USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 307 hydrogens (4 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 NoAdj-H: B 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 261 THR OG1 : rot 150:sc= -0.56 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.693 X(o=-1.3,f=-1.5!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -1.27 K(o=-1.3,f=-1.8) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 135:sc= -0.696! USER MOD Single : A 247 GLN : amide:sc= -0.285 K(o=-0.29,f=-7.2!) USER MOD Single : A 249 GLN : amide:sc= -2.42! C(o=-2.4!,f=-2.4!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0.993 USER MOD Single : A 254 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.16) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : B 210 SER OG : rot -33:sc= 0.249 USER MOD Single : B 217 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -11.852 6.006 -4.785 1.00 15.00 N ATOM 2 CA GLU A 235 -11.127 6.088 -3.498 1.00 15.00 C ATOM 3 C GLU A 235 -10.965 4.707 -2.879 1.00 15.00 C ATOM 4 O GLU A 235 -11.468 3.718 -3.410 1.00 15.00 O ATOM 5 CB GLU A 235 -11.855 7.029 -2.523 1.00 15.00 C ATOM 6 CG GLU A 235 -13.373 7.074 -2.685 1.00 15.00 C ATOM 7 CD GLU A 235 -14.050 5.730 -2.511 1.00 15.00 C ATOM 8 OE1 GLU A 235 -14.195 5.008 -3.521 1.00 15.00 O1- ATOM 9 OE2 GLU A 235 -14.456 5.402 -1.376 1.00 15.00 O ATOM 0 HA GLU A 235 -10.135 6.494 -3.696 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -11.622 6.723 -1.503 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -11.461 8.037 -2.651 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -13.785 7.774 -1.958 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -13.611 7.464 -3.674 1.00 15.00 H new ATOM 18 N LEU A 236 -10.254 4.645 -1.763 1.00 15.00 N ATOM 19 CA LEU A 236 -10.044 3.390 -1.060 1.00 15.00 C ATOM 20 C LEU A 236 -10.940 3.355 0.164 1.00 15.00 C ATOM 21 O LEU A 236 -11.559 4.359 0.509 1.00 15.00 O ATOM 22 CB LEU A 236 -8.583 3.248 -0.589 1.00 15.00 C ATOM 23 CG LEU A 236 -7.506 3.814 -1.514 1.00 15.00 C ATOM 24 CD1 LEU A 236 -6.127 3.596 -0.916 1.00 15.00 C ATOM 25 CD2 LEU A 236 -7.588 3.187 -2.894 1.00 15.00 C ATOM 0 H LEU A 236 -9.812 5.453 -1.324 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.276 2.575 -1.745 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.489 3.736 0.381 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.377 2.189 -0.434 1.00 15.00 H new ATOM 0 HG LEU A 236 -7.678 4.885 -1.618 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -5.371 4.004 -1.587 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -6.065 4.098 0.049 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -5.954 2.528 -0.781 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.811 3.608 -3.532 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.447 2.109 -2.813 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -8.566 3.393 -3.330 1.00 15.00 H new ATOM 37 N PRO A 237 -11.037 2.203 0.832 1.00 15.00 N ATOM 38 CA PRO A 237 -11.556 2.152 2.194 1.00 15.00 C ATOM 39 C PRO A 237 -10.567 2.808 3.142 1.00 15.00 C ATOM 40 O PRO A 237 -9.373 2.897 2.852 1.00 15.00 O ATOM 41 CB PRO A 237 -11.678 0.651 2.492 1.00 15.00 C ATOM 42 CG PRO A 237 -11.559 -0.036 1.171 1.00 15.00 C ATOM 43 CD PRO A 237 -10.728 0.864 0.305 1.00 15.00 C ATOM 0 HA PRO A 237 -12.505 2.675 2.312 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -10.895 0.323 3.176 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.632 0.423 2.967 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.089 -1.013 1.281 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.541 -0.203 0.729 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.666 0.634 0.385 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.996 0.772 -0.748 1.00 15.00 H new ATOM 51 N GLU A 238 -11.059 3.256 4.270 1.00 15.00 N ATOM 52 CA GLU A 238 -10.245 4.028 5.193 1.00 15.00 C ATOM 53 C GLU A 238 -9.175 3.162 5.850 1.00 15.00 C ATOM 54 O GLU A 238 -9.368 1.966 6.076 1.00 15.00 O ATOM 55 CB GLU A 238 -11.115 4.679 6.271 1.00 15.00 C ATOM 56 CG GLU A 238 -11.989 5.817 5.760 1.00 15.00 C ATOM 57 CD GLU A 238 -13.144 5.344 4.900 1.00 15.00 C ATOM 58 OE1 GLU A 238 -14.097 4.755 5.451 1.00 15.00 O ATOM 59 OE2 GLU A 238 -13.109 5.563 3.670 1.00 15.00 O1- ATOM 0 H GLU A 238 -12.020 3.102 4.577 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.750 4.808 4.614 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -11.754 3.917 6.717 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -10.470 5.058 7.064 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -12.382 6.374 6.610 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -11.374 6.508 5.183 1.00 15.00 H new ATOM 66 N GLY A 239 -8.057 3.794 6.169 1.00 15.00 N ATOM 67 CA GLY A 239 -6.957 3.099 6.800 1.00 15.00 C ATOM 68 C GLY A 239 -5.844 2.718 5.840 1.00 15.00 C ATOM 69 O GLY A 239 -4.793 2.241 6.269 1.00 15.00 O ATOM 0 H GLY A 239 -7.892 4.786 6.000 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.545 