 422 N THR A 250 5.700 -1.501 7.398 1.00 0.00 N ATOM 423 CA THR A 250 6.983 -2.172 7.404 1.00 0.00 C ATOM 424 C THR A 250 6.995 -3.200 6.276 1.00 0.00 C ATOM 425 O THR A 250 6.256 -4.195 6.313 1.00 0.00 O ATOM 426 CB THR A 250 7.238 -2.872 8.756 1.00 0.00 C ATOM 427 OG1 THR A 250 7.446 -1.894 9.783 1.00 0.00 O ATOM 428 CG2 THR A 250 8.437 -3.808 8.687 1.00 0.00 C ATOM 0 H THR A 250 4.977 -1.985 7.930 1.00 0.00 H new ATOM 0 HA THR A 250 7.774 -1.436 7.257 1.00 0.00 H new ATOM 0 HB THR A 250 6.357 -3.470 8.991 1.00 0.00 H new ATOM 0 HG1 THR A 250 8.351 -1.526 9.705 1.00 0.00 H new ATOM 0 HG21 THR A 250 8.585 -4.282 9.657 1.00 0.00 H new ATOM 0 HG22 THR A 250 8.258 -4.574 7.932 1.00 0.00 H new ATOM 0 HG23 THR A 250 9.328 -3.239 8.422 1.00 0.00 H new ATOM 436 N LEU A 251 7.809 -2.959 5.266 1.00 0.00 N ATOM 437 CA LEU A 251 7.841 -3.824 4.109 1.00 0.00 C ATOM 438 C LEU A 251 9.073 -4.708 4.208 1.00 0.00 C ATOM 439 O LEU A 251 9.937 -4.485 5.053 1.00 0.00 O ATOM 440 CB LEU A 251 7.853 -3.004 2.798 1.00 0.00 C ATOM 441 CG LEU A 251 6.636 -2.097 2.539 1.00 0.00 C ATOM 442 CD1 LEU A 251 6.716 -0.802 3.338 1.00 0.00 C ATOM 443 CD2 LEU A 251 6.531 -1.780 1.058 1.00 0.00 C ATOM 0 H LEU A 251 8.455 -2.171 5.226 1.00 0.00 H new ATOM 0 HA LEU A 251 6.943 -4.441 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 251 8.748 -2.382 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 251 7.944 -3.699 1.963 1.00 0.00 H new ATOM 0 HG LEU A 251 5.747 -2.637 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 251 5.839 -0.190 3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 251 6.750 -1.033 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 251 7.616 -0.256 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 251 5.668 -1.138 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 251 7.436 -1.268 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 251 6.414 -2.706 0.495 1.00 0.00 H new ATOM 455 N THR A 252 9.142 -5.721 3.382 1.00 0.00 N ATOM 456 CA THR A 252 10.282 -6.605 3.360 1.00 0.00 C ATOM 457 C THR A 252 10.931 -6.582 1.979 1.00 0.00 C ATOM 458 O THR A 252 10.234 -6.532 0.965 1.00 0.00 O ATOM 459 CB THR A 252 9.852 -8.029 3.721 1.00 0.00 C ATOM 460 OG1 THR A 252 8.421 -8.090 3.786 1.00 0.00 O ATOM 461 CG2 THR A 252 10.448 -8.460 5.058 1.00 0.00 C ATOM 0 H THR A 252 8.413 -5.957 2.708 1.00 0.00 H new ATOM 0 HA THR A 252 11.010 -6.264 4.097 1.00 0.00 H new ATOM 0 HB THR A 252 10.219 -8.708 2.951 1.00 0.00 H new ATOM 0 HG1 THR A 252 8.145 -8.984 4.077 1.00 0.00 H new ATOM 0 HG21 THR A 252 10.126 -9.475 5.289 1.00 0.00 H new ATOM 0 HG22 THR A 252 11.536 -8.429 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 252 10.108 -7.784 5.843 1.00 0.00 H new ATOM 469 N GLY A 253 12.255 -6.606 1.939 1.00 0.00 N ATOM 470 CA GLY A 253 12.960 -6.473 0.689 1.00 0.00 C ATOM 471 C GLY A 253 14.178 -7.365 0.619 1.00 0.00 C ATOM 472 O GLY A 253 14.164 -8.485 1.137 1.00 0.00 O ATOM 0 H GLY A 253 12.853 -6.716 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 253 12.287 -6.716 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 253 13.265 -5.435 0.555 1.00 0.00 H new ATOM 476 N ALA A 254 15.236 -6.866 0.000 1.00 0.00 N ATOM 477 CA ALA A 254 16.423 -7.666 -0.239 1.00 0.00 C ATOM 478 C ALA A 254 17.596 -7.224 0.626 1.00 0.00 C ATOM 479 O ALA A 254 17.449 -6.362 1.493 1.00 0.00 O ATOM 480 CB ALA A 254 16.791 -7.630 -1.713 1.00 0.00 C ATOM 0 H ALA A 254 15.295 -5.908 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 254 16.192 -8.693 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 254 17.683 -8.234 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 254 15.967 -8.029 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 254 16.988 -6.601 -2.014 1.00 0.00 H new ATOM 486 N THR A 255 18.752 -7.828 0.372 1.00 0.00 N ATOM 487 CA THR A 255 19.939 -7.651 1.194 1.00 0.00 C ATOM 488 C THR A 255 20.496 -6.215 1.119 1.00 0.00 C ATOM 489 O THR A 255 20.003 -5.377 0.357 1.00 0.00 O ATOM 490 CB THR A 255 21.018 -8.677 0.756 1.00 0.00 C ATOM 491 OG1 THR A 255 20.378 -9.934 0.492 1.00 0.00 O ATOM 492 CG2 THR A 255 22.093 -8.899 1.830 1.00 0.00 C ATOM 0 H THR A 255 18.890 -8.459 -0.417 1.00 0.00 H new ATOM 0 HA THR A 255 19.660 -7.823 2.234 1.00 0.00 H new ATOM 0 HB THR A 255 21.509 -8.277 -0.131 1.00 0.00 H new ATOM 0 HG1 THR A 255 21.050 -10.591 0.212 1.00 0.00 H new ATOM 0 HG21 THR A 255 22.822 -9.626 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 255 22.596 -7.955 2.042 1.00 0.00 H new ATOM 0 HG23 THR A 255 21.626 -9.274 2.741 1.00 0.00 H new ATOM 500 N ALA A 256 21.517 -5.957 1.932 1.00 0.00 N ATOM 501 CA ALA A 256 22.184 -4.659 2.022 1.00 0.00 C ATOM 502 C ALA A 256 22.795 -4.204 0.688 1.00 0.00 C ATOM 503 O ALA A 256 22.610 -4.848 -0.347 1.00 0.00 O ATOM 504 CB ALA A 256 23.249 -4.724 3.107 1.00 0.00 C ATOM 0 H ALA A 256 21.912 -6.657 2.559 1.00 0.00 H new ATOM 0 HA ALA A 256 21.430 -3.914 2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 256 23.752 -3.760 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 256 22.781 -4.964 4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 256 23.978 -5.495 2.856 1.00 0.00 H new ATOM 510 N SER A 257 23.501 -3.067 0.738 1.00 0.00 N ATOM 511 CA SER A 257 24.126 -2.438 -0.430 1.00 0.00 C ATOM 512 C SER A 257 23.118 -1.620 -1.233 1.00 0.00 C ATOM 513 O SER A 257 23.401 -1.185 -2.350 1.00 0.00 O ATOM 514 CB SER A 257 24.836 -3.472 -1.321 1.00 0.00 C ATOM 515 OG SER A 257 25.888 -4.107 -0.611 1.00 0.00 O ATOM 0 H SER A 257 23.656 -2.552 1.604 1.00 0.00 H new ATOM 0 HA SER A 257 24.885 -1.752 