USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 271 ASN :FLIP amide:sc= -7.86! C(o=-18!,f=-10!) USER MOD Set 1.2: A 272 MET CE :methyl 165:sc= -2.64 (180deg=-3.62) USER MOD Set 2.1: A 240 TYR OH : rot -47:sc= 0.239 USER MOD Set 2.2: A 281 ASN :FLIP amide:sc= 0.216 F(o=-1.9!,f=0.45) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 226 SER OG : rot 31:sc= 0.423 USER MOD Single : A 228 ASN :FLIP amide:sc= -3.78 F(o=-8.5!,f=-3.8) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 233 ASN :FLIP amide:sc= -1.49 F(o=-2.2,f=-1.5) USER MOD Single : A 235 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 236 ASN :FLIP amide:sc= -1.15 F(o=-2.4,f=-1.1) USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 ASN : amide:sc= -1.71! C(o=-1.7!,f=-8.7!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 16:sc= 1.26 USER MOD Single : A 266 LYS NZ :NH3+ -134:sc= 1.16 (180deg=-0.0677) USER MOD Single : A 268 THR OG1 : rot -25:sc= 1.05 USER MOD Single : A 269 LYS NZ :NH3+ -168:sc= -1.07 (180deg=-1.45) USER MOD Single : A 273 SER OG : rot 180:sc= 0.00193 USER MOD Single : A 275 GLN :FLIP amide:sc= -3.98! C(o=-6.9!,f=-4!) USER MOD Single : A 280 CYS SG : rot -45:sc= -21.1! USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.823 K(o=-0.82,f=-1.8) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 291 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.3) USER MOD Single : A 297 GLN : amide:sc= -1.27! X(o=-1.3!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 13.454 4.592 -2.730 1.00 4.69 N ATOM 2 CA GLY A 220 14.222 3.908 -1.661 1.00 4.23 C ATOM 3 C GLY A 220 14.229 2.402 -1.840 1.00 3.74 C ATOM 4 O GLY A 220 13.315 1.855 -2.461 1.00 3.79 O ATOM 0 HA2 GLY A 220 15.247 4.277 -1.659 1.00 4.23 H new ATOM 0 HA3 GLY A 220 13.792 4.156 -0.691 1.00 4.23 H new ATOM 10 N PRO A 221 15.261 1.715 -1.315 1.00 3.49 N ATOM 11 CA PRO A 221 15.358 0.240 -1.323 1.00 3.23 C ATOM 12 C PRO A 221 14.127 -0.420 -0.711 1.00 2.59 C ATOM 13 O PRO A 221 13.319 0.255 -0.065 1.00 2.75 O ATOM 14 CB PRO A 221 16.572 -0.022 -0.426 1.00 3.34 C ATOM 15 CG PRO A 221 17.408 1.195 -0.572 1.00 3.90 C ATOM 16 CD PRO A 221 16.436 2.332 -0.670 1.00 3.80 C ATOM 0 HA PRO A 221 15.440 -0.161 -2.333 1.00 3.23 H new ATOM 0 HB2 PRO A 221 16.274 -0.177 0.611 1.00 3.34 H new ATOM 0 HB3 PRO A 221 17.112 -0.915 -0.739 1.00 3.34 H new ATOM 0 HG2 PRO A 221 18.074 1.319 0.282 1.00 3.90 H new ATOM 0 HG3 PRO A 221 18.036 1.137 -1.461 1.00 3.90 H new ATOM 0 HD2 PRO A 221 16.190 2.738 0.311 1.00 3.80 H new ATOM 0 HD3 PRO A 221 16.836 3.154 -1.264 1.00 3.80 H new ATOM 24 N TYR A 222 13.953 -1.730 -0.884 1.00 2.37 N ATOM 25 CA TYR A 222 12.872 -2.365 -0.160 1.00 2.06 C ATOM 26 C TYR A 222 13.378 -2.796 1.210 1.00 2.25 C ATOM 27 O TYR A 222 13.857 -3.905 1.433 1.00 2.77 O ATOM 28 CB TYR A 222 12.255 -3.533 -0.954 1.00 2.28 C ATOM 29 CG TYR A 222 13.210 -4.649 -1.339 1.00 2.92 C ATOM 30 CD1 TYR A 222 14.167 -4.472 -2.331 1.00 3.43 C ATOM 31 CD2 TYR A 222 13.137 -5.889 -0.715 1.00 3.39 C ATOM 32 CE1 TYR A 222 15.023 -5.496 -2.689 1.00 4.30 C ATOM 33 CE2 TYR A 222 13.992 -6.916 -1.064 1.00 4.22 C ATOM 34 CZ TYR A 222 14.931 -6.714 -2.051 1.00 4.65 C ATOM 35 OH TYR A 222 15.780 -7.738 -2.402 1.00 5.60 O ATOM 0 H TYR A 222 14.513 -2.336 -1.483 1.00 2.37 H new ATOM 0 HA TYR A 222 12.063 -1.647 -0.022 1.00 2.06 H new ATOM 0 HB2 TYR A 222 11.445 -3.961 -0.363 1.00 2.28 H new ATOM 0 HB3 TYR A 222 11.808 -3.133 -1.864 1.00 2.28 H new ATOM 0 HD1 TYR A 222 14.243 -3.518 -2.831 1.00 3.43 H new ATOM 0 HD2 TYR A 222 12.399 -6.052 0.056 1.00 3.39 H new ATOM 0 HE1 TYR A 222 15.759 -5.343 -3.464 1.00 4.30 H new ATOM 0 HE2 TYR A 222 13.925 -7.872 -0.566 1.00 4.22 H new ATOM 0 HH TYR A 222 15.584 -8.528 -1.856 1.00 5.60 H new ATOM 45 N ALA A 223 13.298 -1.834 2.096 1.00 2.49 N ATOM 46 CA ALA A 223 13.554 -1.977 3.505 1.00 2.89 C ATOM 47 C ALA A 223 12.609 -1.023 4.192 1.00 2.33 C ATOM 48 O ALA A 223 12.013 -0.201 3.501 1.00 2.21 O ATOM 49 CB ALA A 223 15.005 -1.652 3.832 1.00 3.84 C ATOM 0 H ALA A 223 13.039 -0.882 1.839 1.00 2.49 H new ATOM 0 HA ALA A 223 13.393 -3.002 3.840 1.00 2.89 H new ATOM 0 HB1 ALA A 223 15.171 -1.768 4.903 1.00 3.84 H new ATOM 0 HB2 ALA A 223 15.662 -2.330 3.287 1.00 3.84 H new ATOM 0 HB3 ALA A 223 15.222 -0.625 3.540 1.00 3.84 H new ATOM 55 N GLN A 224 12.411 -1.128 5.494 1.00 2.43 N ATOM 56 CA GLN A 224 11.856 0.010 6.213 1.00 2.08 C ATOM 57 C GLN A 224 12.776 1.206 5.968 1.00 1.83 C ATOM 58 O GLN A 224 13.882 1.266 6.512 1.00 2.07 O ATOM 59 CB GLN A 224 11.704 -0.273 7.714 1.00 2.42 C ATOM 60 CG GLN A 224 12.959 -0.823 8.382 1.00 2.85 C ATOM 61 CD GLN A 224 12.784 -1.020 9.874 1.00 3.37 C ATOM 62 OE1 GLN A 224 12.344 -2.078 10.323 1.00 4.07 O ATOM 63 NE2 GLN A 224 13.132 -0.011 10.656 1.00 3.48 N ATOM 0 H GLN A 224 12.615 -1.953 6.059 1.00 2.43 H new ATOM 0 HA GLN A 224 10.851 0.219 5.845 1.00 2.08 H new ATOM 0 HB2 GLN A 224 11.414 0.649 8.217 1.00 2.42 H new ATOM 0 HB3 GLN A 224 10.890 -0.984 7.857 1.00 2.42 H new ATOM 0 HG2 GLN A 224 13.224 -1.775 7.922 1.00 2.85 H new ATOM 0 HG3 GLN A 224 13.790 -0.141 8.204 1.00 2.85 H new ATOM 0 HE21 GLN A 224 13.493 0.851 10.247 1.00 3.48 H new ATOM 0 HE22 GLN A 224 13.039 -0.095 11.668 1.00 3.48 H new ATOM 72 N PRO A 225 12.352 2.167 5.114 1.00 1.72 N ATOM 73 CA PRO A 225 13.223 3.254 4.655 1.00 1.92 C ATOM 74 C PRO A 225 13.637 4.173 5.798 1.00 2.14 C ATOM 75 O PRO A 225 14.366 5.143 5.595 1.00 2.66 O ATOM 76 CB PRO A 225 12.378 4.005 3.614 1.00 2.14 C ATOM 77 CG PRO A 225 11.227 3.113 3.310 1.00 2.04 C ATOM 78 CD PRO A 225 11.003 2.278 4.533 1.00 1.87 C ATOM 0 HA PRO A 225 14.159 2.878 4.241 1.00 1.92 H new ATOM 0 HB2 PRO A 225 12.038 4.964 4.004 