3.729 7.588 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.336 2.196 7.279 1.00 15.00 H new ATOM 73 N TYR A 240 -6.056 2.916 4.546 1.00 15.00 N ATOM 74 CA TYR A 240 -5.018 2.611 3.563 1.00 15.00 C ATOM 75 C TYR A 240 -4.147 3.830 3.301 1.00 15.00 C ATOM 76 O TYR A 240 -4.615 4.838 2.770 1.00 15.00 O ATOM 77 CB TYR A 240 -5.630 2.118 2.238 1.00 15.00 C ATOM 78 CG TYR A 240 -6.291 0.764 2.347 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.536 -0.378 2.559 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.668 0.633 2.268 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.135 -1.617 2.689 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.277 -0.597 2.403 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.508 -1.721 2.616 1.00 15.00 C ATOM 84 OH TYR A 240 -8.112 -2.950 2.751 1.00 15.00 O ATOM 0 H TYR A 240 -6.924 3.281 4.153 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.401 1.814 3.978 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.365 2.846 1.893 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.848 2.072 1.480 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.461 -0.299 2.624 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.275 1.510 2.098 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.531 -2.498 2.847 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.352 -0.679 2.342 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.084 -2.847 2.676 1.00 15.00 H new ATOM 94 N GLU A 241 -2.890 3.743 3.700 1.00 15.00 N ATOM 95 CA GLU A 241 -1.921 4.786 3.418 1.00 15.00 C ATOM 96 C GLU A 241 -1.204 4.469 2.117 1.00 15.00 C ATOM 97 O GLU A 241 -0.550 3.436 2.000 1.00 15.00 O ATOM 98 CB GLU A 241 -0.892 4.892 4.546 1.00 15.00 C ATOM 99 CG GLU A 241 -1.494 5.131 5.917 1.00 15.00 C ATOM 100 CD GLU A 241 -2.358 6.372 5.968 1.00 15.00 C ATOM 101 OE1 GLU A 241 -1.848 7.473 5.663 1.00 15.00 O1- ATOM 102 OE2 GLU A 241 -3.550 6.252 6.310 1.00 15.00 O ATOM 0 H GLU A 241 -2.515 2.953 4.225 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.449 5.736 3.335 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.305 3.974 4.574 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -0.202 5.704 4.318 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -2.092 4.265 6.203 1.00 15.00 H new ATOM 0 HG3 GLU A 241 -0.693 5.221 6.650 1.00 15.00 H new ATOM 109 N GLN A 242 -1.334 5.331 1.134 1.00 15.00 N ATOM 110 CA GLN A 242 -0.624 5.132 -0.114 1.00 15.00 C ATOM 111 C GLN A 242 0.730 5.813 -0.031 1.00 15.00 C ATOM 112 O GLN A 242 0.817 7.042 -0.012 1.00 15.00 O ATOM 113 CB GLN A 242 -1.448 5.659 -1.301 1.00 15.00 C ATOM 114 CG GLN A 242 -0.884 5.294 -2.672 1.00 15.00 C ATOM 115 CD GLN A 242 0.239 6.211 -3.124 1.00 15.00 C ATOM 116 OE1 GLN A 242 0.267 7.393 -2.790 1.00 15.00 O ATOM 117 NE2 GLN A 242 1.176 5.667 -3.882 1.00 15.00 N ATOM 0 H GLN A 242 -1.917 6.167 1.170 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.471 4.066 -0.279 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.463 5.270 -1.224 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.516 6.744 -1.227 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.517 4.268 -2.645 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.688 5.325 -3.408 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.117 4.681 -4.138 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.958 6.233 -4.211 1.00 15.00 H new ATOM 126 N ARG A 243 1.783 5.017 0.074 1.00 15.00 N ATOM 127 CA ARG A 243 3.130 5.557 0.119 1.00 15.00 C ATOM 128 C ARG A 243 3.852 5.387 -1.198 1.00 15.00 C ATOM 129 O ARG A 243 3.633 4.431 -1.948 1.00 15.00 O ATOM 130 CB ARG A 243 3.968 4.955 1.248 1.00 15.00 C ATOM 131 CG ARG A 243 3.874 5.722 2.550 1.00 15.00 C ATOM 132 CD ARG A 243 4.792 5.129 3.607 1.00 15.00 C ATOM 133 NE ARG A 243 6.131 4.863 3.077 1.00 15.00 N ATOM 134 CZ ARG A 243 7.232 5.523 3.440 1.00 15.00 C ATOM 135 NH1 ARG A 243 7.164 6.502 4.341 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 8.403 5.201 2.902 1.00 15.00 N ATOM 0 H ARG A 243 1.730 4.000 0.129 1.00 15.00 H new ATOM 0 HA ARG A 243 3.011 6.622 0.318 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.648 3.927 1.418 1.00 15.00 H new ATOM 0 HB3 ARG A 243 5.011 4.916 0.934 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.138 6.766 2.380 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.845 5.708 2.909 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.865 5.815 4.451 1.00 15.00 H new ATOM 0 HD3 ARG A 243 4.360 4.202 3.985 1.00 15.00 H new ATOM 0 HE ARG A 243 6.228 4.122 2.383 1.00 15.00 H new ATOM 0 HH11 ARG A 243 6.267 6.751 4.757 1.00 15.00 H new ATOM 0 HH12 ARG A 243 8.009 7.003 4.615 1.00 15.00 H new ATOM 0 HH21 ARG A 243 8.459 4.451 2.213 1.00 15.00 H new ATOM 0 HH22 ARG A 243 9.246 5.704 3.178 1.00 15.00 H new ATOM 150 N THR A 244 4.735 6.326 -1.435 1.00 15.00 N ATOM 151 CA THR A 244 5.532 6.383 -2.639 1.00 15.00 C ATOM 152 C THR A 244 6.984 6.097 -2.296 1.00 15.00 C ATOM 153 O THR A 244 7.442 6.432 -1.201 1.00 15.00 