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 257 24.119 -4.218 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 257 25.234 -2.982 -2.209 1.00 0.00 H new ATOM 0 HG SER A 257 26.327 -4.762 -1.193 1.00 0.00 H new ATOM 521 N VAL A 258 21.941 -1.418 -0.658 1.00 0.00 N ATOM 522 CA VAL A 258 20.996 -0.445 -1.177 1.00 0.00 C ATOM 523 C VAL A 258 20.557 0.463 -0.032 1.00 0.00 C ATOM 524 O VAL A 258 19.591 0.171 0.684 1.00 0.00 O ATOM 525 CB VAL A 258 19.758 -1.105 -1.831 1.00 0.00 C ATOM 526 CG1 VAL A 258 18.893 -0.057 -2.518 1.00 0.00 C ATOM 527 CG2 VAL A 258 20.172 -2.189 -2.818 1.00 0.00 C ATOM 0 H VAL A 258 21.619 -1.918 0.171 1.00 0.00 H new ATOM 0 HA VAL A 258 21.495 0.127 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 258 19.171 -1.575 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 258 18.028 -0.540 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 258 18.556 0.675 -1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 258 19.475 0.445 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 258 19.282 -2.636 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 258 20.788 -1.750 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 258 20.742 -2.958 -2.296 1.00 0.00 H new ATOM 537 N THR A 259 21.295 1.547 0.157 1.00 0.00 N ATOM 538 CA THR A 259 21.033 2.474 1.243 1.00 0.00 C ATOM 539 C THR A 259 19.759 3.267 0.969 1.00 0.00 C ATOM 540 O THR A 259 19.777 4.274 0.258 1.00 0.00 O ATOM 541 CB THR A 259 22.221 3.432 1.441 1.00 0.00 C ATOM 542 OG1 THR A 259 23.445 2.681 1.406 1.00 0.00 O ATOM 543 CG2 THR A 259 22.116 4.163 2.773 1.00 0.00 C ATOM 0 H THR A 259 22.085 1.806 -0.434 1.00 0.00 H new ATOM 0 HA THR A 259 20.899 1.897 2.158 1.00 0.00 H new ATOM 0 HB THR A 259 22.209 4.171 0.640 1.00 0.00 H new ATOM 0 HG1 THR A 259 24.205 3.288 1.530 1.00 0.00 H new ATOM 0 HG21 THR A 259 22.968 4.834 2.888 1.00 0.00 H new ATOM 0 HG22 THR A 259 21.193 4.742 2.799 1.00 0.00 H new ATOM 0 HG23 THR A 259 22.113 3.438 3.587 1.00 0.00 H new ATOM 551 N GLY A 260 18.663 2.807 1.550 1.00 0.00 N ATOM 552 CA GLY A 260 17.365 3.356 1.246 1.00 0.00 C ATOM 553 C GLY A 260 16.922 3.019 -0.160 1.00 0.00 C ATOM 554 O GLY A 260 17.376 3.653 -1.111 1.00 0.00 O ATOM 0 H GLY A 260 18.653 2.052 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 260 16.634 2.973 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 260 17.392 4.439 1.368 1.00 0.00 H new ATOM 558 N PHE A 261 16.079 1.993 -0.303 1.00 0.00 N ATOM 559 CA PHE A 261 15.459 1.690 -1.594 1.00 0.00 C ATOM 560 C PHE A 261 14.953 2.964 -2.269 1.00 0.00 C ATOM 561 O PHE A 261 15.410 3.334 -3.350 1.00 0.00 O ATOM 562 CB PHE A 261 14.256 0.740 -1.429 1.00 0.00 C ATOM 563 CG PHE A 261 14.587 -0.723 -1.494 1.00 0.00 C ATOM 564 CD1 PHE A 261 15.097 -1.277 -2.657 1.00 0.00 C ATOM 565 CD2 PHE A 261 14.358 -1.551 -0.407 1.00 0.00 C ATOM 566 CE1 PHE A 261 15.373 -2.627 -2.735 1.00 0.00 C ATOM 567 CE2 PHE A 261 14.637 -2.903 -0.478 1.00 0.00 C ATOM 568 CZ PHE A 261 15.145 -3.442 -1.643 1.00 0.00 C ATOM 0 H PHE A 261 15.812 1.363 0.453 1.00 0.00 H new ATOM 0 HA PHE A 261 16.227 1.216 -2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 261 13.778 0.946 -0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 261 13.525 0.966 -2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 261 15.281 -0.645 -3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 261 13.957 -1.136 0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 261 15.767 -3.046 -3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 261 14.458 -3.537 0.377 1.00 0.00 H new ATOM 0 HZ PHE A 261 15.364 -4.498 -1.701 1.00 0.00 H new ATOM 578 N LEU A 262 14.037 3.647 -1.593 1.00 0.00 N ATOM 579 CA LEU A 262 13.373 4.822 -2.142 1.00 0.00 C ATOM 580 C LEU A 262 13.039 5.791 -1.016 1.00 0.00 C ATOM 581 O LEU A 262 13.100 5.415 0.157 1.00 0.00 O ATOM 582 CB LEU A 262 12.088 4.409 -2.865 1.00 0.00 C ATOM 583 CG LEU A 262 12.265 3.488 -4.077 1.00 0.00 C ATOM 584 CD1 LEU A 262 10.913 3.031 -4.588 1.00 0.00 C ATOM 585 CD2 LEU A 262 13.038 4.190 -5.187 1.00 0.00 C ATOM 0 H LEU A 262 13.734 3.402 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 262 14.040 5.308 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 262 11.435 3.911 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 262 11.573 5.312 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 262 12.839 2.616 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 262 11.052 2.377 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 262 10.391 2.488 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 262 10.323 3.899 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 262 13.150 3.515 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 262 12.495 5.081 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 262 14.023 4.477 -4.819 1.00 0.00 H new ATOM 597 N LYS A 263 12.692 7.029 -1.363 1.00 0.00 N ATOM 598 CA LYS A 263 12.354 8.039 -0.368 1.00 0.00 C ATOM 599 C LYS A 263 11.194 8.916 -0.829 1.00 0.00 C ATOM 600 O LYS A 263 10.499 8.576 -1.783 1.00 0.00 O ATOM 601 CB LYS A 263 13.574 8.898 -0.036 1.00 0.00 C ATOM 602 CG LYS A 263 14.669 8.108 0.643 1.00 0.00 C ATOM 603 CD LYS A 263 15.800 8.993 1.126 1.00 0.00 C ATOM 604 CE LYS A 263 16.877 8.172 1.816 1.00 0.00 C ATOM 605 NZ LYS A 263 18.017 9.009 2.269 1.00 0.00 N1+ ATOM 0 H LYS A 263 12.638 7.355 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 263 12.037 7.517 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 263 13.964 9.340 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 263 13.270 9.721 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 263 14.250 7.563 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 263 15.062 7.365 -0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 263 16.232 9.530 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 263 15.411 9.742 1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 263 16.445 7.656 2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 263 17.241 7.405 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 18.727 8.407 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 18.448 9.482 1.