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 130:sc= -0.513 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.395 X(o=-0.91,f=-0.45) USER MOD Set 2.1: A 249 GLN : amide:sc= -2.16! K(o=-1.7!,f=1.2) USER MOD Set 2.2: B 217 GLN : amide:sc= 0.48 K(o=-1.7,f=1.2) USER MOD Set 3.1: A 242 GLN : amide:sc= -1.46 K(o=-1.3,f=-1.9) USER MOD Set 3.2: A 244 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot -143:sc= 1.06 USER MOD Single : A 247 GLN : amide:sc= -6.93! C(o=-6.9!,f=-12!) USER MOD Single : A 251 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 254 HIS : no HD1:sc= -2.01 K(o=-2,f=-0.37) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= -0.0349 K(o=-0.035,f=-1.2) 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 -29:sc= 0.304 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -11.434 6.500 -4.360 1.00 15.00 N ATOM 2 CA GLU A 235 -11.332 6.506 -2.886 1.00 15.00 C ATOM 3 C GLU A 235 -11.280 5.086 -2.346 1.00 15.00 C ATOM 4 O GLU A 235 -12.074 4.226 -2.737 1.00 15.00 O ATOM 5 CB GLU A 235 -12.518 7.255 -2.274 1.00 15.00 C ATOM 6 CG GLU A 235 -13.869 6.655 -2.624 1.00 15.00 C ATOM 7 CD GLU A 235 -15.017 7.399 -1.986 1.00 15.00 C ATOM 8 OE1 GLU A 235 -15.435 8.434 -2.541 1.00 15.00 O1- ATOM 9 OE2 GLU A 235 -15.507 6.947 -0.929 1.00 15.00 O ATOM 0 HA GLU A 235 -10.410 7.017 -2.610 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -12.407 7.268 -1.190 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -12.493 8.292 -2.610 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -13.995 6.659 -3.707 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -13.894 5.613 -2.304 1.00 15.00 H new ATOM 18 N LEU A 236 -10.349 4.847 -1.440 1.00 15.00 N ATOM 19 CA LEU A 236 -10.215 3.550 -0.801 1.00 15.00 C ATOM 20 C LEU A 236 -11.002 3.557 0.504 1.00 15.00 C ATOM 21 O LEU A 236 -11.547 4.589 0.889 1.00 15.00 O ATOM 22 CB LEU A 236 -8.739 3.253 -0.495 1.00 15.00 C ATOM 23 CG LEU A 236 -7.744 3.570 -1.608 1.00 15.00 C ATOM 24 CD1 LEU A 236 -6.331 3.273 -1.142 1.00 15.00 C ATOM 25 CD2 LEU A 236 -8.071 2.778 -2.863 1.00 15.00 C ATOM 0 H LEU A 236 -9.669 5.541 -1.128 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.599 2.782 -1.472 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.452 3.818 0.392 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.647 2.196 -0.244 1.00 15.00 H new ATOM 0 HG LEU A 236 -7.818 4.630 -1.849 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -5.628 3.502 -1.943 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -6.099 3.884 -0.270 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -6.249 2.219 -0.878 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -7.350 3.019 -3.644 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -8.024 1.712 -2.643 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -9.074 3.035 -3.204 1.00 15.00 H new ATOM 37 N PRO A 237 -11.075 2.417 1.204 1.00 15.00 N ATOM 38 CA PRO A 237 -11.565 2.397 2.578 1.00 15.00 C ATOM 39 C PRO A 237 -10.569 3.072 3.500 1.00 15.00 C ATOM 40 O PRO A 237 -9.398 3.256 3.158 1.00 15.00 O ATOM 41 CB PRO A 237 -11.688 0.904 2.916 1.00 15.00 C ATOM 42 CG PRO A 237 -11.538 0.175 1.620 1.00 15.00 C ATOM 43 CD PRO A 237 -10.753 1.072 0.708 1.00 15.00 C ATOM 0 HA PRO A 237 -12.510 2.928 2.695 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -10.919 0.600 3.626 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.651 0.686 3.377 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.022 -0.774 1.767 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.513 -0.056 1.191 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.684 0.867 0.764 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -11.048 0.945 -0.334 1.00 15.00 H new ATOM 51 N GLU A 238 -11.037 3.420 4.670 1.00 15.00 N ATOM 52 CA GLU A 238 -10.234 4.188 5.609 1.00 15.00 C ATOM 53 C GLU A 238 -9.086 3.347 6.168 1.00 15.00 C ATOM 54 O GLU A 238 -9.256 2.168 6.488 1.00 15.00 O ATOM 55 CB GLU A 238 -11.117 4.693 6.754 1.00 15.00 C ATOM 56 CG GLU A 238 -10.425 5.702 7.656 1.00 15.00 C ATOM 57 CD GLU A 238 -10.020 6.956 6.910 1.00 15.00 C ATOM 58 OE1 GLU A 238 -8.974 6.939 6.227 1.00 15.00 O ATOM 59 OE2 GLU A 238 -10.760 7.960 6.989 1.00 15.00 O1- ATOM 0 H GLU A 238 -11.972 3.187 5.004 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.805 5.038 5.078 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -12.015 5.148 6.336 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.440 3.843 7.355 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.091 5.969 8.477 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -9.541 5.244 8.099 1.00 15.00 H new ATOM 66 N GLY A 239 -7.926 3.979 6.309 1.00 15.00 N ATOM 67 CA GLY A 239 -6.767 3.306 6.864 1.00 15.00 C ATOM 68 C GLY A 239 -5.768 2.827 5.825 1.00 15.00 C ATOM 69 O GLY A 239 -4.842 2.088 6.159 1.00 15.00 O ATOM 0 H GLY A 239 -7.768 4.952 6.047 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.262 3.984 7.552 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.104 