1.00 2.14 H new ATOM 0 HB3 PRO A 225 12.959 4.215 2.716 1.00 2.14 H new ATOM 0 HG2 PRO A 225 10.338 3.695 3.069 1.00 2.04 H new ATOM 0 HG3 PRO A 225 11.440 2.485 2.445 1.00 2.04 H new ATOM 0 HD2 PRO A 225 10.305 2.753 5.223 1.00 1.87 H new ATOM 0 HD3 PRO A 225 10.590 1.301 4.284 1.00 1.87 H new ATOM 86 N SER A 226 13.128 3.866 6.993 1.00 1.95 N ATOM 87 CA SER A 226 13.599 4.468 8.230 1.00 2.16 C ATOM 88 C SER A 226 13.226 5.936 8.308 1.00 2.03 C ATOM 89 O SER A 226 14.002 6.769 8.777 1.00 2.18 O ATOM 90 CB SER A 226 15.106 4.304 8.345 1.00 2.66 C ATOM 91 OG SER A 226 15.494 2.956 8.130 1.00 3.31 O ATOM 0 H SER A 226 12.375 3.190 7.124 1.00 1.95 H new ATOM 0 HA SER A 226 13.115 3.956 9.061 1.00 2.16 H new ATOM 0 HB2 SER A 226 15.601 4.948 7.618 1.00 2.66 H new ATOM 0 HB3 SER A 226 15.435 4.627 9.333 1.00 2.66 H new ATOM 0 HG SER A 226 14.870 2.532 7.505 1.00 3.31 H new ATOM 97 N ILE A 227 12.030 6.245 7.849 1.00 1.95 N ATOM 98 CA ILE A 227 11.480 7.570 8.015 1.00 2.10 C ATOM 99 C ILE A 227 10.202 7.428 8.797 1.00 2.00 C ATOM 100 O ILE A 227 9.591 8.398 9.249 1.00 2.30 O ATOM 101 CB ILE A 227 11.194 8.274 6.665 1.00 2.25 C ATOM 102 CG1 ILE A 227 11.285 7.300 5.477 1.00 2.55 C ATOM 103 CG2 ILE A 227 12.146 9.438 6.468 1.00 2.41 C ATOM 104 CD1 ILE A 227 10.158 6.286 5.404 1.00 2.87 C ATOM 0 H ILE A 227 11.420 5.592 7.357 1.00 1.95 H new ATOM 0 HA ILE A 227 12.208 8.192 8.536 1.00 2.10 H new ATOM 0 HB ILE A 227 10.171 8.649 6.701 1.00 2.25 H new ATOM 0 HG12 ILE A 227 11.298 7.876 4.552 1.00 2.55 H new ATOM 0 HG13 ILE A 227 12.234 6.766 5.534 1.00 2.55 H new ATOM 0 HG21 ILE A 227 11.934 9.924 5.516 1.00 2.41 H new ATOM 0 HG22 ILE A 227 12.016 10.155 7.278 1.00 2.41 H new ATOM 0 HG23 ILE A 227 13.173 9.072 6.468 1.00 2.41 H new ATOM 0 HD11 ILE A 227 10.304 5.642 4.537 1.00 2.87 H new ATOM 0 HD12 ILE A 227 10.155 5.680 6.310 1.00 2.87 H new ATOM 0 HD13 ILE A 227 9.205 6.807 5.313 1.00 2.87 H new ATOM 116 N ASN A 228 9.854 6.161 8.946 1.00 1.79 N ATOM 117 CA ASN A 228 8.588 5.686 9.468 1.00 1.83 C ATOM 118 C ASN A 228 8.406 4.280 8.931 1.00 1.88 C ATOM 119 O ASN A 228 9.390 3.603 8.619 1.00 2.30 O ATOM 120 CB ASN A 228 7.402 6.589 9.068 1.00 2.31 C ATOM 121 CG ASN A 228 7.213 6.727 7.576 1.00 2.87 C ATOM 122 OD1 ASN A 228 7.865 7.723 7.008 1.00 3.55 O flip ATOM 123 ND2 ASN A 228 6.484 5.963 6.949 1.00 3.10 N flip ATOM 0 H ASN A 228 10.481 5.398 8.692 1.00 1.79 H new ATOM 0 HA ASN A 228 8.605 5.702 10.558 1.00 1.83 H new ATOM 0 HB2 ASN A 228 6.488 6.186 9.504 1.00 2.31 H new ATOM 0 HB3 ASN A 228 7.551 7.579 9.498 1.00 2.31 H new ATOM 0 HD21 ASN A 228 6.001 5.207 7.434 1.00 3.10 H new ATOM 0 HD22 ASN A 228 6.362 6.085 5.944 1.00 3.10 H new ATOM 130 N THR A 229 7.181 3.853 8.799 1.00 2.19 N ATOM 131 CA THR A 229 6.903 2.486 8.367 1.00 2.52 C ATOM 132 C THR A 229 5.819 2.446 7.291 1.00 2.03 C ATOM 133 O THR A 229 4.624 2.346 7.586 1.00 2.87 O ATOM 134 CB THR A 229 6.486 1.606 9.556 1.00 3.92 C ATOM 135 OG1 THR A 229 6.608 2.352 10.775 1.00 4.47 O ATOM 136 CG2 THR A 229 7.356 0.360 9.637 1.00 4.68 C ATOM 0 H THR A 229 6.353 4.420 8.981 1.00 2.19 H new ATOM 0 HA THR A 229 7.826 2.092 7.941 1.00 2.52 H new ATOM 0 HB THR A 229 5.450 1.300 9.411 1.00 3.92 H new ATOM 0 HG1 THR A 229 6.340 1.789 11.531 1.00 4.47 H new ATOM 0 HG21 THR A 229 7.043 -0.248 10.486 1.00 4.68 H new ATOM 0 HG22 THR A 229 7.251 -0.218 8.719 1.00 4.68 H new ATOM 0 HG23 THR A 229 8.398 0.652 9.765 1.00 4.68 H new ATOM 144 N PRO A 230 6.225 2.577 6.028 1.00 1.09 N ATOM 145 CA PRO A 230 5.363 2.470 4.879 1.00 1.06 C ATOM 146 C PRO A 230 5.499 1.153 4.126 1.00 1.08 C ATOM 147 O PRO A 230 6.396 0.348 4.381 1.00 1.84 O ATOM 148 CB PRO A 230 5.859 3.618 4.009 1.00 1.66 C ATOM 149 CG PRO A 230 7.246 3.935 4.494 1.00 1.77 C ATOM 150 CD PRO A 230 7.559 2.943 5.581 1.00 1.32 C ATOM 0 HA PRO A 230 4.310 2.508 5.157 1.00 1.06 H new ATOM 0 HB2 PRO A 230 5.869 3.334 2.957 1.00 1.66 H new ATOM 0 HB3 PRO A 230 5.206 4.486 4.099 1.00 1.66 H new ATOM 0 HG2 PRO A 230 7.968 3.859 3.681 1.00 1.77 H new ATOM 0 HG3 PRO A 230 7.300 4.955 4.874 1.00 1.77 H new ATOM 0 HD2 PRO A 230 8.116 2.085 5.206 1.00 1.32 H new ATOM 0 HD3 PRO A 230 8.154 3.384 6.381 1.00 1.32 H new ATOM 158 N LEU A 231 4.553 0.949 3.229 1.00 1.29 N ATOM 159 CA LEU A 231 4.626 -0.082 2.194 1.00 1.31 C ATOM 160 C LEU A 231 5.939 0.039 1.398 1.00 0.89 C ATOM 161 O LEU A 231 6.682 1.004 1.562 1.00 1.38 O ATOM 162 CB LEU A 231 3.425 0.090 1.255 1.00 2.04 C ATOM 163 CG LEU A 231 2.124 -0.576 1.708 1.00 2.75 C ATOM 164 CD1 LEU A 231 0.923 0.179 1.165 1.00 3.41 C ATOM 165 CD2 LEU A 231 2.086 -2.020 1.233 1.00 3.64 C ATOM 0 H LEU A 231 3.696 1.500 3.193 1.00 1.29 H new ATOM 0 HA LEU A 231 4.604 -1.068 2.658 1.00 1.31 H new ATOM 0 HB2 LEU A 231 3.239 1.156 1.125 1.00 2.04 H new ATOM 0 HB3 LEU A 231 3.693 -0.308 0.276 1.00 2.04 H new ATOM 0 HG LEU A 231 2.085 -0.556 2.797 1.00 2.75 H new ATOM 0 HD11 LEU A 231 0.006 -0.308 1.497 1.00 3.41 H new ATOM 0 HD12 LEU A 231 0.942 1.205 1.532 1.00 3.41 H new ATOM 0 HD13 LEU A 231 0.958 0.183 0.076 1.00 3.41 H new ATOM 0 HD21 LEU A 231 1.157 -2.486 1.560 1.00 3.64 H new ATOM 0 HD22 LEU A 231 2.142 -2.047 0.145 1.00 3.64 H new ATOM 0 HD23 LEU A 231 2.932 -2.564 1.653 1.00 3.64 H new ATOM 177 N PRO A 232 6.277 -0.947 0.552 1.00 1.28 N ATOM 178 CA PRO A 232 7.436 -0.830 -0.338 1.00 1.64 C ATOM 179 C PRO A 232 7.238 0.262 -1.396 1.00 1.09 C ATOM 180 O PRO A 232 6.201 0.920 -1.442 1.00 1.25 O ATOM 181 CB PRO A 232 7.534 -2.209 -0.994 1.00 2.66 C ATOM 182 CG PRO A 232 6.166 -2.788 -0.874 1.00 2.98 C ATOM 183 CD PRO A 232 5.593 -2.242 0.405 1.00 2.18 C ATOM 0 HA PRO A 232 8.339 -0.546 0.202 1.00 1.64 H new ATOM 0 HB2 PRO A 