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 17.676 9.725 2.942 1.00 0.00 H new ATOM 619 N ALA A 264 10.985 10.031 -0.130 1.00 0.00 N ATOM 620 CA ALA A 264 9.875 10.937 -0.403 1.00 0.00 C ATOM 621 C ALA A 264 9.815 11.343 -1.872 1.00 0.00 C ATOM 622 O ALA A 264 10.704 12.027 -2.386 1.00 0.00 O ATOM 623 CB ALA A 264 9.989 12.172 0.475 1.00 0.00 C ATOM 0 H ALA A 264 11.582 10.330 0.641 1.00 0.00 H new ATOM 0 HA ALA A 264 8.951 10.406 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 264 9.157 12.845 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 264 9.962 11.876 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 264 10.929 12.682 0.265 1.00 0.00 H new ATOM 629 N GLY A 265 8.762 10.906 -2.535 1.00 0.00 N ATOM 630 CA GLY A 265 8.552 11.262 -3.923 1.00 0.00 C ATOM 631 C GLY A 265 8.721 10.076 -4.845 1.00 0.00 C ATOM 632 O GLY A 265 8.272 10.098 -5.993 1.00 0.00 O ATOM 0 H GLY A 265 8.041 10.305 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 265 7.550 11.675 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 265 9.256 12.045 -4.207 1.00 0.00 H new ATOM 636 N ASP A 266 9.360 9.033 -4.337 1.00 0.00 N ATOM 637 CA ASP A 266 9.573 7.820 -5.111 1.00 0.00 C ATOM 638 C ASP A 266 8.327 6.950 -5.047 1.00 0.00 C ATOM 639 O ASP A 266 7.631 6.926 -4.034 1.00 0.00 O ATOM 640 CB ASP A 266 10.778 7.038 -4.585 1.00 0.00 C ATOM 641 CG ASP A 266 12.108 7.722 -4.850 1.00 0.00 C ATOM 642 OD1 ASP A 266 12.662 8.346 -3.918 1.00 0.00 O ATOM 643 OD2 ASP A 266 12.621 7.625 -5.986 1.00 0.00 O1- ATOM 0 H ASP A 266 9.740 9.003 -3.391 1.00 0.00 H new ATOM 0 HA ASP A 266 9.773 8.101 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 266 10.663 6.888 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 266 10.789 6.050 -5.045 1.00 0.00 H new ATOM 648 N GLN A 267 8.040 6.242 -6.123 1.00 0.00 N ATOM 649 CA GLN A 267 6.809 5.478 -6.206 1.00 0.00 C ATOM 650 C GLN A 267 7.082 3.989 -6.361 1.00 0.00 C ATOM 651 O GLN A 267 8.046 3.572 -7.010 1.00 0.00 O ATOM 652 CB GLN A 267 5.954 5.987 -7.367 1.00 0.00 C ATOM 653 CG GLN A 267 5.769 7.500 -7.349 1.00 0.00 C ATOM 654 CD GLN A 267 4.316 7.931 -7.298 1.00 0.00 C ATOM 655 OE1 GLN A 267 3.988 8.964 -6.715 1.00 0.00 O ATOM 656 NE2 GLN A 267 3.436 7.162 -7.915 1.00 0.00 N ATOM 0 H GLN A 267 8.638 6.180 -6.947 1.00 0.00 H new ATOM 0 HA GLN A 267 6.265 5.616 -5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 267 6.418 5.694 -8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 267 4.977 5.506 -7.330 1.00 0.00 H new ATOM 0 HG2 GLN A 267 6.292 7.912 -6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 267 6.235 7.926 -8.238 1.00 0.00 H new ATOM 0 HE21 GLN A 267 3.744 6.313 -8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 267 2.449 7.418 -7.918 1.00 0.00 H new ATOM 665 N VAL A 268 6.212 3.197 -5.767 1.00 0.00 N ATOM 666 CA VAL A 268 6.316 1.750 -5.803 1.00 0.00 C ATOM 667 C VAL A 268 5.064 1.155 -6.411 1.00 0.00 C ATOM 668 O VAL A 268 4.153 1.867 -6.801 1.00 0.00 O ATOM 669 CB VAL A 268 6.494 1.128 -4.389 1.00 0.00 C ATOM 670 CG1 VAL A 268 7.963 1.061 -4.007 1.00 0.00 C ATOM 671 CG2 VAL A 268 5.723 1.926 -3.339 1.00 0.00 C ATOM 0 H VAL A 268 5.408 3.540 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 268 7.198 1.521 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 268 6.093 0.115 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 268 8.061 0.622 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 268 8.499 0.446 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 268 8.384 2.066 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 268 5.864 1.470 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 268 6.092 2.952 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 268 4.662 1.927 -3.589 1.00 0.00 H new ATOM 681 N LYS A 269 5.036 -0.152 -6.476 1.00 0.00 N ATOM 682 CA LYS A 269 3.876 -0.885 -6.926 1.00 0.00 C ATOM 683 C LYS A 269 3.533 -1.913 -5.858 1.00 0.00 C ATOM 684 O LYS A 269 4.434 -2.515 -5.282 1.00 0.00 O ATOM 685 CB LYS A 269 4.187 -1.550 -8.281 1.00 0.00 C ATOM 686 CG LYS A 269 3.155 -2.565 -8.759 1.00 0.00 C ATOM 687 CD LYS A 269 3.387 -3.934 -8.138 1.00 0.00 C ATOM 688 CE LYS A 269 2.276 -4.908 -8.487 1.00 0.00 C ATOM 689 NZ LYS A 269 2.205 -5.170 -9.950 1.00 0.00 N1+ ATOM 0 H LYS A 269 5.824 -0.744 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 269 3.020 -0.227 -7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 269 4.283 -0.770 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 269 5.155 -2.046 -8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 269 2.155 -2.215 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 269 3.199 -2.645 -9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 269 4.341 -4.332 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 269 3.456 -3.835 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 269 2.437 -5.847 -7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 269 1.322 -4.508 -8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 269 1.491 -5.903 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 269 1.942 -4.295 -10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 269 3.132 -5.496 -10.290 1.00 0.00 H new ATOM 703 N PHE A 270 2.260 -2.110 -5.566 1.00 0.00 N ATOM 704 CA PHE A 270 1.890 -3.102 -4.573 1.00 0.00 C ATOM 705 C PHE A 270 0.569 -3.750 -4.932 1.00 0.00 C ATOM 706 O PHE A 270 -0.232 -3.189 -5.686 1.00 0.00 O ATOM 707 CB PHE A 270 1.818 -2.481 -3.172 1.00 0.00 C ATOM 708 CG PHE A 270 0.616 -1.609 -2.935 1.00 0.00 C ATOM 709 CD1 PHE A 270 0.474 -0.398 -3.589 1.00 0.00 C ATOM 710 CD2 PHE A 270 -0.369 -2.002 -2.044 1.00 0.00 C ATOM 711 CE1 PHE A 270 -0.628 0.403 -3.360 1.00 0.00 C ATOM 712 CE2 PHE A 270 -1.471 -1.206 -1.810 1.00 0.00 C ATOM 713 CZ PHE A 270 -1.602 -0.003 -2.470 1.00 0.00 C ATOM 0 H PHE A 270 1.480 -1.609 -5.991 1.00 0.00 H new ATOM 0 HA PHE A 270 2.663 -3.870 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 270 1.821 -3.282 -2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 270 2.718 -1.890 -3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 270 1.233 -0.075 -4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 270 -0.273 -2.944 -1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 270 -0.727 1.346 -3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 270 -2.230 -1.525 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 270 -2.465 0.621 -2.291 1.00 0.00 H new ATOM 723 N THR A 271 0.356 -4.935 -4.405 1.00 0.00 N ATOM 724 CA THR A 271 -0.893 -5.632 -4.599 1.00 0.00 C ATOM 725 C THR A 271 -1.343 -6.266 -3.290 1.00 0.00 C ATOM 726 O THR A 271 -0.891 -7.344 -2.907 1.00 0.00 O ATOM 727 CB THR A 271 -0.808 -6.683 -5.741 1.00 0.00 C ATOM 728 OG1 THR A 271 -2.049 -7.397 -5.846 1.00 0.00 O ATOM 729 CG2 THR A 271 0.341 -7.677 -5.536 1.00 0.00 C ATOM 0 H THR A 271 1.037 -5.438 -3.836 1.00 0.00 H new ATOM 0 HA THR A 271 -1.641 -4.902 -4.910 1.00 0.00 H new ATOM 0 HB THR A 271 -0.611 -6.138 -6.664 1.00 0.00 H new ATOM 0 HG1 THR A 271 -1.987 -8.056 -6.569 1.00 0.00 H new ATOM 0 HG21 THR A 271 0.357 -8.390 -6.361 1.00 0.00 H new ATOM 0 HG22 THR A 271 1.288 -7.137 -5.504 1.00 0.00 H new ATOM 0 HG23 THR A 271 0.197 -8.212 -4.597 1.00 0.00 H new ATOM 737 N ASN A 272 -2.207 -5.550 -2.587 1.00 0.00 N ATOM 738 CA ASN A 272 -2.775 -6.039 -1.340 1.00 0.00 C ATOM 739 C ASN A 272 -4.119 -6.687 -1.614 1.00 0.00 C ATOM 740 O ASN A 272 -5.068 -6.024 -2.038 1.00 0.00 O ATOM 741 CB ASN A 272 -2.933 -4.897 -0.330 1.00 0.00 C ATOM 742 CG ASN A 272 -1.705 -4.709 0.542 1.00 0.00 C ATOM 743 OD1 ASN A 272 -0.788 -3.966 0.199 1.00 0.00 O ATOM 744 ND2 ASN A 272 -1.683 -5.379 1.683 1.00 0.00 N ATOM 0 H ASN A 272 -2.532 -4.623 -2.861 1.00 0.00 H new ATOM 0 HA ASN A 272 -2.098 -6.778 -0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -3.138 -3.970 -0.866 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -3.797 -5.096 0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -0.886 -5.288 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -2.463 -5.986 1.933 1.00 0.00 H new ATOM 1061 N SER A 292 -4.145 -4.111 -7.469 1.00 0.00 N ATOM 1062 CA SER A 292 -2.714 -3.973 -7.680 1.00 0.00 C ATOM 1063 C SER A 292 -2.428 -2.648 -8.392 1.00 0.00 C ATOM 1064 O SER A 292 -2.968 -2.403 -9.472 1.00 0.00 O ATOM 1065 CB SER A 292 -2.189 -5.152 -8.509 1.00 0.00 C ATOM 1066 OG SER A 292 -2.950 -5.333 -9.692 1.00 0.00 O ATOM 0 HA SER A 292 -2.204 -3.975 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 292 -1.145 -4.979 -8.769 1.00 0.00 H new ATOM 0 HB3 SER A 292 -2.222 -6.063 -7.911 1.00 0.00 H new ATOM 0 HG SER A 292 -3.213 -4.459 -10.049 1.00 0.00 H new ATOM 1072 N PHE A 293 -1.611 -1.778 -7.795 1.00 0.00 N ATOM 1073 CA PHE A 293 -1.325 -0.486 -8.406 1.00 0.00 C ATOM 1074 C PHE A 293 -0.120 0.192 -7.765 1.00 0.00 C ATOM 1075 O PHE A 293 0.590 -0.411 -6.961 1.00 0.00 O ATOM 1076 CB PHE A 293 -2.555 0.430 -8.353 1.00 0.00 C ATOM 1077 CG PHE A 293 -3.056 0.767 -6.973 1.00 0.00 C ATOM 1078 CD1 PHE A 293 -2.723 1.975 -6.379 1.00 0.00 C ATOM 1079 CD2 PHE A 293 -3.877 -0.109 -6.282 1.00 0.00 C ATOM 1080 CE1 PHE A 293 -3.199 2.300 -5.125 1.00 0.00 C ATOM 1081 CE2 PHE A 293 -4.353 0.211 -5.025 1.00 0.00 C ATOM 1082 CZ PHE A 293 -4.014 1.417 -4.446 1.00 0.00 C ATOM 0 H PHE A 293 -1.144 -1.944 -6.903 1.00 0.00 H new ATOM 0 HA PHE A 293 -1.077 -0.672 -9.451 1.00 0.00 H new ATOM 0 HB2 PHE A 293 -2.316 1.359 -8.870 1.00 0.00 H new ATOM 0 HB3 PHE A 293 -3.364 -0.045 -8.908 1.00 0.00 H new ATOM 0 HD1 PHE A 293 -2.084 2.670 -6.904 1.00 0.00 H new ATOM 0 HD2 PHE A 293 -4.148 -1.053 -6.731 1.00 0.00 H new ATOM 0 HE1 PHE A 293 -2.934 3.245 -4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 293 -4.990 -0.482 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 293 -4.386 1.669 -3.464 1.00 0.00 H new ATOM 1092 N THR A 294 0.095 1.446 -8.134 1.00 0.00 N ATOM 1093 CA THR A 294 1.272 2.192 -7.724 1.00 0.00 C ATOM 1094 C THR A 294 1.053 2.920 -6.392 1.00 0.00 C ATOM 1095 O THR A 294 0.019 3.554 -6.183 1.00 0.00 O ATOM 1096 CB THR A 294 1.637 3.211 -8.828 1.00 0.00 C ATOM 1097 OG1 THR A 294 1.897 2.516 -10.054 1.00 0.00 O ATOM 1098 CG2 THR A 294 2.845 4.073 -8.460 1.00 0.00 C ATOM 0 H THR A 294 -0.544 1.975 -8.728 1.00 0.00 H new ATOM 0 HA THR A 294 2.089 1.485 -7.578 1.00 0.00 H new ATOM 0 HB THR A 294 0.786 3.882 -8.943 1.00 0.00 H new ATOM 0 HG1 THR A 294 2.127 3.162 -10.754 1.00 0.00 H new ATOM 0 HG21 THR A 294 3.056 4.770 -9.271 1.00 0.00 H new ATOM 0 HG22 THR A 294 2.630 4.631 -7.549 1.00 0.00 H new ATOM 0 HG23 THR A 294 3.712 3.433 -8.297 1.00 0.00 H new ATOM 1106 N ALA