O ATOM 154 CB THR A 244 5.421 7.772 -3.295 1.00 15.00 C ATOM 155 OG1 THR A 244 5.665 8.788 -2.310 1.00 15.00 O ATOM 156 CG2 THR A 244 4.046 7.978 -3.915 1.00 15.00 C ATOM 0 H THR A 244 4.925 7.088 -0.784 1.00 15.00 H new ATOM 0 HA THR A 244 5.164 5.635 -3.341 1.00 15.00 H new ATOM 0 HB THR A 244 6.166 7.838 -4.088 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.596 9.672 -2.728 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.997 8.967 -4.371 1.00 15.00 H new ATOM 0 HG22 THR A 244 3.873 7.218 -4.677 1.00 15.00 H new ATOM 0 HG23 THR A 244 3.282 7.896 -3.142 1.00 15.00 H new ATOM 164 N THR A 245 7.705 5.489 -3.216 1.00 15.00 N ATOM 165 CA THR A 245 9.068 5.079 -2.951 1.00 15.00 C ATOM 166 C THR A 245 9.934 5.211 -4.198 1.00 15.00 C ATOM 167 O THR A 245 9.436 5.107 -5.325 1.00 15.00 O ATOM 168 CB THR A 245 9.122 3.629 -2.418 1.00 15.00 C ATOM 169 OG1 THR A 245 10.480 3.221 -2.219 1.00 15.00 O ATOM 170 CG2 THR A 245 8.431 2.666 -3.373 1.00 15.00 C ATOM 0 H THR A 245 7.369 5.268 -4.154 1.00 15.00 H new ATOM 0 HA THR A 245 9.464 5.744 -2.183 1.00 15.00 H new ATOM 0 HB THR A 245 8.596 3.606 -1.464 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.562 2.767 -1.354 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.485 1.654 -2.972 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.386 2.955 -3.489 1.00 15.00 H new ATOM 0 HG23 THR A 245 8.926 2.698 -4.344 1.00 15.00 H new ATOM 178 N VAL A 246 11.222 5.471 -3.978 1.00 15.00 N ATOM 179 CA VAL A 246 12.217 5.585 -5.045 1.00 15.00 C ATOM 180 C VAL A 246 12.162 4.385 -5.982 1.00 15.00 C ATOM 181 O VAL A 246 12.514 4.473 -7.159 1.00 15.00 O ATOM 182 CB VAL A 246 13.633 5.691 -4.447 1.00 15.00 C ATOM 183 CG1 VAL A 246 14.071 4.375 -3.818 1.00 15.00 C ATOM 184 CG2 VAL A 246 14.634 6.158 -5.491 1.00 15.00 C ATOM 0 H VAL A 246 11.609 5.610 -3.044 1.00 15.00 H new ATOM 0 HA VAL A 246 11.987 6.486 -5.613 1.00 15.00 H new ATOM 0 HB VAL A 246 13.600 6.439 -3.655 1.00 15.00 H new ATOM 0 HG11 VAL A 246 15.074 4.485 -3.406 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.379 4.105 -3.021 1.00 15.00 H new ATOM 0 HG13 VAL A 246 14.074 3.592 -4.577 1.00 15.00 H new ATOM 0 HG21 VAL A 246 15.625 6.224 -5.041 1.00 15.00 H new ATOM 0 HG22 VAL A 246 14.657 5.447 -6.317 1.00 15.00 H new ATOM 0 HG23 VAL A 246 14.339 7.139 -5.865 1.00 15.00 H new ATOM 194 N GLN A 247 11.705 3.269 -5.430 1.00 15.00 N ATOM 195 CA GLN A 247 11.536 2.022 -6.176 1.00 15.00 C ATOM 196 C GLN A 247 10.679 2.230 -7.430 1.00 15.00 C ATOM 197 O GLN A 247 10.714 1.426 -8.360 1.00 15.00 O ATOM 198 CB GLN A 247 10.891 0.958 -5.279 1.00 15.00 C ATOM 199 CG GLN A 247 11.538 0.824 -3.911 1.00 15.00 C ATOM 200 CD GLN A 247 13.008 0.432 -3.968 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.719 0.728 -4.929 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.479 -0.220 -2.921 1.00 15.00 N ATOM 0 H GLN A 247 11.439 3.199 -4.448 1.00 15.00 H new ATOM 0 HA GLN A 247 12.523 1.686 -6.492 1.00 15.00 H new ATOM 0 HB2 GLN A 247 9.836 1.200 -5.148 1.00 15.00 H new ATOM 0 HB3 GLN A 247 10.937 -0.006 -5.786 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.443 1.771 -3.379 1.00 15.00 H new ATOM 0 HG3 GLN A 247 10.994 0.078 -3.332 1.00 15.00 H new ATOM 0 HE21 GLN A 247 12.861 -0.449 -2.142 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.461 -0.495 -2.891 1.00 15.00 H new ATOM 211 N GLY A 248 9.886 3.297 -7.429 1.00 15.00 N ATOM 212 CA GLY A 248 9.057 3.621 -8.577 1.00 15.00 C ATOM 213 C GLY A 248 7.777 2.821 -8.590 1.00 15.00 C ATOM 214 O GLY A 248 7.176 2.591 -9.640 1.00 15.00 O ATOM 0 H GLY A 248 9.802 3.948 -6.648 1.00 15.00 H new ATOM 0 HA2 GLY A 248 8.820 4.685 -8.565 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.615 3.429 -9.494 1.00 15.00 H new ATOM 218 N GLN A 249 7.359 2.393 -7.408 1.00 15.00 N ATOM 219 CA GLN A 249 6.197 1.534 -7.273 1.00 15.00 C ATOM 220 C GLN A 249 5.265 2.094 -6.213 1.00 15.00 C ATOM 221 O GLN A 249 5.715 2.539 -5.156 1.00 15.00 O ATOM 222 CB GLN A 249 6.628 0.117 -6.880 1.00 15.00 C ATOM 223 CG GLN A 249 8.097 -0.161 -7.122 1.00 15.00 C ATOM 224 CD GLN A 249 8.523 -1.561 -6.730 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.468 -2.486 -7.538 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.966 -1.725 -5.490 1.00 15.00 N ATOM 0 H GLN A 249 7.812 2.629 -6.525 1.00 15.00 H new ATOM 0 HA GLN A 249 5.677 1.494 -8.230 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.406 -0.041 -5.825 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.033 -0.603 -7.442 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.318 -0.005 -8.178 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.692 0.561 -6.562 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.996 -0.931 -4.850 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.277 -2.645 -5.177 1.00 15.00 H new ATOM 235 N VAL A 250 3.975 2.055 -6.490 1.00 15.00 N ATOM 236 CA VAL A 250 2.978 2.481 -5.520 1.00 15.00 C ATOM 237 C VAL A 250 2.562 1.291 -4.669 1.00 