232 7.839 -2.130 -2.037 1.00 2.66 H new ATOM 0 HB3 PRO A 232 8.273 -2.834 -0.492 1.00 2.66 H new ATOM 0 HG2 PRO A 232 5.549 -2.509 -1.728 1.00 2.98 H new ATOM 0 HG3 PRO A 232 6.204 -3.877 -0.850 1.00 2.98 H new ATOM 0 HD2 PRO A 232 4.511 -2.122 0.343 1.00 2.18 H new ATOM 0 HD3 PRO A 232 5.792 -2.901 1.250 1.00 2.18 H new ATOM 191 N ASN A 233 8.237 0.461 -2.245 1.00 0.77 N ATOM 192 CA ASN A 233 8.184 1.505 -3.243 1.00 0.98 C ATOM 193 C ASN A 233 7.657 0.984 -4.574 1.00 0.61 C ATOM 194 O ASN A 233 7.891 -0.169 -4.938 1.00 1.31 O ATOM 195 CB ASN A 233 9.580 2.093 -3.430 1.00 2.09 C ATOM 196 CG ASN A 233 9.977 3.080 -2.342 1.00 2.85 C ATOM 197 OD1 ASN A 233 9.390 2.952 -1.162 1.00 3.08 O flip ATOM 198 ND2 ASN A 233 10.807 3.959 -2.568 1.00 3.66 N flip ATOM 0 H ASN A 233 9.094 -0.092 -2.257 1.00 0.77 H new ATOM 0 HA ASN A 233 7.496 2.276 -2.896 1.00 0.98 H new ATOM 0 HB2 ASN A 233 10.307 1.281 -3.455 1.00 2.09 H new ATOM 0 HB3 ASN A 233 9.628 2.593 -4.397 1.00 2.09 H new ATOM 0 HD21 ASN A 233 11.239 4.028 -3.489 1.00 3.66 H new ATOM 0 HD22 ASN A 233 11.063 4.619 -1.834 1.00 3.66 H new ATOM 205 N LEU A 234 6.922 1.847 -5.274 1.00 0.89 N ATOM 206 CA LEU A 234 6.577 1.651 -6.689 1.00 0.65 C ATOM 207 C LEU A 234 7.841 1.275 -7.443 1.00 0.63 C ATOM 208 O LEU A 234 7.862 0.396 -8.299 1.00 0.85 O ATOM 209 CB LEU A 234 6.008 2.985 -7.205 1.00 0.57 C ATOM 210 CG LEU A 234 5.602 3.113 -8.682 1.00 0.55 C ATOM 211 CD1 LEU A 234 6.808 3.372 -9.571 1.00 0.90 C ATOM 212 CD2 LEU A 234 4.856 1.888 -9.158 1.00 0.86 C ATOM 0 H LEU A 234 6.545 2.708 -4.877 1.00 0.89 H new ATOM 0 HA LEU A 234 5.842 0.858 -6.827 1.00 0.65 H new ATOM 0 HB2 LEU A 234 5.130 3.220 -6.603 1.00 0.57 H new ATOM 0 HB3 LEU A 234 6.750 3.757 -7.002 1.00 0.57 H new ATOM 0 HG LEU A 234 4.934 3.971 -8.755 1.00 0.55 H new ATOM 0 HD11 LEU A 234 6.484 3.457 -10.608 1.00 0.90 H new ATOM 0 HD12 LEU A 234 7.293 4.299 -9.265 1.00 0.90 H new ATOM 0 HD13 LEU A 234 7.513 2.546 -9.478 1.00 0.90 H new ATOM 0 HD21 LEU A 234 4.584 2.012 -10.206 1.00 0.86 H new ATOM 0 HD22 LEU A 234 5.492 1.010 -9.050 1.00 0.86 H new ATOM 0 HD23 LEU A 234 3.953 1.757 -8.562 1.00 0.86 H new ATOM 224 N GLN A 235 8.885 1.974 -7.060 1.00 0.59 N ATOM 225 CA GLN A 235 10.226 1.780 -7.517 1.00 0.72 C ATOM 226 C GLN A 235 10.697 0.336 -7.418 1.00 0.76 C ATOM 227 O GLN A 235 11.407 -0.161 -8.288 1.00 0.99 O ATOM 228 CB GLN A 235 11.035 2.642 -6.596 1.00 0.79 C ATOM 229 CG GLN A 235 11.812 3.733 -7.285 1.00 1.06 C ATOM 230 CD GLN A 235 13.254 3.365 -7.585 1.00 1.32 C ATOM 231 OE1 GLN A 235 13.508 2.101 -7.891 1.00 1.98 O flip ATOM 232 NE2 GLN A 235 14.137 4.225 -7.570 1.00 1.70 N flip ATOM 0 H GLN A 235 8.808 2.733 -6.383 1.00 0.59 H new ATOM 0 HA GLN A 235 10.320 2.031 -8.573 1.00 0.72 H new ATOM 0 HB2 GLN A 235 10.368 3.096 -5.863 1.00 0.79 H new ATOM 0 HB3 GLN A 235 11.731 2.010 -6.045 1.00 0.79 H new ATOM 0 HG2 GLN A 235 11.311 3.989 -8.218 1.00 1.06 H new ATOM 0 HG3 GLN A 235 11.798 4.626 -6.660 1.00 1.06 H new ATOM 0 HE21 GLN A 235 13.906 5.189 -7.330 1.00 1.70 H new ATOM 0 HE22 GLN A 235 15.099 3.973 -7.798 1.00 1.70 H new ATOM 241 N ASN A 236 10.311 -0.314 -6.339 1.00 0.64 N ATOM 242 CA ASN A 236 10.789 -1.643 -6.036 1.00 0.65 C ATOM 243 C ASN A 236 9.952 -2.702 -6.745 1.00 0.57 C ATOM 244 O ASN A 236 10.441 -3.786 -7.057 1.00 0.61 O ATOM 245 CB ASN A 236 10.765 -1.874 -4.523 1.00 0.75 C ATOM 246 CG ASN A 236 11.629 -0.887 -3.752 1.00 0.95 C ATOM 247 OD1 ASN A 236 11.299 -0.663 -2.484 1.00 1.48 O flip ATOM 248 ND2 ASN A 236 12.594 -0.347 -4.281 1.00 1.06 N flip ATOM 0 H ASN A 236 9.660 0.064 -5.651 1.00 0.64 H new ATOM 0 HA ASN A 236 11.815 -1.728 -6.395 1.00 0.65 H new ATOM 0 HB2 ASN A 236 9.737 -1.802 -4.167 1.00 0.75 H new ATOM 0 HB3 ASN A 236 11.105 -2.888 -4.311 1.00 0.75 H new ATOM 0 HD21 ASN A 236 12.817 -0.543 -5.257 1.00 1.06 H new ATOM 0 HD22 ASN A 236 13.174 0.299 -3.745 1.00 1.06 H new ATOM 255 N GLY A 237 8.692 -2.383 -6.990 1.00 0.55 N ATOM 256 CA GLY A 237 7.810 -3.310 -7.652 1.00 0.52 C ATOM 257 C GLY A 237 7.134 -2.683 -8.868 1.00 0.52 C ATOM 258 O GLY A 237 7.717 -2.662 -9.950 1.00 0.65 O ATOM 0 H GLY A 237 8.265 -1.491 -6.739 1.00 0.55 H new ATOM 0 HA2 GLY A 237 8.375 -4.189 -7.963 1.00 0.52 H new ATOM 0 HA3 GLY A 237 7.050 -3.652 -6.950 1.00 0.52 H new ATOM 262 N PRO A 238 5.899 -2.163 -8.723 1.00 0.40 N ATOM 263 CA PRO A 238 5.149 -2.199 -7.474 1.00 0.28 C ATOM 264 C PRO A 238 4.802 -3.565 -7.022 1.00 0.28 C ATOM 265 O PRO A 238 4.310 -4.417 -7.758 1.00 0.41 O ATOM 266 CB PRO A 238 3.911 -1.368 -7.741 1.00 0.25 C ATOM 267 CG PRO A 238 3.765 -1.342 -9.209 1.00 0.59 C ATOM 268 CD PRO A 238 5.160 -1.453 -9.769 1.00 0.43 C ATOM 0 HA PRO A 238 5.753 -1.806 -6.656 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.033 -1.807 -7.267 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.020 -0.361 -7.339 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.140 -2.166 -9.553 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.286 -0.420 -9.537 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.171 -2.003 -10.710 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.591 -0.472 -9.968 1.00 0.43 H new ATOM 276 N PHE A 239 5.056 -3.715 -5.761 1.00 0.24 N ATOM 277 CA PHE A 239 4.977 -4.982 -5.115 1.00 0.26 C ATOM 278 C PHE A 239 3.545 -5.222 -4.694 1.00 0.22 C ATOM 279 O PHE A 239 2.822 -4.271 -4.441 1.00 0.26 O ATOM 280 CB PHE A 239 5.879 -5.010 -3.882 1.00 0.38 C ATOM 281 CG PHE A 239 7.354 -5.198 -4.124 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.825 -5.963 -5.173 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.270 -4.653 -3.242 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.180 -6.179 -5.339 