A 295 2.034 2.823 -5.500 1.00 0.00 N ATOM 1107 CA ALA A 295 1.996 3.527 -4.227 1.00 0.00 C ATOM 1108 C ALA A 295 3.153 4.512 -4.151 1.00 0.00 C ATOM 1109 O ALA A 295 3.989 4.550 -5.054 1.00 0.00 O ATOM 1110 CB ALA A 295 2.067 2.540 -3.080 1.00 0.00 C ATOM 0 H ALA A 295 2.871 2.258 -5.640 1.00 0.00 H new ATOM 0 HA ALA A 295 1.058 4.076 -4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 295 2.038 3.080 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 295 1.219 1.857 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 295 2.995 1.972 -3.145 1.00 0.00 H new ATOM 1116 N THR A 296 3.222 5.298 -3.087 1.00 0.00 N ATOM 1117 CA THR A 296 4.251 6.318 -2.990 1.00 0.00 C ATOM 1118 C THR A 296 4.990 6.289 -1.658 1.00 0.00 C ATOM 1119 O THR A 296 4.389 6.372 -0.583 1.00 0.00 O ATOM 1120 CB THR A 296 3.654 7.729 -3.224 1.00 0.00 C ATOM 1121 OG1 THR A 296 2.971 7.767 -4.485 1.00 0.00 O ATOM 1122 CG2 THR A 296 4.724 8.832 -3.189 1.00 0.00 C ATOM 0 H THR A 296 2.587 5.250 -2.290 1.00 0.00 H new ATOM 0 HA THR A 296 4.976 6.093 -3.772 1.00 0.00 H new ATOM 0 HB THR A 296 2.955 7.921 -2.410 1.00 0.00 H new ATOM 0 HG1 THR A 296 3.448 8.365 -5.097 1.00 0.00 H new ATOM 0 HG21 THR A 296 4.254 9.801 -3.358 1.00 0.00 H new ATOM 0 HG22 THR A 296 5.215 8.832 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 296 5.463 8.647 -3.968 1.00 0.00 H new ATOM 1130 N VAL A 297 6.309 6.191 -1.765 1.00 0.00 N ATOM 1131 CA VAL A 297 7.203 6.231 -0.624 1.00 0.00 C ATOM 1132 C VAL A 297 7.311 7.673 -0.137 1.00 0.00 C ATOM 1133 O VAL A 297 7.529 8.586 -0.933 1.00 0.00 O ATOM 1134 CB VAL A 297 8.600 5.695 -1.016 1.00 0.00 C ATOM 1135 CG1 VAL A 297 9.552 5.723 0.163 1.00 0.00 C ATOM 1136 CG2 VAL A 297 8.492 4.282 -1.573 1.00 0.00 C ATOM 0 H VAL A 297 6.789 6.080 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 297 6.808 5.600 0.173 1.00 0.00 H new ATOM 0 HB VAL A 297 9.002 6.349 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 297 10.525 5.340 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 297 9.661 6.748 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 297 9.155 5.101 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 297 9.484 3.921 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 297 8.060 3.625 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 297 7.854 4.287 -2.457 1.00 0.00 H new ATOM 1146 N THR A 298 7.139 7.893 1.159 1.00 0.00 N ATOM 1147 CA THR A 298 6.992 9.256 1.655 1.00 0.00 C ATOM 1148 C THR A 298 8.142 9.664 2.582 1.00 0.00 C ATOM 1149 O THR A 298 8.202 10.805 3.049 1.00 0.00 O ATOM 1150 CB THR A 298 5.640 9.418 2.387 1.00 0.00 C ATOM 1151 OG1 THR A 298 4.611 8.729 1.661 1.00 0.00 O ATOM 1152 CG2 THR A 298 5.253 10.885 2.521 1.00 0.00 C ATOM 0 H THR A 298 7.098 7.165 1.872 1.00 0.00 H new ATOM 0 HA THR A 298 7.019 9.917 0.789 1.00 0.00 H new ATOM 0 HB THR A 298 5.748 8.994 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 298 3.734 9.075 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 298 4.298 10.963 3.040 1.00 0.00 H new ATOM 0 HG22 THR A 298 6.019 11.413 3.089 1.00 0.00 H new ATOM 0 HG23 THR A 298 5.165 11.330 1.530 1.00 0.00 H new ATOM 1160 N ALA A 299 9.069 8.752 2.832 1.00 0.00 N ATOM 1161 CA ALA A 299 10.181 9.037 3.731 1.00 0.00 C ATOM 1162 C ALA A 299 11.334 8.079 3.496 1.00 0.00 C ATOM 1163 O ALA A 299 11.367 7.382 2.483 1.00 0.00 O ATOM 1164 CB ALA A 299 9.720 8.979 5.182 1.00 0.00 C ATOM 0 H ALA A 299 9.076 7.815 2.430 1.00 0.00 H new ATOM 0 HA ALA A 299 10.537 10.045 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 299 10.562 9.194 5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 299 8.935 9.717 5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 299 9.333 7.984 5.401 1.00 0.00 H new ATOM 1170 N ASP A 300 12.277 8.056 4.428 1.00 0.00 N ATOM 1171 CA ASP A 300 13.440 7.207 4.321 1.00 0.00 C ATOM 1172 C ASP A 300 13.035 5.753 4.403 1.00 0.00 C ATOM 1173 O ASP A 300 11.984 5.408 4.944 1.00 0.00 O ATOM 1174 CB ASP A 300 14.452 7.522 5.425 1.00 0.00 C ATOM 1175 CG ASP A 300 15.014 8.925 5.327 1.00 0.00 C ATOM 1176 OD1 ASP A 300 14.277 9.890 5.625 1.00 0.00 O ATOM 1177 OD2 ASP A 300 16.202 9.070 4.972 1.00 0.00 O1- ATOM 0 H ASP A 300 12.251 8.626 5.274 1.00 0.00 H new ATOM 0 HA ASP A 300 13.908 7.398 3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 300 13.974 7.395 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 300 15.271 6.804 5.376 1.00 0.00 H new ATOM 1182 N ALA A 301 13.887 4.915 3.876 1.00 0.00 N ATOM 1183 CA ALA A 301 13.642 3.486 3.831 1.00 0.00 C ATOM 1184 C ALA A 301 14.967 2.738 3.903 1.00 0.00 C ATOM 1185 O ALA A 301 16.026 3.366 3.936 1.00 0.00 O ATOM 1186 CB ALA A 301 12.855 3.131 2.575 1.00 0.00 C ATOM 0 H ALA A 301 14.775 5.198 3.463 1.00 0.00 H new ATOM 0 HA ALA A 301 13.041 3.185 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 301 12.676 2.056 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 301 11.901 3.658 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 301 13.425 3.425 1.693 1.00 0.00 H new ATOM 1192 N ASN A 302 14.922 1.413 3.926 1.00 0.00 N ATOM 1193 CA ASN A 302 16.120 0.620 4.182 1.00 0.00 C ATOM 1194 C ASN A 302 16.112 -0.677 3.370 1.00 0.00 C ATOM 1195 O ASN A 302 15.074 -1.310 3.240 1.00 0.00 O ATOM 1196 CB ASN A 302 16.159 0.278 5.675 1.00 0.00 C ATOM 1197 CG ASN A 302 17.502 -0.227 6.168 1.00 0.00 C ATOM 1198 OD1 ASN A 302 18.295 -0.798 5.422 1.00 0.00 O ATOM 1199 ND2 ASN A 302 17.758 -0.025 7.449 1.00 0.00 N ATOM 0 H ASN A 302 14.075 0.866 3.772 1.00 0.00 H new ATOM 0 HA ASN A 302 16.997 1.197 