15.00 C ATOM 238 O VAL A 250 2.304 0.206 -5.190 1.00 15.00 O ATOM 239 CB VAL A 250 1.728 3.091 -6.202 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.068 4.410 -6.870 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.126 2.128 -7.219 1.00 15.00 C ATOM 0 H VAL A 250 3.591 1.733 -7.378 1.00 15.00 H new ATOM 0 HA VAL A 250 3.427 3.255 -4.898 1.00 15.00 H new ATOM 0 HB VAL A 250 0.986 3.273 -5.424 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.175 4.820 -7.342 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.438 5.112 -6.122 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.836 4.248 -7.626 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.251 2.586 -7.680 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.865 1.902 -7.988 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.832 1.206 -6.717 1.00 15.00 H new ATOM 251 N TYR A 251 2.530 1.476 -3.360 1.00 15.00 N ATOM 252 CA TYR A 251 2.171 0.383 -2.479 1.00 15.00 C ATOM 253 C TYR A 251 1.187 0.836 -1.406 1.00 15.00 C ATOM 254 O TYR A 251 1.342 1.898 -0.796 1.00 15.00 O ATOM 255 CB TYR A 251 3.440 -0.284 -1.910 1.00 15.00 C ATOM 256 CG TYR A 251 4.361 0.565 -1.024 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.944 1.036 0.215 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.679 0.847 -1.411 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.789 1.761 1.030 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.521 1.577 -0.598 1.00 15.00 C ATOM 261 CZ TYR A 251 6.074 2.030 0.619 1.00 15.00 C ATOM 262 OH TYR A 251 6.918 2.757 1.431 1.00 15.00 O ATOM 0 H TYR A 251 2.744 2.357 -2.892 1.00 15.00 H new ATOM 0 HA TYR A 251 1.646 -0.381 -3.053 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.130 -1.155 -1.332 1.00 15.00 H new ATOM 0 HB3 TYR A 251 4.030 -0.652 -2.750 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.937 0.830 0.547 1.00 15.00 H new ATOM 0 HD2 TYR A 251 6.041 0.486 -2.362 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.442 2.117 1.989 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.530 1.792 -0.918 1.00 15.00 H new ATOM 0 HH TYR A 251 7.789 2.856 0.992 1.00 15.00 H new ATOM 272 N PHE A 252 0.151 0.027 -1.209 1.00 15.00 N ATOM 273 CA PHE A 252 -0.912 0.354 -0.272 1.00 15.00 C ATOM 274 C PHE A 252 -0.604 -0.186 1.111 1.00 15.00 C ATOM 275 O PHE A 252 -0.470 -1.395 1.312 1.00 15.00 O ATOM 276 CB PHE A 252 -2.254 -0.169 -0.786 1.00 15.00 C ATOM 277 CG PHE A 252 -2.745 0.624 -1.966 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.930 1.994 -1.854 1.00 15.00 C ATOM 279 CD2 PHE A 252 -2.976 0.023 -3.197 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.341 2.744 -2.939 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.377 0.773 -4.285 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.560 2.135 -4.155 1.00 15.00 C ATOM 0 H PHE A 252 0.027 -0.864 -1.690 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.978 1.439 -0.192 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.152 -1.217 -1.069 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -2.992 -0.125 0.015 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.751 2.481 -0.907 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.840 -1.043 -3.304 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.491 3.808 -2.834 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.547 0.294 -5.238 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.874 2.722 -5.005 1.00 15.00 H new ATOM 292 N LEU A 253 -0.493 0.732 2.056 1.00 15.00 N ATOM 293 CA LEU A 253 -0.092 0.409 3.408 1.00 15.00 C ATOM 294 C LEU A 253 -1.256 0.563 4.380 1.00 15.00 C ATOM 295 O LEU A 253 -1.603 1.672 4.782 1.00 15.00 O ATOM 296 CB LEU A 253 1.046 1.338 3.830 1.00 15.00 C ATOM 297 CG LEU A 253 2.247 0.681 4.507 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.278 1.734 4.844 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.843 -0.071 5.761 1.00 15.00 C ATOM 0 H LEU A 253 -0.680 1.723 1.904 1.00 15.00 H new ATOM 0 HA LEU A 253 0.238 -0.630 3.431 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.400 1.867 2.945 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.640 2.088 4.509 1.00 15.00 H new ATOM 0 HG LEU A 253 2.672 -0.043 3.812 1.00 15.00 H new ATOM 0 HD11 LEU A 253 4.134 1.263 5.327 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.604 2.230 3.930 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.840 2.469 5.519 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.725 -0.524 6.214 1.00 15.00 H new ATOM 0 HD22 LEU A 253 1.387 0.621 6.469 1.00 15.00 H new ATOM 0 HD23 LEU A 253 1.127 -0.851 5.503 1.00 15.00 H new ATOM 311 N HIS A 254 -1.889 -0.541 4.720 1.00 15.00 N ATOM 312 CA HIS A 254 -2.860 -0.547 5.802 1.00 15.00 C ATOM 313 C HIS A 254 -2.307 -1.357 6.935 1.00 15.00 C ATOM 314 O HIS A 254 -2.461 -2.580 6.953 1.00 15.00 O ATOM 315 CB HIS A 254 -4.209 -1.148 5.382 1.00 15.00 C ATOM 316 CG HIS A 254 -5.176 -1.345 6.521 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.443 -2.582 7.073 