2.450 7.450 1.00 15.00 H new ATOM 73 N TYR A 240 -5.940 3.223 4.568 1.00 15.00 N ATOM 74 CA TYR A 240 -4.955 2.890 3.539 1.00 15.00 C ATOM 75 C TYR A 240 -4.104 4.101 3.201 1.00 15.00 C ATOM 76 O TYR A 240 -4.618 5.156 2.828 1.00 15.00 O ATOM 77 CB TYR A 240 -5.616 2.361 2.256 1.00 15.00 C ATOM 78 CG TYR A 240 -6.292 1.020 2.432 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.544 -0.144 2.506 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.670 0.919 2.546 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.151 -1.373 2.690 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.282 -0.304 2.735 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.519 -1.446 2.806 1.00 15.00 C ATOM 84 OH TYR A 240 -8.128 -2.664 3.001 1.00 15.00 O ATOM 0 H TYR A 240 -6.738 3.766 4.238 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.326 2.100 3.949 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.352 3.087 1.911 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.860 2.278 1.475 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.469 -0.091 2.419 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.275 1.812 2.486 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.553 -2.271 2.742 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.356 -0.364 2.827 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.098 -2.539 3.063 1.00 15.00 H new ATOM 94 N GLU A 241 -2.803 3.942 3.341 1.00 15.00 N ATOM 95 CA GLU A 241 -1.857 4.962 2.946 1.00 15.00 C ATOM 96 C GLU A 241 -1.095 4.502 1.709 1.00 15.00 C ATOM 97 O GLU A 241 -0.486 3.430 1.698 1.00 15.00 O ATOM 98 CB GLU A 241 -0.900 5.289 4.102 1.00 15.00 C ATOM 99 CG GLU A 241 -0.316 4.064 4.789 1.00 15.00 C ATOM 100 CD GLU A 241 0.616 4.421 5.928 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.150 5.004 6.929 1.00 15.00 O1- ATOM 102 OE2 GLU A 241 1.826 4.136 5.829 1.00 15.00 O ATOM 0 H GLU A 241 -2.374 3.103 3.731 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.397 5.876 2.700 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.084 5.903 3.721 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.431 5.888 4.841 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -1.128 3.445 5.170 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.225 3.465 4.056 1.00 15.00 H new ATOM 109 N GLN A 242 -1.149 5.304 0.660 1.00 15.00 N ATOM 110 CA GLN A 242 -0.446 4.984 -0.570 1.00 15.00 C ATOM 111 C GLN A 242 0.947 5.581 -0.503 1.00 15.00 C ATOM 112 O GLN A 242 1.107 6.798 -0.422 1.00 15.00 O ATOM 113 CB GLN A 242 -1.215 5.520 -1.791 1.00 15.00 C ATOM 114 CG GLN A 242 -0.562 5.206 -3.136 1.00 15.00 C ATOM 115 CD GLN A 242 0.530 6.194 -3.515 1.00 15.00 C ATOM 116 OE1 GLN A 242 0.449 7.379 -3.200 1.00 15.00 O ATOM 117 NE2 GLN A 242 1.569 5.708 -4.174 1.00 15.00 N ATOM 0 H GLN A 242 -1.671 6.180 0.635 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.373 3.902 -0.680 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.222 5.102 -1.783 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.318 6.601 -1.694 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.139 4.202 -3.102 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.327 5.204 -3.913 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.601 4.718 -4.418 1.00 15.00 H new ATOM 0 HE22 GLN A 242 2.339 6.323 -4.438 1.00 15.00 H new ATOM 126 N ARG A 243 1.954 4.725 -0.509 1.00 15.00 N ATOM 127 CA ARG A 243 3.318 5.197 -0.395 1.00 15.00 C ATOM 128 C ARG A 243 4.073 5.095 -1.688 1.00 15.00 C ATOM 129 O ARG A 243 3.859 4.195 -2.504 1.00 15.00 O ATOM 130 CB ARG A 243 4.076 4.464 0.696 1.00 15.00 C ATOM 131 CG ARG A 243 3.806 5.057 2.045 1.00 15.00 C ATOM 132 CD ARG A 243 4.536 4.328 3.153 1.00 15.00 C ATOM 133 NE ARG A 243 4.021 4.697 4.468 1.00 15.00 N ATOM 134 CZ ARG A 243 4.624 5.538 5.304 1.00 15.00 C ATOM 135 NH1 ARG A 243 5.791 6.094 4.985 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 4.050 5.818 6.467 1.00 15.00 N ATOM 0 H ARG A 243 1.853 3.713 -0.591 1.00 15.00 H new ATOM 0 HA ARG A 243 3.245 6.252 -0.129 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.790 3.412 0.696 1.00 15.00 H new ATOM 0 HB3 ARG A 243 5.145 4.503 0.487 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.106 6.105 2.045 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.734 5.032 2.242 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.434 3.252 3.010 1.00 15.00 H new ATOM 0 HD3 ARG A 243 5.600 4.557 3.101 1.00 15.00 H new ATOM 0 HE ARG A 243 3.138 4.282 4.766 1.00 15.00 H new ATOM 0 HH11 ARG A 243 6.232 5.877 4.091 1.00 15.00 H new ATOM 0 HH12 ARG A 243 6.244 6.737 5.634 1.00 15.00 H new ATOM 0 HH21 ARG A 243 3.157 5.390 6.711 1.00 15.00 H new ATOM 0 HH22 ARG A 243 4.502 6.461 7.117 1.00 15.00 H new ATOM 150 N THR A 244 4.987 6.019 -1.827 1.00 15.00 N ATOM 151 CA THR A 244 5.838 6.089 -2.992 1.00 15.00 C ATOM 152 C THR A 244 7.303 6.060 -2.571 1.00 15.00 C ATOM 153 O THR A 244 7.895 7.089 -2.250 1.00 15.00 O ATOM 154 