3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 302 15.887 1.166 6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 302 15.402 -0.478 5.882 1.00 0.00 H new ATOM 0 HD21 ASN A 302 18.639 -0.347 7.850 1.00 0.00 H new ATOM 0 HD22 ASN A 302 17.075 0.453 8.036 1.00 0.00 H new ATOM 1206 N SER A 303 17.247 -1.041 2.784 1.00 0.00 N ATOM 1207 CA SER A 303 17.445 -2.396 2.298 1.00 0.00 C ATOM 1208 C SER A 303 18.627 -3.007 3.042 1.00 0.00 C ATOM 1209 O SER A 303 19.783 -2.785 2.670 1.00 0.00 O ATOM 1210 CB SER A 303 17.729 -2.384 0.800 1.00 0.00 C ATOM 1211 OG SER A 303 17.298 -1.164 0.216 1.00 0.00 O ATOM 0 H SER A 303 18.040 -0.417 2.636 1.00 0.00 H new ATOM 0 HA SER A 303 16.544 -2.985 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 303 18.797 -2.519 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 303 17.220 -3.221 0.322 1.00 0.00 H new ATOM 0 HG SER A 303 16.446 -1.306 -0.247 1.00 0.00 H new ATOM 1217 N ASP A 304 18.350 -3.739 4.108 1.00 0.00 N ATOM 1218 CA ASP A 304 19.416 -4.268 4.947 1.00 0.00 C ATOM 1219 C ASP A 304 19.590 -5.764 4.727 1.00 0.00 C ATOM 1220 O ASP A 304 18.843 -6.369 3.965 1.00 0.00 O ATOM 1221 CB ASP A 304 19.141 -3.977 6.427 1.00 0.00 C ATOM 1222 CG ASP A 304 18.219 -4.993 7.073 1.00 0.00 C ATOM 1223 OD1 ASP A 304 17.013 -5.010 6.758 1.00 0.00 O ATOM 1224 OD2 ASP A 304 18.701 -5.776 7.919 1.00 0.00 O1- ATOM 0 H ASP A 304 17.407 -3.980 4.412 1.00 0.00 H new ATOM 0 HA ASP A 304 20.342 -3.769 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 304 20.087 -3.958 6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 304 18.700 -2.985 6.520 1.00 0.00 H new ATOM 1229 N SER A 305 20.566 -6.359 5.395 1.00 0.00 N ATOM 1230 CA SER A 305 20.847 -7.780 5.231 1.00 0.00 C ATOM 1231 C SER A 305 19.631 -8.625 5.604 1.00 0.00 C ATOM 1232 O SER A 305 19.386 -9.676 5.012 1.00 0.00 O ATOM 1233 CB SER A 305 22.037 -8.176 6.097 1.00 0.00 C ATOM 1234 OG SER A 305 22.507 -9.476 5.779 1.00 0.00 O ATOM 0 H SER A 305 21.178 -5.881 6.056 1.00 0.00 H new ATOM 0 HA SER A 305 21.083 -7.963 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 305 22.842 -7.454 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 305 21.751 -8.139 7.148 1.00 0.00 H new ATOM 0 HG SER A 305 23.271 -9.697 6.352 1.00 0.00 H new ATOM 1240 N GLY A 306 18.857 -8.140 6.566 1.00 0.00 N ATOM 1241 CA GLY A 306 17.680 -8.858 7.005 1.00 0.00 C ATOM 1242 C GLY A 306 16.512 -8.676 6.060 1.00 0.00 C ATOM 1243 O GLY A 306 15.409 -9.156 6.331 1.00 0.00 O ATOM 0 H GLY A 306 19.026 -7.259 7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 306 17.915 -9.919 7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 306 17.397 -8.514 8.000 1.00 0.00 H new ATOM 1247 N GLY A 307 16.755 -7.979 4.953 1.00 0.00 N ATOM 1248 CA GLY A 307 15.732 -7.796 3.944 1.00 0.00 C ATOM 1249 C GLY A 307 14.491 -7.087 4.457 1.00 0.00 C ATOM 1250 O GLY A 307 13.374 -7.499 4.149 1.00 0.00 O ATOM 0 H GLY A 307 17.648 -7.536 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 307 16.150 -7.225 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 307 15.446 -8.770 3.548 1.00 0.00 H new ATOM 1254 N ASP A 308 14.669 -6.046 5.257 1.00 0.00 N ATOM 1255 CA ASP A 308 13.535 -5.283 5.776 1.00 0.00 C ATOM 1256 C ASP A 308 13.549 -3.863 5.224 1.00 0.00 C ATOM 1257 O ASP A 308 14.576 -3.189 5.267 1.00 0.00 O ATOM 1258 CB ASP A 308 13.583 -5.246 7.302 1.00 0.00 C ATOM 1259 CG ASP A 308 12.443 -4.462 7.930 1.00 0.00 C ATOM 1260 OD1 ASP A 308 12.477 -3.209 7.915 1.00 0.00 O ATOM 1261 OD2 ASP A 308 11.524 -5.099 8.484 1.00 0.00 O1- ATOM 0 H ASP A 308 15.582 -5.709 5.562 1.00 0.00 H new ATOM 0 HA ASP A 308 12.615 -5.773 5.458 1.00 0.00 H new ATOM 0 HB2 ASP A 308 13.563 -6.267 7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 308 14.530 -4.808 7.616 1.00 0.00 H new ATOM 1266 N VAL A 309 12.411 -3.415 4.717 1.00 0.00 N ATOM 1267 CA VAL A 309 12.295 -2.072 4.155 1.00 0.00 C ATOM 1268 C VAL A 309 11.048 -1.359 4.686 1.00 0.00 C ATOM 1269 O VAL A 309 9.952 -1.519 4.169 1.00 0.00 O ATOM 1270 CB VAL A 309 12.292 -2.106 2.594 1.00 0.00 C ATOM 1271 CG1 VAL A 309 11.368 -3.179 2.038 1.00 0.00 C ATOM 1272 CG2 VAL A 309 11.939 -0.749 1.987 1.00 0.00 C ATOM 0 H VAL A 309 11.550 -3.961 4.682 1.00 0.00 H new ATOM 0 HA VAL A 309 13.171 -1.507 4.474 1.00 0.00 H new ATOM 0 HB VAL A 309 13.313 -2.356 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 309 11.403 -3.160 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 309 11.690 -4.157 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 309 10.348 -2.989 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 309 11.950 -0.823 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 309 10.946 -0.449 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 309 12.669 -0.006 2.307 1.00 0.00 H new ATOM 1282 N THR A 310 11.220 -0.573 5.730 1.00 0.00 N ATOM 1283 CA THR A 310 10.093 0.092 6.366 1.00 0.00 C ATOM 1284 C THR A 310 9.992 1.561 5.952 1.00 0.00 C ATOM 1285 O THR A 310 10.971 2.306 6.040 1.00 0.00 O ATOM 1286 CB THR A 310 10.220 0.000 7.908 1.00 0.00 C ATOM 1287 OG1 THR A 310 10.169 -1.373 8.319 1.00 0.00 O ATOM 1288 CG2 THR A 310 9.128 0.800 8.639 1.00 0.00 C ATOM 0 H THR A 310 12.125 -0.377 6.157 1.00 0.00 H new ATOM 0 HA THR A 310 9.187 -0.417 6.037 1.00 0.00 H new ATOM 0 HB THR A 310 11.180 0.439 8.179 1.00 0.00 H new ATOM 0 HG1 THR A 310 11.018 -1.811 8.101 1.00 0.00 H new ATOM 0 HG21 THR A 310 9.264 0.701 9.716 1.00 0.00 H new ATOM 0 HG22 THR A 310 9.198 1.851 8.359 1.00 0.00 H new ATOM 0 HG23 THR A 310 8.147 0.415 8.360 1.00 0.00 H new ATOM 1296 N VAL A 311 8.806 1.962 