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.624 -4.856 -3.407 1.00 0.79 C ATOM 286 CZ PHE A 239 10.080 -5.622 -4.456 1.00 0.78 C ATOM 0 H PHE A 239 5.328 -2.949 -5.145 1.00 0.24 H new ATOM 0 HA PHE A 239 5.306 -5.759 -5.805 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.740 -4.076 -3.338 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.537 -5.813 -3.229 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.126 -6.398 -5.872 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.919 -4.059 -2.411 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.534 -6.784 -6.161 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.325 -4.415 -2.714 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.139 -5.786 -4.587 1.00 0.78 H new ATOM 296 N TYR A 240 3.131 -6.465 -4.584 1.00 0.22 N ATOM 297 CA TYR A 240 1.824 -6.742 -4.081 1.00 0.21 C ATOM 298 C TYR A 240 1.982 -6.812 -2.591 1.00 0.19 C ATOM 299 O TYR A 240 3.108 -6.857 -2.104 1.00 0.23 O ATOM 300 CB TYR A 240 1.285 -8.069 -4.623 1.00 0.24 C ATOM 301 CG TYR A 240 0.300 -7.981 -5.778 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.306 -6.783 -6.152 1.00 0.43 C ATOM 303 CD2 TYR A 240 -0.058 -9.133 -6.471 1.00 0.64 C ATOM 304 CE1 TYR A 240 -1.236 -6.744 -7.177 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.975 -9.097 -7.500 1.00 0.79 C ATOM 306 CZ TYR A 240 -1.565 -7.903 -7.845 1.00 0.69 C ATOM 307 OH TYR A 240 -2.494 -7.868 -8.861 1.00 0.88 O ATOM 0 H TYR A 240 3.682 -7.286 -4.836 1.00 0.22 H new ATOM 0 HA TYR A 240 1.111 -5.976 -4.387 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.132 -8.676 -4.943 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.803 -8.601 -3.803 1.00 0.24 H new ATOM 0 HD1 TYR A 240 -0.046 -5.871 -5.635 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.392 -10.076 -6.197 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.701 -5.809 -7.452 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -1.229 -10.002 -8.033 1.00 0.79 H new ATOM 0 HH TYR A 240 -3.280 -7.361 -8.568 1.00 0.88 H new ATOM 317 N ALA A 241 0.908 -6.763 -1.865 1.00 0.14 N ATOM 318 CA ALA A 241 0.987 -6.977 -0.457 1.00 0.15 C ATOM 319 C ALA A 241 -0.330 -7.444 0.101 1.00 0.11 C ATOM 320 O ALA A 241 -1.364 -6.899 -0.208 1.00 0.12 O ATOM 321 CB ALA A 241 1.461 -5.713 0.237 1.00 0.24 C ATOM 0 H ALA A 241 -0.029 -6.577 -2.224 1.00 0.14 H new ATOM 0 HA ALA A 241 1.714 -7.767 -0.270 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.518 -5.887 1.311 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.447 -5.439 -0.139 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.759 -4.903 0.037 1.00 0.24 H new ATOM 327 N ARG A 242 -0.282 -8.444 0.937 1.00 0.10 N ATOM 328 CA ARG A 242 -1.484 -8.984 1.514 1.00 0.08 C ATOM 329 C ARG A 242 -1.948 -8.092 2.657 1.00 0.08 C ATOM 330 O ARG A 242 -1.373 -8.111 3.741 1.00 0.11 O ATOM 331 CB ARG A 242 -1.225 -10.388 2.031 1.00 0.10 C ATOM 332 CG ARG A 242 -2.408 -11.045 2.745 1.00 0.10 C ATOM 333 CD ARG A 242 -3.417 -11.618 1.774 1.00 0.11 C ATOM 334 NE ARG A 242 -2.779 -12.452 0.754 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.358 -12.797 -0.391 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.597 -12.404 -0.654 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.700 -13.547 -1.268 1.00 0.43 N ATOM 0 H ARG A 242 0.579 -8.903 1.235 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.260 -9.025 0.750 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.931 -11.019 1.192 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.379 -10.355 2.717 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.042 -11.839 3.396 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.898 -10.310 3.384 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.151 -12.210 2.320 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -3.959 -10.805 1.291 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.833 -12.789 0.933 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.107 -11.836 0.023 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.040 -12.669 -1.533 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.751 -13.858 -1.062 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.144 -13.812 -2.147 1.00 0.43 H new ATOM 351 N VAL A 243 -2.972 -7.301 2.413 1.00 0.07 N ATOM 352 CA VAL A 243 -3.515 -6.441 3.425 1.00 0.08 C ATOM 353 C VAL A 243 -4.049 -7.280 4.571 1.00 0.11 C ATOM 354 O VAL A 243 -4.616 -8.343 4.353 1.00 0.14 O ATOM 355 CB VAL A 243 -4.643 -5.543 2.862 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.656 -6.353 2.069 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.335 -4.829 3.994 1.00 0.18 C ATOM 0 H VAL A 243 -3.444 -7.241 1.511 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.717 -5.790 3.782 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.192 -4.816 2.187 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.434 -5.691 1.689 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.156 -6.843 1.234 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.106 -7.107 2.716 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -6.129 -4.197 3.595 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.764 -5.561 4.678 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.614 -4.211 4.529 1.00 0.18 H new ATOM 367 N ILE A 244 -3.850 -6.818 5.788 1.00 0.12 N ATOM 368 CA ILE A 244 -4.360 -7.551 6.937 1.00 0.16 C ATOM 369 C ILE A 244 -5.197 -6.673 7.818 1.00 0.13 C ATOM 370 O ILE A 244 -5.641 -7.107 8.872 1.00 0.17 O ATOM 371 CB ILE A 244 -3.281 -8.156 7.837 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.231 -7.102 8.167 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.703 -9.388 7.200 