CB THR A 244 5.549 7.360 -3.812 1.00 15.00 C ATOM 155 OG1 THR A 244 4.131 7.526 -3.954 1.00 15.00 O ATOM 156 CG2 THR A 244 6.186 7.275 -5.191 1.00 15.00 C ATOM 0 H THR A 244 5.165 6.747 -1.135 1.00 15.00 H new ATOM 0 HA THR A 244 5.628 5.223 -3.620 1.00 15.00 H new ATOM 0 HB THR A 244 5.975 8.214 -3.285 1.00 15.00 H new ATOM 0 HG1 THR A 244 3.947 8.336 -4.475 1.00 15.00 H new ATOM 0 HG21 THR A 244 5.967 8.185 -5.750 1.00 15.00 H new ATOM 0 HG22 THR A 244 7.265 7.164 -5.087 1.00 15.00 H new ATOM 0 HG23 THR A 244 5.783 6.415 -5.726 1.00 15.00 H new ATOM 164 N THR A 245 7.859 4.861 -2.521 1.00 15.00 N ATOM 165 CA THR A 245 9.259 4.675 -2.189 1.00 15.00 C ATOM 166 C THR A 245 10.099 4.678 -3.464 1.00 15.00 C ATOM 167 O THR A 245 9.595 4.344 -4.539 1.00 15.00 O ATOM 168 CB THR A 245 9.499 3.381 -1.375 1.00 15.00 C ATOM 169 OG1 THR A 245 10.893 3.233 -1.074 1.00 15.00 O ATOM 170 CG2 THR A 245 9.017 2.163 -2.132 1.00 15.00 C ATOM 0 H THR A 245 7.355 3.994 -2.708 1.00 15.00 H new ATOM 0 HA THR A 245 9.565 5.507 -1.555 1.00 15.00 H new ATOM 0 HB THR A 245 8.933 3.463 -0.447 1.00 15.00 H new ATOM 0 HG1 THR A 245 11.137 2.285 -1.112 1.00 15.00 H new ATOM 0 HG21 THR A 245 9.199 1.269 -1.536 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.949 2.257 -2.330 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.556 2.085 -3.076 1.00 15.00 H new ATOM 178 N VAL A 246 11.352 5.119 -3.331 1.00 15.00 N ATOM 179 CA VAL A 246 12.292 5.294 -4.452 1.00 15.00 C ATOM 180 C VAL A 246 12.260 4.176 -5.506 1.00 15.00 C ATOM 181 O VAL A 246 12.647 4.405 -6.652 1.00 15.00 O ATOM 182 CB VAL A 246 13.740 5.427 -3.940 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.939 6.762 -3.236 1.00 15.00 C ATOM 184 CG2 VAL A 246 14.094 4.273 -3.010 1.00 15.00 C ATOM 0 H VAL A 246 11.753 5.370 -2.428 1.00 15.00 H new ATOM 0 HA VAL A 246 11.955 6.208 -4.941 1.00 15.00 H new ATOM 0 HB VAL A 246 14.409 5.388 -4.800 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.967 6.837 -2.882 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.735 7.575 -3.933 1.00 15.00 H new ATOM 0 HG13 VAL A 246 13.257 6.831 -2.388 1.00 15.00 H new ATOM 0 HG21 VAL A 246 15.120 4.388 -2.661 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.418 4.274 -2.155 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.997 3.330 -3.548 1.00 15.00 H new ATOM 194 N GLN A 247 11.820 2.978 -5.122 1.00 15.00 N ATOM 195 CA GLN A 247 11.681 1.868 -6.067 1.00 15.00 C ATOM 196 C GLN A 247 10.780 2.260 -7.249 1.00 15.00 C ATOM 197 O GLN A 247 10.839 1.647 -8.317 1.00 15.00 O ATOM 198 CB GLN A 247 11.123 0.618 -5.371 1.00 15.00 C ATOM 199 CG GLN A 247 9.695 0.780 -4.887 1.00 15.00 C ATOM 200 CD GLN A 247 9.058 -0.520 -4.443 1.00 15.00 C ATOM 201 OE1 GLN A 247 7.850 -0.691 -4.566 1.00 15.00 O ATOM 202 NE2 GLN A 247 9.849 -1.435 -3.911 1.00 15.00 N ATOM 0 H GLN A 247 11.554 2.750 -4.164 1.00 15.00 H new ATOM 0 HA GLN A 247 12.675 1.637 -6.450 1.00 15.00 H new ATOM 0 HB2 GLN A 247 11.171 -0.224 -6.062 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.760 0.370 -4.522 1.00 15.00 H new ATOM 0 HG2 GLN A 247 9.679 1.486 -4.057 1.00 15.00 H new ATOM 0 HG3 GLN A 247 9.096 1.215 -5.687 1.00 15.00 H new ATOM 0 HE21 GLN A 247 10.850 -1.257 -3.825 1.00 15.00 H new ATOM 0 HE22 GLN A 247 9.459 -2.320 -3.586 1.00 15.00 H new ATOM 211 N GLY A 248 9.931 3.266 -7.038 1.00 15.00 N ATOM 212 CA GLY A 248 9.117 3.810 -8.112 1.00 15.00 C ATOM 213 C GLY A 248 7.876 2.989 -8.394 1.00 15.00 C ATOM 214 O GLY A 248 7.445 2.877 -9.541 1.00 15.00 O ATOM 0 H GLY A 248 9.793 3.716 -6.133 1.00 15.00 H new ATOM 0 HA2 GLY A 248 8.821 4.827 -7.856 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.718 3.872 -9.019 1.00 15.00 H new ATOM 218 N GLN A 249 7.295 2.413 -7.356 1.00 15.00 N ATOM 219 CA GLN A 249 6.114 1.577 -7.514 1.00 15.00 C ATOM 220 C GLN A 249 5.098 1.910 -6.428 1.00 15.00 C ATOM 221 O GLN A 249 5.473 2.249 -5.303 1.00 15.00 O ATOM 222 CB GLN A 249 6.501 0.097 -7.438 1.00 15.00 C ATOM 223 CG GLN A 249 7.723 -0.262 -8.259 1.00 15.00 C ATOM 224 CD GLN A 249 8.162 -1.704 -8.086 1.00 15.00 C ATOM 225 OE1 GLN A 249 7.706 -2.599 -8.796 1.00 15.00 O ATOM 226 NE2 GLN A 249 9.063 -1.933 -7.140 1.00 15.00 N ATOM 0 H GLN A 249 7.621 2.508 -6.394 1.00 15.00 H new ATOM 0 HA GLN A 249 5.669 1.771 -8.490 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.685 -0.167 -6.397 1.00 15.00 H new ATOM 0 HB3 GLN A 249 5.658 -0.506 -7.776 1.00 15.00 H new ATOM 0 HG2 GLN A 249 7.511 -0.078 -9.312 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.546 0.397 -7.980 1.00 15.00 H new ATOM 0 HE21 GLN A 249 9.415 -1.161 -6.573 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.404 -2.881 -6.979 1.00 15.00 H new ATOM 235 N VAL A 250 3.819 1.802 -6.761 1.00 15.00 N ATOM 236 CA VAL A 250 2.753 2.130 -5.823 1.00 15.00 C ATOM 237 C VAL A 250 2.350 0.906 -5.003 1.00 15.00 C ATOM 238 O VAL A 250 2.031 -0.145 -5.556 1.00 15.00 O ATOM 239 CB VAL A 250 1.510 2.711 -6.545 