1.00 15.00 N ATOM 318 CD2 HIS A 254 -5.917 -0.457 7.229 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.297 -2.447 8.069 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.604 -1.168 8.184 1.00 15.00 N ATOM 0 H HIS A 254 -1.751 -1.444 4.266 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.037 0.488 6.094 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.668 -0.498 4.638 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.032 -2.109 4.899 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.959 0.611 7.072 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.680 -3.247 8.686 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.247 -0.772 8.870 1.00 15.00 H new ATOM 329 N THR A 255 -1.637 -0.737 7.870 1.00 15.00 N ATOM 330 CA THR A 255 -1.108 -1.550 8.924 1.00 15.00 C ATOM 331 C THR A 255 -2.040 -1.545 10.128 1.00 15.00 C ATOM 332 O THR A 255 -1.965 -0.715 11.033 1.00 15.00 O ATOM 333 CB THR A 255 0.332 -1.133 9.317 1.00 15.00 C ATOM 334 OG1 THR A 255 0.811 -1.959 10.382 1.00 15.00 O ATOM 335 CG2 THR A 255 0.416 0.337 9.716 1.00 15.00 C ATOM 0 H THR A 255 -1.454 0.265 7.924 1.00 15.00 H new ATOM 0 HA THR A 255 -1.044 -2.571 8.549 1.00 15.00 H new ATOM 0 HB THR A 255 0.962 -1.270 8.438 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.722 -1.688 10.622 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.444 0.583 9.983 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.099 0.960 8.879 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.235 0.520 10.571 1.00 15.00 H new ATOM 343 N GLN A 256 -2.966 -2.479 10.069 1.00 15.00 N ATOM 344 CA GLN A 256 -3.565 -3.084 11.231 1.00 15.00 C ATOM 345 C GLN A 256 -2.892 -4.426 11.409 1.00 15.00 C ATOM 346 O GLN A 256 -2.428 -4.795 12.482 1.00 15.00 O ATOM 347 CB GLN A 256 -5.069 -3.260 11.037 1.00 15.00 C ATOM 348 CG GLN A 256 -5.802 -3.686 12.293 1.00 15.00 C ATOM 349 CD GLN A 256 -7.272 -3.944 12.042 1.00 15.00 C ATOM 350 OE1 GLN A 256 -7.869 -3.363 11.136 1.00 15.00 O ATOM 351 NE2 GLN A 256 -7.868 -4.808 12.847 1.00 15.00 N ATOM 0 H GLN A 256 -3.329 -2.844 9.189 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.431 -2.455 12.111 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.492 -2.321 10.681 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.241 -4.002 10.258 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.340 -4.589 12.692 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.696 -2.912 13.053 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.336 -5.268 13.586 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -8.860 -5.015 12.729 1.00 15.00 H new ATOM 360 N THR A 257 -2.878 -5.148 10.290 1.00 15.00 N ATOM 361 CA THR A 257 -2.303 -6.471 10.193 1.00 15.00 C ATOM 362 C THR A 257 -0.926 -6.432 9.631 1.00 15.00 C ATOM 363 O THR A 257 -0.125 -7.366 9.666 1.00 15.00 O ATOM 364 CB THR A 257 -3.218 -7.424 9.411 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.377 -6.939 8.070 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.589 -7.510 10.066 1.00 15.00 C ATOM 0 H THR A 257 -3.277 -4.815 9.412 1.00 15.00 H new ATOM 0 HA THR A 257 -2.219 -6.867 11.205 1.00 15.00 H new ATOM 0 HB THR A 257 -2.762 -8.414 9.405 1.00 15.00 H new ATOM 0 HG1 THR A 257 -3.960 -7.547 7.569 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.222 -8.190 9.497 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.483 -7.881 11.085 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.045 -6.520 10.086 1.00 15.00 H new ATOM 374 N GLY A 258 -0.739 -5.308 9.140 1.00 15.00 N ATOM 375 CA GLY A 258 0.420 -4.953 8.348 1.00 15.00 C ATOM 376 C GLY A 258 0.237 -5.231 6.865 1.00 15.00 C ATOM 377 O GLY A 258 0.839 -6.157 6.325 1.00 15.00 O ATOM 0 H GLY A 258 -1.397 -4.538 9.259 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.638 -3.894 8.489 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.285 -5.508 8.712 1.00 15.00 H new ATOM 381 N VAL A 259 -0.599 -4.436 6.202 1.00 15.00 N ATOM 382 CA VAL A 259 -0.759 -4.553 4.753 1.00 15.00 C ATOM 383 C VAL A 259 0.221 -3.668 4.001 1.00 15.00 C ATOM 384 O VAL A 259 0.291 -2.461 4.220 1.00 15.00 O ATOM 385 CB VAL A 259 -2.198 -4.221 4.263 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.243 -4.067 2.748 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.144 -5.320 4.687 1.00 15.00 C ATOM 0 H VAL A 259 -1.170 -3.712 6.637 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.555 -5.602 4.536 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.501 -3.275 4.712 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.261 -3.835 2.436 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.578 -3.259 2.445 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -1.922 -4.997 2.278 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.151 -5.086 4.343 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -2.822 -6.266 4.251 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.142 -5.403 5.774 1.00 15.00 H new ATOM 397 N SER A 260 0.975 -4.305 3.128 1.00 15.00 N