5.504 1.00 0.00 N ATOM 1297 CA VAL A 311 8.532 3.366 5.178 1.00 0.00 C ATOM 1298 C VAL A 311 7.024 3.604 5.121 1.00 0.00 C ATOM 1299 O VAL A 311 6.252 2.694 4.823 1.00 0.00 O ATOM 1300 CB VAL A 311 9.170 3.780 3.823 1.00 0.00 C ATOM 1301 CG1 VAL A 311 8.636 2.897 2.684 1.00 0.00 C ATOM 1302 CG2 VAL A 311 8.905 5.262 3.520 1.00 0.00 C ATOM 0 H VAL A 311 8.014 1.336 5.357 1.00 0.00 H new ATOM 0 HA VAL A 311 8.977 3.977 5.963 1.00 0.00 H new ATOM 0 HB VAL A 311 10.248 3.636 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 311 9.094 3.201 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 311 8.881 1.854 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 311 7.554 3.008 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 311 9.362 5.526 2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 311 7.830 5.436 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 311 9.334 5.877 4.311 1.00 0.00 H new ATOM 1312 N THR A 312 6.611 4.819 5.433 1.00 0.00 N ATOM 1313 CA THR A 312 5.214 5.189 5.358 1.00 0.00 C ATOM 1314 C THR A 312 4.859 5.664 3.950 1.00 0.00 C ATOM 1315 O THR A 312 5.682 6.269 3.257 1.00 0.00 O ATOM 1316 CB THR A 312 4.907 6.307 6.386 1.00 0.00 C ATOM 1317 OG1 THR A 312 5.094 5.808 7.712 1.00 0.00 O ATOM 1318 CG2 THR A 312 3.488 6.898 6.244 1.00 0.00 C ATOM 0 H THR A 312 7.229 5.569 5.742 1.00 0.00 H new ATOM 0 HA THR A 312 4.610 4.312 5.591 1.00 0.00 H new ATOM 0 HB THR A 312 5.604 7.120 6.182 1.00 0.00 H new ATOM 0 HG1 THR A 312 4.237 5.811 8.187 1.00 0.00 H new ATOM 0 HG21 THR A 312 3.341 7.675 6.994 1.00 0.00 H new ATOM 0 HG22 THR A 312 3.371 7.327 5.249 1.00 0.00 H new ATOM 0 HG23 THR A 312 2.749 6.110 6.388 1.00 0.00 H new ATOM 1326 N LEU A 313 3.632 5.379 3.540 1.00 0.00 N ATOM 1327 CA LEU A 313 3.153 5.718 2.216 1.00 0.00 C ATOM 1328 C LEU A 313 1.935 6.625 2.304 1.00 0.00 C ATOM 1329 O LEU A 313 1.257 6.672 3.332 1.00 0.00 O ATOM 1330 CB LEU A 313 2.805 4.448 1.444 1.00 0.00 C ATOM 1331 CG LEU A 313 3.984 3.507 1.196 1.00 0.00 C ATOM 1332 CD1 LEU A 313 4.172 2.541 2.351 1.00 0.00 C ATOM 1333 CD2 LEU A 313 3.819 2.752 -0.110 1.00 0.00 C ATOM 0 H LEU A 313 2.941 4.904 4.121 1.00 0.00 H new ATOM 0 HA LEU A 313 3.944 6.250 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 313 2.034 3.906 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 313 2.374 4.730 0.483 1.00 0.00 H new ATOM 0 HG LEU A 313 4.881 4.122 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 313 5.018 1.886 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 313 4.363 3.101 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 313 3.270 1.941 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 313 4.673 2.091 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 313 2.904 2.161 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 313 3.761 3.461 -0.936 1.00 0.00 H new ATOM 1345 N SER A 314 1.659 7.345 1.228 1.00 0.00 N ATOM 1346 CA SER A 314 0.539 8.272 1.204 1.00 0.00 C ATOM 1347 C SER A 314 -0.208 8.200 -0.125 1.00 0.00 C ATOM 1348 O SER A 314 0.403 8.294 -1.192 1.00 0.00 O ATOM 1349 CB SER A 314 1.041 9.700 1.434 1.00 0.00 C ATOM 1350 OG SER A 314 1.834 9.786 2.607 1.00 0.00 O ATOM 0 H SER A 314 2.195 7.305 0.361 1.00 0.00 H new ATOM 0 HA SER A 314 -0.150 7.991 2.001 1.00 0.00 H new ATOM 0 HB2 SER A 314 1.625 10.025 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 314 0.191 10.377 1.517 1.00 0.00 H new ATOM 0 HG SER A 314 2.141 10.709 2.727 1.00 0.00 H new ATOM 1632 N VAL A 333 -6.924 -4.369 7.630 1.00 0.00 N ATOM 1633 CA VAL A 333 -5.910 -4.564 6.604 1.00 0.00 C ATOM 1634 C VAL A 333 -4.916 -5.625 7.058 1.00 0.00 C ATOM 1635 O VAL A 333 -4.451 -5.598 8.198 1.00 0.00 O ATOM 1636 CB VAL A 333 -5.170 -3.250 6.270 1.00 0.00 C ATOM 1637 CG1 VAL A 333 -6.061 -2.333 5.445 1.00 0.00 C ATOM 1638 CG2 VAL A 333 -4.720 -2.540 7.541 1.00 0.00 C ATOM 0 HA VAL A 333 -6.412 -4.897 5.696 1.00 0.00 H new ATOM 0 HB VAL A 333 -4.285 -3.501 5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -5.524 -1.412 5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -6.335 -2.832 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -6.963 -2.098 6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -4.202 -1.618 7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -5.590 -2.305 8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -4.046 -3.188 8.101 1.00 0.00 H new ATOM 1648 N GLU A 334 -4.618 -6.570 6.184 1.00 0.00 N ATOM 1649 CA GLU A 334 -3.747 -7.683 6.533 1.00 0.00 C ATOM 1650 C GLU A 334 -2.395 -7.578 5.837 1.00 0.00 C ATOM 1651 O GLU A 334 -2.226 -6.831 4.870 1.00 0.00 O ATOM 1652 CB GLU A 334 -4.401 -9.025 6.177 1.00 0.00 C ATOM 1653 CG GLU A 334 -4.626 -9.237 4.686 1.00 0.00 C ATOM 1654 CD GLU A 334 -5.864 -8.530 4.171 1.00 0.00 C ATOM 1655 OE1 GLU A 334 -6.922 -9.190 4.049 1.00 0.00 O ATOM 1656 OE2 GLU A 334 -5.783 -7.320 3.888 1.00 0.00 O1- ATOM 0 H GLU A 334 -4.966 -6.591 5.225 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.587 -7.635 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -3.775 -9.833 6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -5.360 -9.096 6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -3.755 -8.879 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -4.713 -10.305 4.485 1.00 0.00 H new ATOM 1663 N ALA A 335 -1.433 -8.325 6.359 1.00 0.00 N ATOM 1664 CA ALA A 335 -0.099 -8.391 5.791 1.00 0.00 C ATOM 1665 C ALA A 335 0.066 -9.638 4.928 1.00 0.00 C ATOM 1666 O ALA A 335 -0.787 -10.528 4.936 1.00 0.00 O ATOM 1667 CB ALA A 335 0.936 -8.394 6.902 1.00 0.00 C ATOM 0 H ALA A 335 -1.558 -8.903 