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.558 -7.293 9.505 1.00 0.61 C ATOM 0 H ILE A 244 -3.350 -5.957 6.009 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.939 -8.358 6.488 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.719 -8.474 8.783 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.470 -7.107 7.387 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.701 -6.119 8.147 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -1.936 -9.809 7.851 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.493 -10.123 7.047 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.260 -9.127 6.239 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.826 -6.501 9.660 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.306 -7.256 10.297 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.056 -8.260 9.525 1.00 0.61 H new ATOM 386 N GLN A 245 -5.363 -5.438 7.396 1.00 0.11 N ATOM 387 CA GLN A 245 -6.225 -4.486 8.077 1.00 0.12 C ATOM 388 C GLN A 245 -6.371 -3.256 7.225 1.00 0.11 C ATOM 389 O GLN A 245 -5.492 -2.403 7.159 1.00 0.12 O ATOM 390 CB GLN A 245 -5.703 -4.108 9.470 1.00 0.15 C ATOM 391 CG GLN A 245 -6.221 -5.005 10.577 1.00 0.21 C ATOM 392 CD GLN A 245 -6.053 -4.411 11.961 1.00 0.33 C ATOM 393 OE1 GLN A 245 -5.031 -4.613 12.613 1.00 1.05 O ATOM 394 NE2 GLN A 245 -7.058 -3.684 12.423 1.00 1.20 N ATOM 0 H GLN A 245 -4.903 -5.061 6.567 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.195 -4.961 8.225 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.614 -4.146 9.463 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.985 -3.078 9.687 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.277 -5.211 10.404 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.699 -5.961 10.534 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.889 -3.540 11.850 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -7.001 -3.267 13.352 1.00 1.20 H new ATOM 403 N LYS A 246 -7.453 -3.223 6.505 1.00 0.12 N ATOM 404 CA LYS A 246 -7.802 -2.080 5.709 1.00 0.12 C ATOM 405 C LYS A 246 -9.283 -1.834 5.907 1.00 0.15 C ATOM 406 O LYS A 246 -9.994 -2.703 6.417 1.00 0.19 O ATOM 407 CB LYS A 246 -7.421 -2.378 4.266 1.00 0.12 C ATOM 408 CG LYS A 246 -7.095 -1.187 3.351 1.00 0.13 C ATOM 409 CD LYS A 246 -5.782 -1.435 2.625 1.00 0.14 C ATOM 410 CE LYS A 246 -4.627 -0.894 3.393 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.332 -1.139 2.696 1.00 0.21 N ATOM 0 H LYS A 246 -8.122 -3.991 6.452 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.272 -1.172 5.997 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.554 -3.038 4.278 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.240 -2.935 3.811 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.898 -1.042 2.628 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.027 -0.273 3.940 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.648 -2.505 2.468 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.816 -0.970 1.640 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.761 0.177 3.544 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.600 -1.354 4.381 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.553 -0.747 3.263 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.191 -2.162 2.574 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.347 -0.679 1.764 1.00 0.21 H new ATOM 425 N ARG A 247 -9.741 -0.674 5.542 1.00 0.16 N ATOM 426 CA ARG A 247 -11.129 -0.339 5.677 1.00 0.16 C ATOM 427 C ARG A 247 -11.760 -0.552 4.324 1.00 0.14 C ATOM 428 O ARG A 247 -11.037 -0.801 3.362 1.00 0.14 O ATOM 429 CB ARG A 247 -11.277 1.114 6.140 1.00 0.17 C ATOM 430 CG ARG A 247 -10.905 2.139 5.081 1.00 0.18 C ATOM 431 CD ARG A 247 -10.795 3.553 5.638 1.00 0.23 C ATOM 432 NE ARG A 247 -11.978 4.372 5.339 1.00 0.49 N ATOM 433 CZ ARG A 247 -13.019 4.538 6.156 1.00 0.63 C ATOM 434 NH1 ARG A 247 -13.084 3.892 7.316 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.001 5.357 5.801 1.00 0.63 N ATOM 0 H ARG A 247 -9.165 0.067 5.143 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.620 -0.961 6.425 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.309 1.283 6.449 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.651 1.271 7.019 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.955 1.857 4.628 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.653 2.123 4.288 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.655 3.504 6.718 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -9.910 4.035 5.223 1.00 0.23 H new ATOM 0 HE ARG A 247 -12.005 4.850 4.438 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -12.332 3.260 7.591 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -13.886 4.028 7.931 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -13.955 5.852 4.911 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.802 5.491 6.419 1.00 0.63 H new ATOM 449 N VAL A 248 -13.072 -0.544 4.230 1.00 0.15 N ATOM 450 CA VAL A 248 -13.681 -0.409 2.937 1.00 0.15 C ATOM 451 C VAL A 248 -14.040 1.050 2.711 1.00 0.14 C ATOM 452 O VAL A 248 -15.097 1.528 3.123 1.00 0.16 O ATOM 453 CB VAL A 248 -14.901 -1.327 2.750 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.745 -0.861 1.580 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.435 -2.749 2.516 1.00 0.21 C ATOM 0 H VAL A 248 -13.718 -0.627 5.015 1.00 0.15 H new ATOM 0 HA VAL A 248 -12.960 -0.730 2.186 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.511 -1.288 3.652 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.603 -1.523 1.464 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.093 0.155 1.764 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.146 -0.880 0.669 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.300 -3.398 2.384 