1.00 15.00 C ATOM 240 CG1 VAL A 250 1.830 4.065 -7.158 1.00 15.00 C ATOM 241 CG2 VAL A 250 0.995 1.761 -7.621 1.00 15.00 C ATOM 0 H VAL A 250 3.494 1.489 -7.676 1.00 15.00 H new ATOM 0 HA VAL A 250 3.145 2.894 -5.152 1.00 15.00 H new ATOM 0 HB VAL A 250 0.726 2.835 -5.798 1.00 15.00 H new ATOM 0 HG11 VAL A 250 0.945 4.456 -7.660 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.137 4.756 -6.373 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.638 3.955 -7.881 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.123 2.200 -8.107 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.777 1.592 -8.362 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.716 0.811 -7.165 1.00 15.00 H new ATOM 251 N TYR A 251 2.383 1.040 -3.686 1.00 15.00 N ATOM 252 CA TYR A 251 2.013 -0.058 -2.804 1.00 15.00 C ATOM 253 C TYR A 251 1.040 0.445 -1.739 1.00 15.00 C ATOM 254 O TYR A 251 1.246 1.509 -1.143 1.00 15.00 O ATOM 255 CB TYR A 251 3.293 -0.692 -2.213 1.00 15.00 C ATOM 256 CG TYR A 251 4.030 0.100 -1.146 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.588 0.150 0.171 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.214 0.752 -1.459 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.298 0.829 1.136 1.00 15.00 C ATOM 260 CE2 TYR A 251 5.936 1.423 -0.493 1.00 15.00 C ATOM 261 CZ TYR A 251 5.474 1.459 0.802 1.00 15.00 C ATOM 262 OH TYR A 251 6.196 2.117 1.771 1.00 15.00 O ATOM 0 H TYR A 251 2.661 1.895 -3.205 1.00 15.00 H new ATOM 0 HA TYR A 251 1.494 -0.842 -3.356 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.026 -1.661 -1.791 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.986 -0.881 -3.033 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.671 -0.353 0.442 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.577 0.734 -2.476 1.00 15.00 H new ATOM 0 HE1 TYR A 251 3.933 0.867 2.152 1.00 15.00 H new ATOM 0 HE2 TYR A 251 6.860 1.918 -0.753 1.00 15.00 H new ATOM 0 HH TYR A 251 7.001 2.507 1.371 1.00 15.00 H new ATOM 272 N PHE A 252 -0.036 -0.300 -1.528 1.00 15.00 N ATOM 273 CA PHE A 252 -1.070 0.108 -0.590 1.00 15.00 C ATOM 274 C PHE A 252 -0.782 -0.420 0.797 1.00 15.00 C ATOM 275 O PHE A 252 -0.703 -1.631 1.016 1.00 15.00 O ATOM 276 CB PHE A 252 -2.453 -0.345 -1.065 1.00 15.00 C ATOM 277 CG PHE A 252 -2.962 0.505 -2.199 1.00 15.00 C ATOM 278 CD1 PHE A 252 -3.137 1.869 -2.024 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.228 -0.045 -3.451 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.562 2.667 -3.068 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.665 0.751 -4.492 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.825 2.109 -4.302 1.00 15.00 C ATOM 0 H PHE A 252 -0.215 -1.190 -1.994 1.00 15.00 H new ATOM 0 HA PHE A 252 -1.068 1.197 -0.546 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.404 -1.386 -1.385 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.156 -0.300 -0.233 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.939 2.313 -1.060 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -3.091 -1.105 -3.609 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.689 3.729 -2.918 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.881 0.311 -5.454 1.00 15.00 H new ATOM 0 HZ PHE A 252 -4.156 2.734 -5.118 1.00 15.00 H new ATOM 292 N LEU A 253 -0.612 0.505 1.724 1.00 15.00 N ATOM 293 CA LEU A 253 -0.289 0.161 3.089 1.00 15.00 C ATOM 294 C LEU A 253 -1.494 0.377 3.991 1.00 15.00 C ATOM 295 O LEU A 253 -2.055 1.464 4.057 1.00 15.00 O ATOM 296 CB LEU A 253 0.884 1.009 3.572 1.00 15.00 C ATOM 297 CG LEU A 253 1.917 0.290 4.442 1.00 15.00 C ATOM 298 CD1 LEU A 253 2.973 1.268 4.902 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.281 -0.374 5.650 1.00 15.00 C ATOM 0 H LEU A 253 -0.694 1.507 1.550 1.00 15.00 H new ATOM 0 HA LEU A 253 -0.011 -0.892 3.129 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.394 1.418 2.700 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.488 1.854 4.136 1.00 15.00 H new ATOM 0 HG LEU A 253 2.371 -0.491 3.832 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.705 0.749 5.521 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.472 1.699 4.034 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.505 2.062 5.483 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.051 -0.872 6.239 1.00 15.00 H new ATOM 0 HD22 LEU A 253 0.787 0.381 6.262 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.547 -1.108 5.317 1.00 15.00 H new ATOM 311 N HIS A 254 -1.893 -0.675 4.667 1.00 15.00 N ATOM 312 CA HIS A 254 -2.915 -0.592 5.692 1.00 15.00 C ATOM 313 C HIS A 254 -2.448 -1.380 6.880 1.00 15.00 C ATOM 314 O HIS A 254 -2.674 -2.590 6.947 1.00 15.00 O ATOM 315 CB HIS A 254 -4.251 -1.161 5.194 1.00 15.00 C ATOM 316 CG HIS A 254 -5.314 -1.353 6.252 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.611 -2.589 6.794 1.00 15.00 N ATOM 318 CD2 HIS A 254 -6.154 -0.475 6.856 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.579 -2.463 7.683 