7.190 1.00 0.00 H new ATOM 0 HA ALA A 335 0.047 -7.514 5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.935 -8.444 6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 335 0.841 -7.481 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 335 0.776 -9.259 7.546 1.00 0.00 H new ATOM 1673 N GLY A 336 1.169 -9.702 4.194 1.00 0.00 N ATOM 1674 CA GLY A 336 1.508 -10.907 3.457 1.00 0.00 C ATOM 1675 C GLY A 336 1.396 -10.747 1.954 1.00 0.00 C ATOM 1676 O GLY A 336 1.469 -11.731 1.216 1.00 0.00 O ATOM 0 H GLY A 336 1.838 -8.939 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 336 2.527 -11.203 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 336 0.853 -11.717 3.778 1.00 0.00 H new ATOM 1680 N ASP A 337 1.230 -9.518 1.495 1.00 0.00 N ATOM 1681 CA ASP A 337 1.029 -9.255 0.075 1.00 0.00 C ATOM 1682 C ASP A 337 2.335 -8.878 -0.622 1.00 0.00 C ATOM 1683 O ASP A 337 3.400 -8.870 0.002 1.00 0.00 O ATOM 1684 CB ASP A 337 -0.027 -8.170 -0.102 1.00 0.00 C ATOM 1685 CG ASP A 337 -1.406 -8.674 0.276 1.00 0.00 C ATOM 1686 OD1 ASP A 337 -1.850 -8.430 1.415 1.00 0.00 O ATOM 1687 OD2 ASP A 337 -2.046 -9.343 -0.565 1.00 0.00 O1- ATOM 0 H ASP A 337 1.230 -8.685 2.083 1.00 0.00 H new ATOM 0 HA ASP A 337 0.676 -10.171 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 337 0.228 -7.308 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 337 -0.033 -7.831 -1.138 1.00 0.00 H new ATOM 1692 N ALA A 338 2.250 -8.562 -1.915 1.00 0.00 N ATOM 1693 CA ALA A 338 3.444 -8.394 -2.745 1.00 0.00 C ATOM 1694 C ALA A 338 3.691 -6.934 -3.127 1.00 0.00 C ATOM 1695 O ALA A 338 2.757 -6.134 -3.219 1.00 0.00 O ATOM 1696 CB ALA A 338 3.333 -9.252 -3.998 1.00 0.00 C ATOM 0 H ALA A 338 1.370 -8.418 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 338 4.298 -8.719 -2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 338 4.226 -9.120 -4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 338 3.239 -10.300 -3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 338 2.455 -8.950 -4.569 1.00 0.00 H new ATOM 1702 N VAL A 339 4.962 -6.617 -3.373 1.00 0.00 N ATOM 1703 CA VAL A 339 5.409 -5.252 -3.653 1.00 0.00 C ATOM 1704 C VAL A 339 6.396 -5.235 -4.832 1.00 0.00 C ATOM 1705 O VAL A 339 6.998 -6.256 -5.156 1.00 0.00 O ATOM 1706 CB VAL A 339 6.097 -4.654 -2.385 1.00 0.00 C ATOM 1707 CG1 VAL A 339 6.753 -3.307 -2.666 1.00 0.00 C ATOM 1708 CG2 VAL A 339 5.089 -4.497 -1.264 1.00 0.00 C ATOM 0 H VAL A 339 5.716 -7.304 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 339 4.540 -4.649 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 339 6.878 -5.353 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 339 7.218 -2.931 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 339 7.513 -3.426 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 339 5.998 -2.599 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 339 5.583 -4.079 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 339 4.290 -3.828 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 339 4.668 -5.471 -1.014 1.00 0.00 H new ATOM 1718 N SER A 340 6.523 -4.086 -5.489 1.00 0.00 N ATOM 1719 CA SER A 340 7.532 -3.869 -6.516 1.00 0.00 C ATOM 1720 C SER A 340 7.794 -2.366 -6.650 1.00 0.00 C ATOM 1721 O SER A 340 7.197 -1.570 -5.928 1.00 0.00 O ATOM 1722 CB SER A 340 7.093 -4.469 -7.854 1.00 0.00 C ATOM 1723 OG SER A 340 8.208 -4.643 -8.715 1.00 0.00 O ATOM 0 H SER A 340 5.925 -3.277 -5.322 1.00 0.00 H new ATOM 0 HA SER A 340 8.454 -4.371 -6.224 1.00 0.00 H new ATOM 0 HB2 SER A 340 6.604 -5.429 -7.685 1.00 0.00 H new ATOM 0 HB3 SER A 340 6.360 -3.817 -8.328 1.00 0.00 H new ATOM 0 HG SER A 340 8.991 -4.907 -8.187 1.00 0.00 H new ATOM 1729 N VAL A 341 8.697 -1.975 -7.543 1.00 0.00 N ATOM 1730 CA VAL A 341 9.091 -0.573 -7.670 1.00 0.00 C ATOM 1731 C VAL A 341 8.709 0.007 -9.033 1.00 0.00 C ATOM 1732 O VAL A 341 8.946 -0.606 -10.075 1.00 0.00 O ATOM 1733 CB VAL A 341 10.615 -0.406 -7.453 1.00 0.00 C ATOM 1734 CG1 VAL A 341 11.059 1.023 -7.741 1.00 0.00 C ATOM 1735 CG2 VAL A 341 11.000 -0.805 -6.036 1.00 0.00 C ATOM 0 H VAL A 341 9.170 -2.607 -8.189 1.00 0.00 H new ATOM 0 HA VAL A 341 8.551 -0.024 -6.898 1.00 0.00 H new ATOM 0 HB VAL A 341 11.127 -1.066 -8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 341 12.134 1.110 -7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 341 10.826 1.275 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 341 10.536 1.708 -7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 341 12.075 -0.681 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 341 10.470 -0.173 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 341 10.731 -1.848 -5.866 1.00 0.00 H new ATOM 1745 N VAL A 342 8.109 1.196 -9.004 1.00 0.00 N ATOM 1746 CA VAL A 342 7.757 1.921 -10.223 1.00 0.00 C ATOM 1747 C VAL A 342 8.833 2.949 -10.576 1.00 0.00 C ATOM 1748 O VAL A 342 9.243 3.062 -11.732 1.00 0.00 O ATOM 1749 CB VAL A 342 6.390 2.629 -10.082 1.00 0.00 C ATOM 1750 CG1 VAL A 342 6.099 3.507 -11.296 1.00 0.00 C ATOM 1751 CG2 VAL A 342 5.284 1.599 -9.904 1.00 0.00 C ATOM 0 H VAL A 342 7.855 1.680 -8.143 1.00 0.00 H new ATOM 0 HA VAL A 342 7.687 1.188 -11.026 1.00 0.00 H new ATOM 0 HB VAL A 342 6.428 3.270 -9.201 1.00 0.00 H new ATOM 0 HG11 VAL A 342 5.131 3.993 -11.170 1.00 0.00 H new ATOM 0 HG12 VAL A 342 6.876 4.265 -11.391 1.00 0.00 H new ATOM 0 HG13 VAL A 342 6.081 2.891 -12.195 1.00 0.00 H new ATOM 0 HG21 VAL A 342 4.325 2.108 -9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 342 5.258 0.940 -10.772 1.00 0.00 H new ATOM 0 HG23 VAL A 342 5.476 1.010 -9.007 1.00 0.00 H new