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.814 -2.786 1.621 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.855 -3.088 3.375 1.00 0.21 H new ATOM 465 N PRO A 249 -13.102 1.792 2.118 1.00 0.13 N ATOM 466 CA PRO A 249 -13.290 3.135 1.702 1.00 0.15 C ATOM 467 C PRO A 249 -13.616 3.168 0.224 1.00 0.16 C ATOM 468 O PRO A 249 -14.275 2.272 -0.304 1.00 0.17 O ATOM 469 CB PRO A 249 -11.911 3.761 1.961 1.00 0.16 C ATOM 470 CG PRO A 249 -10.942 2.615 1.990 1.00 0.14 C ATOM 471 CD PRO A 249 -11.751 1.379 1.801 1.00 0.13 C ATOM 0 HA PRO A 249 -14.102 3.651 2.215 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.651 4.473 1.178 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -11.900 4.307 2.905 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.196 2.716 1.201 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.403 2.586 2.937 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.677 1.006 0.779 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.414 0.577 2.458 1.00 0.13 H new ATOM 479 N ASN A 250 -13.152 4.198 -0.423 1.00 0.17 N ATOM 480 CA ASN A 250 -13.163 4.284 -1.863 1.00 0.20 C ATOM 481 C ASN A 250 -12.280 5.431 -2.282 1.00 0.21 C ATOM 482 O ASN A 250 -11.650 6.073 -1.444 1.00 0.19 O ATOM 483 CB ASN A 250 -14.568 4.463 -2.450 1.00 0.24 C ATOM 484 CG ASN A 250 -15.391 5.502 -1.724 1.00 0.69 C ATOM 485 OD1 ASN A 250 -15.269 6.692 -1.984 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.255 5.055 -0.826 1.00 1.28 N ATOM 0 H ASN A 250 -12.749 5.015 0.037 1.00 0.17 H new ATOM 0 HA ASN A 250 -12.790 3.337 -2.253 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.483 4.745 -3.499 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.092 3.508 -2.419 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -16.851 5.711 -0.321 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -16.325 4.055 -0.639 1.00 1.28 H new ATOM 493 N ALA A 251 -12.228 5.688 -3.568 1.00 0.26 N ATOM 494 CA ALA A 251 -11.369 6.728 -4.080 1.00 0.31 C ATOM 495 C ALA A 251 -11.903 8.123 -3.773 1.00 0.37 C ATOM 496 O ALA A 251 -11.207 9.113 -3.955 1.00 0.42 O ATOM 497 CB ALA A 251 -11.161 6.545 -5.570 1.00 0.39 C ATOM 0 H ALA A 251 -12.769 5.192 -4.277 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.408 6.641 -3.573 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.511 7.335 -5.946 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.699 5.576 -5.757 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.123 6.593 -6.080 1.00 0.39 H new ATOM 503 N TYR A 252 -13.136 8.208 -3.321 1.00 0.39 N ATOM 504 CA TYR A 252 -13.682 9.477 -2.877 1.00 0.47 C ATOM 505 C TYR A 252 -13.322 9.690 -1.426 1.00 0.46 C ATOM 506 O TYR A 252 -13.182 10.814 -0.942 1.00 0.56 O ATOM 507 CB TYR A 252 -15.192 9.487 -3.031 1.00 0.57 C ATOM 508 CG TYR A 252 -15.659 9.301 -4.451 1.00 0.95 C ATOM 509 CD1 TYR A 252 -14.829 9.588 -5.530 1.00 1.30 C ATOM 510 CD2 TYR A 252 -16.937 8.849 -4.707 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.274 9.427 -6.827 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.389 8.682 -6.000 1.00 1.76 C ATOM 513 CZ TYR A 252 -16.555 8.974 -7.057 1.00 1.98 C ATOM 514 OH TYR A 252 -17.004 8.815 -8.346 1.00 2.53 O ATOM 0 H TYR A 252 -13.778 7.419 -3.251 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.263 10.278 -3.487 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.616 8.696 -2.412 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.580 10.432 -2.651 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -13.824 9.941 -5.351 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.595 8.622 -3.881 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -14.622 9.655 -7.657 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.392 8.324 -6.182 1.00 1.76 H new ATOM 0 HH TYR A 252 -17.927 8.487 -8.333 1.00 2.53 H new ATOM 524 N ASP A 253 -13.155 8.571 -0.757 1.00 0.40 N ATOM 525 CA ASP A 253 -12.837 8.518 0.639 1.00 0.43 C ATOM 526 C ASP A 253 -11.370 8.738 0.813 1.00 0.38 C ATOM 527 O ASP A 253 -10.621 7.780 1.000 1.00 0.34 O ATOM 528 CB ASP A 253 -13.153 7.117 1.115 1.00 0.44 C ATOM 529 CG ASP A 253 -13.809 7.055 2.483 1.00 0.56 C ATOM 530 OD1 ASP A 253 -15.022 7.331 2.580 1.00 0.80 O ATOM 531 OD2 ASP A 253 -13.121 6.693 3.466 1.00 0.88 O ATOM 0 H ASP A 253 -13.241 7.651 -1.188 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.398 9.272 1.191 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.809 6.638 0.388 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.230 6.538 1.141 1.00 0.44 H new ATOM 536 N LYS A 254 -10.954 9.992 0.739 1.00 0.43 N ATOM 537 CA LYS A 254 -9.563 10.348 0.953 1.00 0.41 C ATOM 538 C LYS A 254 -8.668 9.691 -0.074 1.00 0.31 C ATOM 539 O LYS A 254 -7.455 9.783 0.019 1.00 0.28 O ATOM 540 CB LYS A 254 -9.174 9.894 2.345 1.00 0.45 C ATOM 541 CG LYS A 254 -10.178 10.365 3.359 1.00 0.60 C ATOM 542 CD LYS A 254 -10.005 9.698 4.707 1.00 0.74 C ATOM 543 CE LYS A 254 -10.881 8.460 4.823 1.00 0.79 C ATOM 544 NZ LYS A 254 -10.861 7.900 6.200 1.00 1.32 N ATOM 0 H LYS A 254 -11.564 10.783 0.531 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.442 11.427 0.851 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.106 8.806 2.372 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.187 10.282 2.596 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -10.088 11.445 3.478 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.183 10.168 2.987 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.960 9.422 4.848 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.259 10.402 5.500 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.905 8.712 4.547 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.537 7.704 4.117 