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.928 -1.192 7.739 1.00 15.00 N ATOM 0 H HIS A 254 -1.520 -1.614 4.524 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.075 0.454 5.955 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.645 -0.496 4.425 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.061 -2.122 4.717 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -6.205 0.589 6.677 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -7.011 -3.264 8.265 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.655 -0.803 8.340 1.00 15.00 H new ATOM 329 N THR A 255 -1.751 -0.757 7.805 1.00 15.00 N ATOM 330 CA THR A 255 -1.310 -1.551 8.914 1.00 15.00 C ATOM 331 C THR A 255 -2.335 -1.505 10.031 1.00 15.00 C ATOM 332 O THR A 255 -2.331 -0.649 10.914 1.00 15.00 O ATOM 333 CB THR A 255 0.087 -1.110 9.416 1.00 15.00 C ATOM 334 OG1 THR A 255 0.419 -1.785 10.636 1.00 15.00 O ATOM 335 CG2 THR A 255 0.157 0.402 9.613 1.00 15.00 C ATOM 0 H THR A 255 -1.494 0.230 7.812 1.00 15.00 H new ATOM 0 HA THR A 255 -1.214 -2.582 8.574 1.00 15.00 H new ATOM 0 HB THR A 255 0.815 -1.384 8.652 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.305 -1.496 10.939 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.151 0.677 9.966 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.043 0.902 8.665 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.587 0.708 10.349 1.00 15.00 H new ATOM 343 N GLN A 256 -3.263 -2.429 9.910 1.00 15.00 N ATOM 344 CA GLN A 256 -3.972 -3.019 11.011 1.00 15.00 C ATOM 345 C GLN A 256 -3.330 -4.367 11.240 1.00 15.00 C ATOM 346 O GLN A 256 -2.837 -4.699 12.313 1.00 15.00 O ATOM 347 CB GLN A 256 -5.450 -3.148 10.650 1.00 15.00 C ATOM 348 CG GLN A 256 -6.317 -3.787 11.714 1.00 15.00 C ATOM 349 CD GLN A 256 -7.783 -3.718 11.347 1.00 15.00 C ATOM 350 OE1 GLN A 256 -8.222 -2.774 10.687 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.541 -4.724 11.737 1.00 15.00 N ATOM 0 H GLN A 256 -3.551 -2.800 9.005 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.919 -2.416 11.918 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.843 -2.155 10.431 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.535 -3.733 9.734 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -6.023 -4.828 11.848 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -6.155 -3.284 12.668 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -8.137 -5.486 12.282 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.531 -4.741 11.493 1.00 15.00 H new ATOM 360 N THR A 257 -3.320 -5.114 10.137 1.00 15.00 N ATOM 361 CA THR A 257 -2.748 -6.440 10.068 1.00 15.00 C ATOM 362 C THR A 257 -1.356 -6.405 9.549 1.00 15.00 C ATOM 363 O THR A 257 -0.563 -7.344 9.601 1.00 15.00 O ATOM 364 CB THR A 257 -3.637 -7.411 9.271 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.745 -6.961 7.914 1.00 15.00 O ATOM 366 CG2 THR A 257 -5.033 -7.483 9.876 1.00 15.00 C ATOM 0 H THR A 257 -3.720 -4.800 9.253 1.00 15.00 H new ATOM 0 HA THR A 257 -2.703 -6.825 11.087 1.00 15.00 H new ATOM 0 HB THR A 257 -3.181 -8.400 9.306 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.310 -7.581 7.408 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.645 -8.175 9.297 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.965 -7.833 10.906 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.489 -6.493 9.858 1.00 15.00 H new ATOM 374 N GLY A 258 -1.153 -5.279 9.056 1.00 15.00 N ATOM 375 CA GLY A 258 0.040 -4.914 8.313 1.00 15.00 C ATOM 376 C GLY A 258 -0.054 -5.248 6.832 1.00 15.00 C ATOM 377 O GLY A 258 0.614 -6.162 6.358 1.00 15.00 O ATOM 0 H GLY A 258 -1.823 -4.514 9.139 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.219 -3.845 8.428 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.900 -5.429 8.742 1.00 15.00 H new ATOM 381 N VAL A 259 -0.890 -4.513 6.102 1.00 15.00 N ATOM 382 CA VAL A 259 -1.004 -4.702 4.655 1.00 15.00 C ATOM 383 C VAL A 259 -0.032 -3.827 3.883 1.00 15.00 C ATOM 384 O VAL A 259 0.039 -2.622 4.090 1.00 15.00 O ATOM 385 CB VAL A 259 -2.435 -4.429 4.123 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.462 -4.421 2.601 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.381 -5.488 4.641 1.00 15.00 C ATOM 0 H VAL A 259 -1.495 -3.786 6.484 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.760 -5.752 4.492 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.749 -3.447 4.477 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.478 -4.227 2.256 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.798 -3.641 2.229 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.130 -5.389 2.226 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.386 -5.294 4.266 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.050 -6.469 4.301 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.390 -5.466 5.731 1.00 15.00 H new ATOM 397 N SER A 260 0.696 -4.465 2.991 1.00 15.00 N ATOM 398 CA SER A 260 1.520 -3.781 2.000 1.00 15.00 C ATOM 399 C SER A 260 1.465 -4.575 0.707 1.00 15.00 C ATOM 400 O SER