ATOM 398 CA SER A 260 1.785 -3.618 2.131 1.00 15.00 C ATOM 399 C SER A 260 1.630 -4.353 0.813 1.00 15.00 C ATOM 400 O SER A 260 2.323 -5.338 0.544 1.00 15.00 O ATOM 401 CB SER A 260 3.260 -3.535 2.541 1.00 15.00 C ATOM 402 OG SER A 260 3.638 -4.642 3.343 1.00 15.00 O ATOM 0 H SER A 260 1.046 -5.322 3.087 1.00 15.00 H new ATOM 0 HA SER A 260 1.438 -2.589 2.036 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.886 -3.500 1.649 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.435 -2.610 3.090 1.00 15.00 H new ATOM 0 HG SER A 260 4.584 -4.561 3.587 1.00 15.00 H new ATOM 408 N THR A 261 0.677 -3.908 0.019 1.00 15.00 N ATOM 409 CA THR A 261 0.232 -4.688 -1.113 1.00 15.00 C ATOM 410 C THR A 261 0.219 -3.869 -2.401 1.00 15.00 C ATOM 411 O THR A 261 0.060 -2.643 -2.374 1.00 15.00 O ATOM 412 CB THR A 261 -1.163 -5.289 -0.838 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.426 -6.367 -1.744 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.261 -4.239 -0.956 1.00 15.00 C ATOM 0 H THR A 261 0.199 -3.015 0.137 1.00 15.00 H new ATOM 0 HA THR A 261 0.946 -5.500 -1.252 1.00 15.00 H new ATOM 0 HB THR A 261 -1.162 -5.664 0.185 1.00 15.00 H new ATOM 0 HG1 THR A 261 -2.014 -7.021 -1.312 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.228 -4.700 -0.756 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.082 -3.443 -0.234 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.259 -3.822 -1.963 1.00 15.00 H new ATOM 422 N TRP A 262 0.435 -4.562 -3.513 1.00 15.00 N ATOM 423 CA TRP A 262 0.444 -3.949 -4.833 1.00 15.00 C ATOM 424 C TRP A 262 -0.953 -3.542 -5.273 1.00 15.00 C ATOM 425 O TRP A 262 -1.171 -2.419 -5.729 1.00 15.00 O ATOM 426 CB TRP A 262 1.001 -4.925 -5.862 1.00 15.00 C ATOM 427 CG TRP A 262 2.450 -5.232 -5.697 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.014 -6.424 -5.368 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.520 -4.320 -5.756 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.351 -6.349 -5.377 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.692 -5.075 -5.577 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.623 -2.951 -5.975 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.925 -4.523 -5.600 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.873 -2.401 -5.948 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.992 -3.207 -5.764 1.00 15.00 C ATOM 0 H TRP A 262 0.609 -5.567 -3.523 1.00 15.00 H new ATOM 0 HA TRP A 262 1.071 -3.060 -4.768 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.436 -5.855 -5.806 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.840 -4.514 -6.859 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.455 -7.317 -5.130 1.00 15.00 H new ATOM 0 HE1 TRP A 262 4.996 -7.129 -5.253 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.748 -2.345 -6.159 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.815 -5.125 -5.490 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.993 -1.335 -6.070 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.965 -2.738 -5.754 1.00 15.00 H new ATOM 446 N HIS A 263 -1.888 -4.479 -5.175 1.00 15.00 N ATOM 447 CA HIS A 263 -3.243 -4.250 -5.652 1.00 15.00 C ATOM 448 C HIS A 263 -3.932 -3.184 -4.816 1.00 15.00 C ATOM 449 O HIS A 263 -3.850 -3.200 -3.586 1.00 15.00 O ATOM 450 CB HIS A 263 -4.069 -5.552 -5.629 1.00 15.00 C ATOM 451 CG HIS A 263 -4.658 -5.913 -4.288 1.00 15.00 C ATOM 452 ND1 HIS A 263 -5.989 -5.717 -3.969 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.092 -6.453 -3.183 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.204 -6.119 -2.728 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.072 -6.570 -2.234 1.00 15.00 N ATOM 0 H HIS A 263 -1.732 -5.402 -4.770 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.177 -3.903 -6.683 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.880 -5.462 -6.352 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.434 -6.373 -5.962 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.694 -5.324 -4.593 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.057 -6.739 -3.071 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.150 -6.083 -2.208 1.00 15.00 H new ATOM 464 N ASP A 264 -4.595 -2.258 -5.491 1.00 15.00 N ATOM 465 CA ASP A 264 -5.515 -1.353 -4.823 1.00 15.00 C ATOM 466 C ASP A 264 -6.513 -2.205 -4.053 1.00 15.00 C ATOM 467 O ASP A 264 -7.129 -3.096 -4.611 1.00 15.00 O ATOM 468 CB ASP A 264 -6.214 -0.459 -5.861 1.00 15.00 C ATOM 469 CG ASP A 264 -7.122 0.598 -5.260 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.733 0.344 -4.207 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -7.234 1.693 -5.858 1.00 15.00 O ATOM 0 H ASP A 264 -4.513 -2.114 -6.497 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.991 -0.692 -4.133 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.456 0.033 -6.470 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.801 -1.088 -6.530 1.00 15.00 H new ATOM 476 N PRO A 265 -6.652 -2.003 -2.753 1.00 15.00 N ATOM 477 CA PRO A 265 -7.528 -2.831 -1.938 