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -11.469 7.057 6.241 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -9.887 7.637 6.454 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -11.212 8.613 6.870 1.00 1.32 H new ATOM 558 N THR A 255 -9.299 9.049 -1.049 1.00 0.28 N ATOM 559 CA THR A 255 -8.663 8.102 -1.929 1.00 0.22 C ATOM 560 C THR A 255 -8.034 7.041 -1.068 1.00 0.15 C ATOM 561 O THR A 255 -6.886 7.152 -0.643 1.00 0.14 O ATOM 562 CB THR A 255 -7.634 8.698 -2.938 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.581 9.403 -2.273 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.313 9.632 -3.922 1.00 0.55 C ATOM 0 H THR A 255 -10.291 9.182 -1.247 1.00 0.28 H new ATOM 0 HA THR A 255 -9.437 7.696 -2.581 1.00 0.22 H new ATOM 0 HB THR A 255 -7.202 7.854 -3.476 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.578 9.165 -1.322 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.572 10.033 -4.614 1.00 0.55 H new ATOM 0 HG22 THR A 255 -9.071 9.083 -4.481 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.784 10.452 -3.380 1.00 0.55 H new ATOM 572 N ALA A 256 -8.866 6.106 -0.670 1.00 0.13 N ATOM 573 CA ALA A 256 -8.432 5.015 0.154 1.00 0.11 C ATOM 574 C ALA A 256 -8.749 3.645 -0.479 1.00 0.10 C ATOM 575 O ALA A 256 -9.564 3.540 -1.394 1.00 0.12 O ATOM 576 CB ALA A 256 -9.029 5.176 1.531 1.00 0.13 C ATOM 0 H ALA A 256 -9.857 6.085 -0.910 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.346 5.040 0.241 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.706 4.352 2.166 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.697 6.120 1.964 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.117 5.173 1.459 1.00 0.13 H new ATOM 582 N LEU A 257 -8.119 2.601 0.058 1.00 0.10 N ATOM 583 CA LEU A 257 -8.169 1.245 -0.517 1.00 0.09 C ATOM 584 C LEU A 257 -9.310 0.414 0.008 1.00 0.09 C ATOM 585 O LEU A 257 -9.328 0.077 1.188 1.00 0.11 O ATOM 586 CB LEU A 257 -6.882 0.496 -0.183 1.00 0.11 C ATOM 587 CG LEU A 257 -5.657 0.894 -0.960 1.00 0.19 C ATOM 588 CD1 LEU A 257 -5.998 1.287 -2.383 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.926 2.014 -0.267 1.00 0.21 C ATOM 0 H LEU A 257 -7.556 2.665 0.906 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.303 1.382 -1.590 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.673 0.632 0.878 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.055 -0.569 -0.340 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.003 0.023 -1.004 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.087 1.568 -2.911 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.467 0.444 -2.891 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.686 2.132 -2.372 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.044 2.286 -0.846 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.584 2.879 -0.180 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.621 1.689 0.728 1.00 0.21 H new ATOM 601 N ALA A 258 -10.216 0.004 -0.879 1.00 0.10 N ATOM 602 CA ALA A 258 -11.344 -0.799 -0.452 1.00 0.11 C ATOM 603 C ALA A 258 -11.021 -2.253 -0.526 1.00 0.11 C ATOM 604 O ALA A 258 -11.169 -2.903 -1.559 1.00 0.14 O ATOM 605 CB ALA A 258 -12.553 -0.504 -1.287 1.00 0.14 C ATOM 0 H ALA A 258 -10.187 0.213 -1.877 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.561 -0.541 0.585 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.388 -1.118 -0.949 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.815 0.550 -1.189 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.337 -0.729 -2.332 1.00 0.14 H new ATOM 611 N LEU A 259 -10.584 -2.758 0.589 1.00 0.10 N ATOM 612 CA LEU A 259 -10.259 -4.154 0.702 1.00 0.12 C ATOM 613 C LEU A 259 -10.356 -4.605 2.141 1.00 0.12 C ATOM 614 O LEU A 259 -10.466 -3.783 3.050 1.00 0.12 O ATOM 615 CB LEU A 259 -8.858 -4.417 0.172 1.00 0.14 C ATOM 616 CG LEU A 259 -7.987 -3.177 0.083 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.595 -3.484 0.545 1.00 0.49 C ATOM 618 CD2 LEU A 259 -7.966 -2.647 -1.322 1.00 0.55 C ATOM 0 H LEU A 259 -10.442 -2.220 1.444 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.975 -4.721 0.106 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.368 -5.147 0.817 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.934 -4.867 -0.818 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.410 -2.411 0.734 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -5.982 -2.585 0.475 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.622 -3.826 1.580 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.167 -4.265 -0.084 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.337 -1.758 -1.366 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.566 -3.408 -1.992 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -8.980 -2.389 -1.629 1.00 0.55 H new ATOM 630 N GLU A 260 -10.301 -5.904 2.350 1.00 0.15 N ATOM 631 CA GLU A 260 -10.460 -6.449 3.682 1.00 0.16 C ATOM 632 C GLU A 260 -9.143 -7.021 4.174 1.00 0.15 C ATOM 633 O GLU A 260 -8.194 -7.177 3.417 1.00 0.16 O ATOM 634 CB GLU A 260 -11.557 -7.527 3.688 1.00 0.21 C ATOM 635 CG GLU A 260 -11.537 -8.449 4.897 1.00 0.23 C ATOM 636 CD GLU A 260 -12.883 -8.567 5.576 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.415 -7.534 6.034 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.397 -9.698 5.690 1.00 0.92 O ATOM 0 H GLU A 260 -10.148 -6.599 1.619 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.762 -5.649 4.358 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.529 -7.037 3.638 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.458 -8.131 2.786 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.206 -9.440 4.585 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.805 -8.080 