A 260 2.134 -5.598 0.563 1.00 15.00 O ATOM 401 CB SER A 260 2.972 -3.604 2.471 1.00 15.00 C ATOM 402 OG SER A 260 3.372 -4.670 3.321 1.00 15.00 O ATOM 0 H SER A 260 0.737 -5.482 2.928 1.00 15.00 H new ATOM 0 HA SER A 260 1.126 -2.776 1.846 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.634 -3.557 1.606 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.072 -2.657 3.001 1.00 15.00 H new ATOM 0 HG SER A 260 4.300 -4.532 3.604 1.00 15.00 H new ATOM 408 N THR A 261 0.624 -4.135 -0.211 1.00 15.00 N ATOM 409 CA THR A 261 0.334 -4.925 -1.393 1.00 15.00 C ATOM 410 C THR A 261 0.246 -4.060 -2.645 1.00 15.00 C ATOM 411 O THR A 261 -0.103 -2.879 -2.579 1.00 15.00 O ATOM 412 CB THR A 261 -0.977 -5.725 -1.219 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.203 -6.558 -2.362 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.169 -4.798 -1.019 1.00 15.00 C ATOM 0 H THR A 261 0.133 -3.242 -0.162 1.00 15.00 H new ATOM 0 HA THR A 261 1.162 -5.622 -1.517 1.00 15.00 H new ATOM 0 HB THR A 261 -0.872 -6.346 -0.330 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.394 -7.473 -2.067 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.075 -5.391 -0.900 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.012 -4.191 -0.127 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.273 -4.147 -1.887 1.00 15.00 H new ATOM 422 N TRP A 262 0.595 -4.660 -3.777 1.00 15.00 N ATOM 423 CA TRP A 262 0.538 -3.983 -5.062 1.00 15.00 C ATOM 424 C TRP A 262 -0.901 -3.700 -5.488 1.00 15.00 C ATOM 425 O TRP A 262 -1.164 -2.737 -6.208 1.00 15.00 O ATOM 426 CB TRP A 262 1.192 -4.831 -6.149 1.00 15.00 C ATOM 427 CG TRP A 262 2.655 -5.073 -5.967 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.268 -6.252 -5.675 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.689 -4.115 -5.963 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.594 -6.126 -5.668 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.885 -4.835 -5.799 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.754 -2.733 -6.116 1.00 15.00 C ATOM 433 CZ2 TRP A 262 6.091 -4.248 -5.774 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.992 -2.151 -6.035 1.00 15.00 C ATOM 435 CH2 TRP A 262 6.127 -2.935 -5.867 1.00 15.00 C ATOM 0 H TRP A 262 0.923 -5.624 -3.828 1.00 15.00 H new ATOM 0 HA TRP A 262 1.073 -3.041 -4.941 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.683 -5.794 -6.193 1.00 15.00 H new ATOM 0 HB3 TRP A 262 1.037 -4.344 -7.112 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.745 -7.175 -5.474 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.268 -6.886 -5.578 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.866 -2.144 -6.291 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.996 -4.829 -5.681 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 5.086 -1.077 -6.102 1.00 15.00 H new ATOM 0 HH2 TRP A 262 7.087 -2.443 -5.810 1.00 15.00 H new ATOM 446 N HIS A 263 -1.826 -4.560 -5.078 1.00 15.00 N ATOM 447 CA HIS A 263 -3.194 -4.470 -5.567 1.00 15.00 C ATOM 448 C HIS A 263 -3.987 -3.447 -4.766 1.00 15.00 C ATOM 449 O HIS A 263 -3.897 -3.398 -3.539 1.00 15.00 O ATOM 450 CB HIS A 263 -3.891 -5.849 -5.544 1.00 15.00 C ATOM 451 CG HIS A 263 -4.564 -6.216 -4.248 1.00 15.00 C ATOM 452 ND1 HIS A 263 -5.883 -5.914 -3.981 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.111 -6.888 -3.162 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.205 -6.377 -2.789 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.151 -6.976 -2.271 1.00 15.00 N ATOM 0 H HIS A 263 -1.656 -5.318 -4.417 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.156 -4.136 -6.604 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.636 -5.873 -6.339 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.151 -6.614 -5.778 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.511 -5.411 -4.608 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.115 -7.282 -3.023 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.171 -6.281 -2.316 1.00 15.00 H new ATOM 464 N ASP A 264 -4.762 -2.639 -5.475 1.00 15.00 N ATOM 465 CA ASP A 264 -5.665 -1.684 -4.846 1.00 15.00 C ATOM 466 C ASP A 264 -6.606 -2.428 -3.899 1.00 15.00 C ATOM 467 O ASP A 264 -7.141 -3.477 -4.245 1.00 15.00 O ATOM 468 CB ASP A 264 -6.447 -0.932 -5.931 1.00 15.00 C ATOM 469 CG ASP A 264 -7.291 0.205 -5.390 1.00 15.00 C ATOM 470 OD1 ASP A 264 -8.242 -0.059 -4.627 1.00 15.00 O ATOM 471 OD2 ASP A 264 -7.022 1.372 -5.755 1.00 15.00 O1- ATOM 0 H ASP A 264 -4.784 -2.626 -6.495 1.00 15.00 H new ATOM 0 HA ASP A 264 -5.100 -0.955 -4.266 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.745 -0.536 -6.665 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -7.093 -1.636 -6.456 1.00 15.00 H new ATOM 476 N PRO A 265 -6.802 -1.916 -2.684 1.00 15.00 N ATOM 477 CA PRO A 265 -7.583 -2.600 -1.661 1.00 15.00 C ATOM 478 C PRO A 265 -9.075 -2.364 -1.765 1.00 15.00 C ATOM 479 O PRO A 265 -9.869 -3.045 -1.119 1.00 15.00 O ATOM 480 CB PRO A 265 -7.030 -2.015 -0.375 1.00 