1.00 15.00 C ATOM 478 C PRO A 265 -8.991 -2.611 -2.249 1.00 15.00 C ATOM 479 O PRO A 265 -9.856 -3.381 -1.831 1.00 15.00 O ATOM 480 CB PRO A 265 -7.186 -2.440 -0.502 1.00 15.00 C ATOM 481 CG PRO A 265 -5.939 -1.621 -0.601 1.00 15.00 C ATOM 482 CD PRO A 265 -5.971 -0.984 -1.956 1.00 15.00 C ATOM 0 HA PRO A 265 -7.373 -3.893 -2.129 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.996 -1.870 -0.046 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.029 -3.322 0.119 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -5.904 -0.866 0.184 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.052 -2.244 -0.483 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.515 -0.039 -1.950 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.970 -0.773 -2.332 1.00 15.00 H new ATOM 490 N ARG A 266 -9.267 -1.536 -2.952 1.00 15.00 N ATOM 491 CA ARG A 266 -10.596 -1.282 -3.442 1.00 15.00 C ATOM 492 C ARG A 266 -10.845 -2.137 -4.671 1.00 15.00 C ATOM 493 O ARG A 266 -11.964 -2.235 -5.180 1.00 15.00 O ATOM 494 CB ARG A 266 -10.738 0.181 -3.782 1.00 15.00 C ATOM 495 CG ARG A 266 -12.176 0.633 -3.822 1.00 15.00 C ATOM 496 CD ARG A 266 -12.774 0.678 -2.429 1.00 15.00 C ATOM 497 NE ARG A 266 -14.208 0.951 -2.440 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.813 1.763 -1.574 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.093 2.469 -0.710 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -16.132 1.885 -1.580 1.00 15.00 N ATOM 0 H ARG A 266 -8.582 -0.821 -3.197 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.329 -1.535 -2.676 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.195 0.775 -3.047 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.275 0.371 -4.750 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.237 1.621 -4.279 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.756 -0.045 -4.448 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.593 -0.274 -1.930 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.267 1.446 -1.845 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.779 0.494 -3.151 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -13.076 2.390 -0.709 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -14.557 3.090 -0.047 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.690 1.356 -2.250 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.590 2.508 -0.915 1.00 15.00 H new ATOM 514 N ILE A 267 -9.776 -2.748 -5.142 1.00 15.00 N ATOM 515 CA ILE A 267 -9.849 -3.666 -6.279 1.00 15.00 C ATOM 516 C ILE A 267 -9.347 -5.061 -5.888 1.00 15.00 C ATOM 517 O ILE A 267 -10.197 -5.902 -5.538 1.00 15.00 O ATOM 518 CB ILE A 267 -9.126 -3.147 -7.565 1.00 15.00 C ATOM 519 CG1 ILE A 267 -7.621 -2.896 -7.360 1.00 15.00 C ATOM 520 CG2 ILE A 267 -9.799 -1.876 -8.058 1.00 15.00 C ATOM 521 CD1 ILE A 267 -6.884 -2.560 -8.641 1.00 15.00 C ATOM 522 OXT ILE A 267 -8.119 -5.313 -5.894 1.00 15.00 O ATOM 0 H ILE A 267 -8.839 -2.629 -4.758 1.00 15.00 H new ATOM 0 HA ILE A 267 -10.905 -3.728 -6.543 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.212 -3.936 -8.312 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.490 -2.079 -6.650 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.171 -3.782 -6.913 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.291 -1.519 -8.954 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -10.843 -2.084 -8.292 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -9.746 -1.112 -7.282 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -5.829 -2.396 -8.421 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -6.984 -3.386 -9.345 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.308 -1.656 -9.079 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 9.437 3.205 12.785 1.00 15.00 N ATOM 536 CA SER B 210 8.453 3.797 11.849 1.00 15.00 C ATOM 537 C SER B 210 8.702 3.309 10.422 1.00 15.00 C ATOM 538 O SER B 210 8.231 3.911 9.458 1.00 15.00 O ATOM 539 CB SER B 210 8.556 5.324 11.917 1.00 15.00 C ATOM 540 OG SER B 210 9.907 5.752 11.797 1.00 15.00 O ATOM 0 HA SER B 210 7.449 3.485 12.138 1.00 15.00 H new ATOM 0 HB2 SER B 210 7.959 5.768 11.120 1.00 15.00 H new ATOM 0 HB3 SER B 210 8.142 5.678 12.861 1.00 15.00 H new ATOM 0 HG SER B 210 10.499 5.085 12.204 1.00 15.00 H new ATOM 548 N ASP B 211 9.400 2.183 10.295 1.00 15.00 N ATOM 549 CA ASP B 211 9.818 1.679 8.990 1.00 15.00 C ATOM 550 C ASP B 211 8.759 0.752 8.403 1.00 15.00 C ATOM 551 O ASP B 211 8.486 -0.310 8.960 1.00 15.00 O ATOM 552 CB ASP B 211 11.136 0.905 9.108 1.00 15.00 C ATOM 553 CG ASP B 211 12.217 1.662 9.852 1.00 15.00 C ATOM 554 OD1 ASP B 211 12.113 1.790 11.094 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 13.188 2.113 9.212 1.00 15.00 O ATOM 0 H ASP B 211 9.688 1.602 11.082 1.00 15.00 H new ATOM 0 HA ASP B 211 9.954 2.539 8.334 1.00 15.00 H new ATOM 0 HB2 ASP B 211 10.949 -0.040 9.618 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.496 0.662 8.108 1.00 15.00 H new ATOM 560 N PRO B 212 8.143 1.143 7.276 1.00 15.00 N ATOM 561 CA