15.00 C ATOM 481 CG PRO A 265 -6.642 -0.618 -0.736 1.00 15.00 C ATOM 482 CD PRO A 265 -6.262 -0.637 -2.195 1.00 15.00 C ATOM 0 HA PRO A 265 -7.492 -3.683 -1.744 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.776 -2.027 0.420 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.173 -2.585 -0.016 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -7.468 0.071 -0.560 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.807 -0.278 -0.123 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.692 0.209 -2.731 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -5.181 -0.583 -2.327 1.00 15.00 H new ATOM 490 N ARG A 266 -9.448 -1.372 -2.541 1.00 15.00 N ATOM 491 CA ARG A 266 -10.843 -1.092 -2.789 1.00 15.00 C ATOM 492 C ARG A 266 -11.339 -2.037 -3.858 1.00 15.00 C ATOM 493 O ARG A 266 -12.522 -2.077 -4.209 1.00 15.00 O ATOM 494 CB ARG A 266 -10.976 0.343 -3.233 1.00 15.00 C ATOM 495 CG ARG A 266 -12.395 0.874 -3.200 1.00 15.00 C ATOM 496 CD ARG A 266 -13.010 0.744 -1.817 1.00 15.00 C ATOM 497 NE ARG A 266 -14.240 1.519 -1.683 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.969 1.574 -0.568 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.691 0.773 0.456 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -16.008 2.394 -0.492 1.00 15.00 N ATOM 0 H ARG A 266 -8.800 -0.742 -3.014 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.439 -1.235 -1.888 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.351 0.968 -2.595 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.589 0.435 -4.248 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.399 1.921 -3.504 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -13.004 0.330 -3.922 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -13.220 -0.306 -1.613 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.290 1.076 -1.069 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.561 2.051 -2.492 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -13.917 0.112 0.391 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.252 0.819 1.307 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.251 2.984 -1.287 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.564 2.434 0.362 1.00 15.00 H new ATOM 514 N ILE A 267 -10.389 -2.784 -4.367 1.00 15.00 N ATOM 515 CA ILE A 267 -10.654 -3.815 -5.362 1.00 15.00 C ATOM 516 C ILE A 267 -11.330 -5.013 -4.699 1.00 15.00 C ATOM 517 O ILE A 267 -10.624 -5.824 -4.059 1.00 15.00 O ATOM 518 CB ILE A 267 -9.366 -4.291 -6.080 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.618 -3.109 -6.709 1.00 15.00 C ATOM 520 CG2 ILE A 267 -9.698 -5.329 -7.144 1.00 15.00 C ATOM 521 CD1 ILE A 267 -9.441 -2.314 -7.704 1.00 15.00 C ATOM 522 OXT ILE A 267 -12.568 -5.136 -4.815 1.00 15.00 O ATOM 0 H ILE A 267 -9.406 -2.700 -4.108 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.309 -3.374 -6.113 1.00 15.00 H new ATOM 0 HB ILE A 267 -8.717 -4.749 -5.334 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -8.283 -2.441 -5.915 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.725 -3.483 -7.209 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -8.781 -5.651 -7.637 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -10.179 -6.188 -6.677 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.372 -4.892 -7.881 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -8.840 -1.497 -8.103 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -9.754 -2.965 -8.520 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -10.321 -1.908 -7.206 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 8.800 4.028 13.352 1.00 15.00 N ATOM 536 CA SER B 210 7.835 3.514 12.363 1.00 15.00 C ATOM 537 C SER B 210 8.419 3.578 10.954 1.00 15.00 C ATOM 538 O SER B 210 8.667 4.660 10.417 1.00 15.00 O ATOM 539 CB SER B 210 6.532 4.314 12.447 1.00 15.00 C ATOM 540 OG SER B 210 6.789 5.707 12.563 1.00 15.00 O ATOM 0 HA SER B 210 7.622 2.469 12.589 1.00 15.00 H new ATOM 0 HB2 SER B 210 5.929 4.126 11.559 1.00 15.00 H new ATOM 0 HB3 SER B 210 5.950 3.977 13.305 1.00 15.00 H new ATOM 0 HG SER B 210 7.648 5.845 13.014 1.00 15.00 H new ATOM 548 N ASP B 211 8.661 2.411 10.376 1.00 15.00 N ATOM 549 CA ASP B 211 9.193 2.308 9.024 1.00 15.00 C ATOM 550 C ASP B 211 8.598 1.096 8.311 1.00 15.00 C ATOM 551 O ASP B 211 8.735 -0.040 8.761 1.00 15.00 O ATOM 552 CB ASP B 211 10.732 2.243 9.029 1.00 15.00 C ATOM 553 CG ASP B 211 11.304 1.237 10.014 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.498 0.063 9.645 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 11.600 1.631 11.165 1.00 15.00 O ATOM 0 H ASP B 211 8.495 1.512 10.828 1.00 15.00 H new ATOM 0 HA ASP B 211 8.906 3.207 8.478 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.078 1.992 8.026 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.127 3.231 9.264 1.00 15.00 H new ATOM 560 N PRO B 212 7.887 1.338 7.203 1.00 15.00 N ATOM 561 CA PRO B 212 7.255 0.298 6.411 1.00 15.00 C ATOM 562 C PRO B 212 8.146 -0.205 5.281 1.00 15.00 C ATOM 563 