PRO B 212 7.181 0.306 6.573 1.00 15.00 C ATOM 562 C PRO B 212 7.848 -0.587 5.538 1.00 15.00 C ATOM 563 O PRO B 212 8.900 -0.249 4.992 1.00 15.00 O ATOM 564 CB PRO B 212 6.280 1.320 5.861 1.00 15.00 C ATOM 565 CG PRO B 212 6.880 2.671 6.094 1.00 15.00 C ATOM 566 CD PRO B 212 8.278 2.441 6.614 1.00 15.00 C ATOM 0 HA PRO B 212 6.655 -0.362 7.255 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.221 1.102 4.795 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.264 1.276 6.253 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.901 3.250 5.170 1.00 15.00 H new ATOM 0 HG3 PRO B 212 6.288 3.239 6.812 1.00 15.00 H new ATOM 0 HD2 PRO B 212 9.014 2.415 5.810 1.00 15.00 H new ATOM 0 HD3 PRO B 212 8.590 3.223 7.307 1.00 15.00 H new ATOM 574 N GLY B 213 7.210 -1.707 5.239 1.00 15.00 N ATOM 575 CA GLY B 213 7.751 -2.622 4.258 1.00 15.00 C ATOM 576 C GLY B 213 7.265 -2.315 2.856 1.00 15.00 C ATOM 577 O GLY B 213 6.079 -2.067 2.637 1.00 15.00 O ATOM 0 H GLY B 213 6.327 -1.999 5.658 1.00 15.00 H new ATOM 0 HA2 GLY B 213 8.840 -2.574 4.281 1.00 15.00 H new ATOM 0 HA3 GLY B 213 7.471 -3.642 4.522 1.00 15.00 H new HETATM 581 N SEP B 214 8.191 -2.323 1.917 1.00 15.00 N HETATM 582 CA SEP B 214 7.881 -2.134 0.511 1.00 15.00 C HETATM 583 CB SEP B 214 9.002 -1.392 -0.227 1.00 15.00 C HETATM 584 OG SEP B 214 9.914 -0.787 0.669 1.00 15.00 O HETATM 585 C SEP B 214 7.603 -3.495 -0.140 1.00 15.00 C HETATM 586 O SEP B 214 7.980 -4.539 0.395 1.00 15.00 O HETATM 587 P SEP B 214 11.131 0.149 0.156 1.00 15.00 P HETATM 588 O1P SEP B 214 11.902 -0.607 -0.837 1.00 15.00 O HETATM 589 O2P SEP B 214 10.565 1.358 -0.448 1.00 15.00 O HETATM 590 O3P SEP B 214 11.973 0.506 1.302 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.536 -2.090 -0.872 1.00 15.00 H new HETATM 0 HB2 SEP B 214 8.568 -0.629 -0.873 1.00 15.00 H new HETATM 0 HA SEP B 214 6.990 -1.511 0.438 1.00 15.00 H new HETATM 0 H SEP B 214 9.072 -1.975 2.296 1.00 15.00 H new ATOM 595 N PRO B 215 6.937 -3.487 -1.296 1.00 15.00 N ATOM 596 CA PRO B 215 6.386 -4.686 -1.939 1.00 15.00 C ATOM 597 C PRO B 215 7.394 -5.369 -2.852 1.00 15.00 C ATOM 598 O PRO B 215 8.229 -4.715 -3.484 1.00 15.00 O ATOM 599 CB PRO B 215 5.331 -4.094 -2.885 1.00 15.00 C ATOM 600 CG PRO B 215 5.222 -2.661 -2.534 1.00 15.00 C ATOM 601 CD PRO B 215 6.569 -2.287 -2.018 1.00 15.00 C ATOM 0 HA PRO B 215 6.050 -5.408 -1.194 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.628 -4.219 -3.926 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.372 -4.599 -2.764 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.952 -2.061 -3.403 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.451 -2.497 -1.781 1.00 15.00 H new ATOM 0 HD2 PRO B 215 7.269 -2.060 -2.822 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.533 -1.412 -1.370 1.00 15.00 H new ATOM 609 N PHE B 216 7.293 -6.682 -2.934 1.00 15.00 N ATOM 610 CA PHE B 216 8.127 -7.456 -3.830 1.00 15.00 C ATOM 611 C PHE B 216 7.305 -7.864 -5.044 1.00 15.00 C ATOM 612 O PHE B 216 6.344 -8.628 -4.924 1.00 15.00 O ATOM 613 CB PHE B 216 8.686 -8.688 -3.116 1.00 15.00 C ATOM 614 CG PHE B 216 9.472 -8.353 -1.879 1.00 15.00 C ATOM 615 CD1 PHE B 216 10.778 -7.902 -1.975 1.00 15.00 C ATOM 616 CD2 PHE B 216 8.904 -8.487 -0.622 1.00 15.00 C ATOM 617 CE1 PHE B 216 11.503 -7.591 -0.841 1.00 15.00 C ATOM 618 CE2 PHE B 216 9.625 -8.178 0.517 1.00 15.00 C ATOM 619 CZ PHE B 216 10.927 -7.730 0.405 1.00 15.00 C ATOM 0 H PHE B 216 6.636 -7.237 -2.386 1.00 15.00 H new ATOM 0 HA PHE B 216 8.972 -6.849 -4.154 1.00 15.00 H new ATOM 0 HB2 PHE B 216 7.862 -9.348 -2.847 1.00 15.00 H new ATOM 0 HB3 PHE B 216 9.325 -9.240 -3.805 1.00 15.00 H new ATOM 0 HD1 PHE B 216 11.235 -7.792 -2.947 1.00 15.00 H new ATOM 0 HD2 PHE B 216 7.886 -8.837 -0.531 1.00 15.00 H new ATOM 0 HE1 PHE B 216 12.520 -7.239 -0.930 1.00 15.00 H new ATOM 0 HE2 PHE B 216 9.172 -8.287 1.491 1.00 15.00 H new ATOM 0 HZ PHE B 216 11.494 -7.489 1.292 1.00 15.00 H new ATOM 629 N GLN B 217 7.654 -7.317 -6.197 1.00 15.00 N ATOM 630 CA GLN B 217 6.895 -7.550 -7.418 1.00 15.00 C ATOM 631 C GLN B 217 7.102 -8.964 -7.947 1.00 15.00 C ATOM 632 O GLN B 217 6.101 -9.615 -8.310 1.00 15.00 O ATOM 633 CB GLN B 217 7.226 -6.484 -8.477 1.00 15.00 C ATOM 634 CG GLN B 217 8.679 -6.007 -8.488 1.00 15.00 C ATOM 635 CD GLN B 217 9.581 -6.817 -9.406 1.00 15.00 C ATOM 636 OE1 GLN B 217 9.687 -6.523 -10.597 1.00 15.00 O ATOM 637 NE2 GLN B 217 10.258 -7.815 -8.860 1.00 15.00 N ATOM 638 OXT GLN B 217 8.252 -9.438 -7.960 1.00 15.00 O ATOM 0 H GLN B 217 8.462 -6.705 -6.315 1.00 15.00 H new ATOM 0 HA GLN B 217 5.836 -7.459 -7.179 1.00 15.00 H new ATOM 0 HB2 GLN B 217 6.985 -6.885 -9.461 1.00 15.00 H new ATOM 0 HB3 GLN B 217 6.578 -5.622 -8.317 1.00 15.00 H new ATOM 0 HG2 GLN B 217 8.707 -4.962 -8.796 1.00 15.00 H new ATOM 0 HG3 GLN B 217 9.074 -6.051 -7.473 1.00 15.00 H new ATOM 0 HE21 GLN B 217 10.143 -8.027 -7.869 1.00 15.00 H new ATOM 0 HE22 GLN B 217 10.895 -8.371 -9.430 1.00 15.00 H new TER 647 GLN B 217