O PRO B 212 8.958 0.543 4.734 1.00 15.00 O ATOM 564 CB PRO B 212 6.030 1.007 5.832 1.00 15.00 C ATOM 565 CG PRO B 212 6.256 2.481 6.017 1.00 15.00 C ATOM 566 CD PRO B 212 7.619 2.656 6.633 1.00 15.00 C ATOM 0 HA PRO B 212 7.028 -0.585 7.008 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.905 0.764 4.777 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.121 0.688 6.342 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.198 3.001 5.061 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.487 2.909 6.660 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.366 2.935 5.890 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.621 3.435 7.396 1.00 15.00 H new ATOM 574 N GLY B 213 7.957 -1.460 4.910 1.00 15.00 N ATOM 575 CA GLY B 213 8.737 -2.039 3.841 1.00 15.00 C ATOM 576 C GLY B 213 8.084 -1.860 2.485 1.00 15.00 C ATOM 577 O GLY B 213 6.877 -1.624 2.387 1.00 15.00 O ATOM 0 H GLY B 213 7.275 -2.090 5.332 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.726 -1.581 3.828 1.00 15.00 H new ATOM 0 HA3 GLY B 213 8.880 -3.102 4.034 1.00 15.00 H new HETATM 581 N SEP B 214 8.894 -1.960 1.451 1.00 15.00 N HETATM 582 CA SEP B 214 8.439 -1.882 0.075 1.00 15.00 C HETATM 583 CB SEP B 214 9.491 -1.219 -0.822 1.00 15.00 C HETATM 584 OG SEP B 214 10.809 -1.445 -0.368 1.00 15.00 O HETATM 585 C SEP B 214 8.069 -3.264 -0.466 1.00 15.00 C HETATM 586 O SEP B 214 8.484 -4.293 0.072 1.00 15.00 O HETATM 587 P SEP B 214 12.107 -0.800 -1.101 1.00 15.00 P HETATM 588 O1P SEP B 214 12.134 -1.246 -2.502 1.00 15.00 O HETATM 589 O2P SEP B 214 11.995 0.666 -1.038 1.00 15.00 O HETATM 590 O3P SEP B 214 13.315 -1.243 -0.390 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.390 -1.600 -1.838 1.00 15.00 H new HETATM 0 HB2 SEP B 214 9.304 -0.146 -0.864 1.00 15.00 H new HETATM 0 HA SEP B 214 7.543 -1.261 0.064 1.00 15.00 H new HETATM 0 H SEP B 214 9.812 -1.596 1.706 1.00 15.00 H new ATOM 595 N PRO B 215 7.286 -3.291 -1.554 1.00 15.00 N ATOM 596 CA PRO B 215 6.902 -4.532 -2.226 1.00 15.00 C ATOM 597 C PRO B 215 7.955 -4.915 -3.267 1.00 15.00 C ATOM 598 O PRO B 215 8.417 -4.070 -4.037 1.00 15.00 O ATOM 599 CB PRO B 215 5.662 -4.120 -3.031 1.00 15.00 C ATOM 600 CG PRO B 215 5.272 -2.808 -2.511 1.00 15.00 C ATOM 601 CD PRO B 215 6.541 -2.155 -2.070 1.00 15.00 C ATOM 0 HA PRO B 215 6.767 -5.352 -1.521 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.886 -4.068 -4.097 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.857 -4.845 -2.909 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.773 -2.216 -3.278 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.574 -2.908 -1.680 1.00 15.00 H new ATOM 0 HD2 PRO B 215 7.059 -1.665 -2.895 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.368 -1.396 -1.307 1.00 15.00 H new ATOM 609 N PHE B 216 8.377 -6.168 -3.268 1.00 15.00 N ATOM 610 CA PHE B 216 9.374 -6.612 -4.227 1.00 15.00 C ATOM 611 C PHE B 216 8.779 -7.616 -5.196 1.00 15.00 C ATOM 612 O PHE B 216 8.853 -8.824 -4.974 1.00 15.00 O ATOM 613 CB PHE B 216 10.598 -7.205 -3.527 1.00 15.00 C ATOM 614 CG PHE B 216 11.382 -6.200 -2.733 1.00 15.00 C ATOM 615 CD1 PHE B 216 12.397 -5.468 -3.329 1.00 15.00 C ATOM 616 CD2 PHE B 216 11.107 -5.987 -1.392 1.00 15.00 C ATOM 617 CE1 PHE B 216 13.123 -4.546 -2.603 1.00 15.00 C ATOM 618 CE2 PHE B 216 11.832 -5.066 -0.661 1.00 15.00 C ATOM 619 CZ PHE B 216 12.840 -4.346 -1.268 1.00 15.00 C ATOM 0 H PHE B 216 8.050 -6.888 -2.624 1.00 15.00 H new ATOM 0 HA PHE B 216 9.701 -5.738 -4.790 1.00 15.00 H new ATOM 0 HB2 PHE B 216 10.274 -8.007 -2.864 1.00 15.00 H new ATOM 0 HB3 PHE B 216 11.251 -7.655 -4.275 1.00 15.00 H new ATOM 0 HD1 PHE B 216 12.622 -5.621 -4.374 1.00 15.00 H new ATOM 0 HD2 PHE B 216 10.317 -6.547 -0.913 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.911 -3.982 -3.079 1.00 15.00 H new ATOM 0 HE2 PHE B 216 11.610 -4.910 0.384 1.00 15.00 H new ATOM 0 HZ PHE B 216 13.408 -3.626 -0.698 1.00 15.00 H new ATOM 629 N GLN B 217 8.134 -7.083 -6.230 1.00 15.00 N ATOM 630 CA GLN B 217 7.502 -7.885 -7.274 1.00 15.00 C ATOM 631 C GLN B 217 6.606 -8.958 -6.662 1.00 15.00 C ATOM 632 O GLN B 217 6.904 -10.155 -6.830 1.00 15.00 O ATOM 633 CB GLN B 217 8.556 -8.529 -8.186 1.00 15.00 C ATOM 634 CG GLN B 217 9.551 -7.547 -8.795 1.00 15.00 C ATOM 635 CD GLN B 217 8.883 -6.379 -9.494 1.00 15.00 C ATOM 636 OE1 GLN B 217 8.552 -6.451 -10.676 1.00 15.00 O ATOM 637 NE2 GLN B 217 8.709 -5.282 -8.774 1.00 15.00 N ATOM 638 OXT GLN B 217 5.628 -8.592 -5.978 1.00 15.00 O ATOM 0 H GLN B 217 8.034 -6.077 -6.368 1.00 15.00 H new ATOM 0 HA GLN B 217 6.885 -7.220 -7.879 1.00 15.00 H new ATOM 0 HB2 GLN B 217 9.106 -9.276 -7.613 1.00 15.00 H new ATOM 0 HB3 GLN B 217 8.047 -9.057 -8.992 1.00 15.00 H new ATOM 0 HG2 GLN B 217 10.204 -7.167 -8.010 1.00 15.00 H new ATOM 0 HG3 GLN B 217 10.184 -8.076 -9.508 1.00 15.00 H new ATOM 0 HE21 GLN B 217 8.997 -5.263 -7.796 1.00 15.00 H new ATOM 0 HE22 GLN B 217 8.287 -4.456 -9.197 1.00 15.00 H new TER 647 GLN B 217