5.616 1.00 0.23 H new ATOM 645 N VAL A 261 -9.072 -7.253 5.455 1.00 0.16 N ATOM 646 CA VAL A 261 -8.053 -8.091 6.026 1.00 0.16 C ATOM 647 C VAL A 261 -7.953 -9.429 5.294 1.00 0.17 C ATOM 648 O VAL A 261 -8.933 -10.170 5.198 1.00 0.21 O ATOM 649 CB VAL A 261 -8.401 -8.381 7.477 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.406 -9.358 8.084 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.486 -7.081 8.231 1.00 0.18 C ATOM 0 H VAL A 261 -9.723 -6.864 6.137 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.102 -7.564 5.941 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.375 -8.866 7.541 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.674 -9.552 9.123 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.426 -10.293 7.524 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.404 -8.931 8.041 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.735 -7.280 9.273 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.526 -6.567 8.180 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.258 -6.453 7.787 1.00 0.18 H new ATOM 661 N GLY A 262 -6.772 -9.735 4.793 1.00 0.17 N ATOM 662 CA GLY A 262 -6.545 -11.003 4.151 1.00 0.18 C ATOM 663 C GLY A 262 -6.660 -10.904 2.660 1.00 0.17 C ATOM 664 O GLY A 262 -6.481 -11.880 1.930 1.00 0.19 O ATOM 0 H GLY A 262 -5.959 -9.120 4.821 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.553 -11.371 4.415 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.265 -11.732 4.523 1.00 0.18 H new ATOM 668 N GLU A 263 -6.976 -9.719 2.218 1.00 0.16 N ATOM 669 CA GLU A 263 -7.029 -9.407 0.824 1.00 0.17 C ATOM 670 C GLU A 263 -5.667 -8.937 0.404 1.00 0.13 C ATOM 671 O GLU A 263 -4.703 -9.145 1.126 1.00 0.11 O ATOM 672 CB GLU A 263 -8.095 -8.348 0.687 1.00 0.18 C ATOM 673 CG GLU A 263 -9.379 -8.836 1.326 1.00 0.21 C ATOM 674 CD GLU A 263 -10.314 -9.511 0.345 1.00 0.51 C ATOM 675 OE1 GLU A 263 -9.950 -10.579 -0.189 1.00 0.75 O ATOM 676 OE2 GLU A 263 -11.408 -8.971 0.089 1.00 0.84 O ATOM 0 H GLU A 263 -7.207 -8.934 2.827 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.281 -10.252 0.183 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.768 -7.424 1.164 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.264 -8.121 -0.366 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.136 -9.535 2.126 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.893 -7.991 1.785 1.00 0.21 H new ATOM 683 N LEU A 264 -5.547 -8.311 -0.728 1.00 0.17 N ATOM 684 CA LEU A 264 -4.254 -7.795 -1.090 1.00 0.18 C ATOM 685 C LEU A 264 -4.357 -6.457 -1.766 1.00 0.17 C ATOM 686 O LEU A 264 -5.347 -6.116 -2.415 1.00 0.31 O ATOM 687 CB LEU A 264 -3.423 -8.852 -1.840 1.00 0.48 C ATOM 688 CG LEU A 264 -2.974 -8.669 -3.311 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.242 -7.381 -3.584 1.00 0.36 C ATOM 690 CD2 LEU A 264 -2.005 -9.771 -3.627 1.00 0.83 C ATOM 0 H LEU A 264 -6.297 -8.147 -1.399 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.687 -7.590 -0.182 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -2.517 -9.009 -1.255 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -3.992 -9.781 -1.801 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.882 -8.672 -3.913 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.965 -7.336 -4.637 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -2.888 -6.537 -3.342 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -1.342 -7.337 -2.970 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -1.667 -9.673 -4.659 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.148 -9.706 -2.956 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.495 -10.736 -3.496 1.00 0.83 H new ATOM 702 N VAL A 265 -3.304 -5.716 -1.566 1.00 0.19 N ATOM 703 CA VAL A 265 -3.174 -4.382 -2.025 1.00 0.19 C ATOM 704 C VAL A 265 -1.826 -4.230 -2.706 1.00 0.24 C ATOM 705 O VAL A 265 -0.863 -4.854 -2.303 1.00 0.47 O ATOM 706 CB VAL A 265 -3.255 -3.457 -0.806 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.943 -3.420 -0.072 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.633 -2.067 -1.133 1.00 0.27 C ATOM 0 H VAL A 265 -2.485 -6.048 -1.057 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.961 -4.130 -2.735 1.00 0.19 H new ATOM 0 HB VAL A 265 -4.042 -3.883 -0.184 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.026 -2.757 0.789 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.687 -4.424 0.267 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.163 -3.052 -0.739 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.669 -1.475 -0.218 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.896 -1.640 -1.813 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.613 -2.059 -1.609 1.00 0.27 H new ATOM 718 N LYS A 266 -1.746 -3.449 -3.743 1.00 0.14 N ATOM 719 CA LYS A 266 -0.464 -3.186 -4.341 1.00 0.15 C ATOM 720 C LYS A 266 -0.037 -1.800 -3.954 1.00 0.32 C ATOM 721 O LYS A 266 -0.876 -0.965 -3.675 1.00 0.74 O ATOM 722 CB LYS A 266 -0.511 -3.329 -5.861 1.00 0.26 C ATOM 723 CG LYS A 266 0.879 -3.436 -6.469 1.00 0.42 C ATOM 724 CD LYS A 266 0.939 -3.034 -7.937 1.00 0.57 C ATOM 725 CE LYS A 266 0.017 -3.867 -8.817 1.00 0.96 C ATOM 726 NZ LYS A 266 0.630 -5.174 -9.183 1.00 1.84 N ATOM 0 H LYS A 266 -2.539 -2.987 -4.189 1.00 0.14 H new ATOM 0 HA LYS A 266 0.257 -3.918 -3.977 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -1.090 -4.214 -6.124 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.029 -2.471 -6.290 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.564 -2.806 -5.901 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.232 -4.462 -6.368 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.671 -1.982 -8.032 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.964 -3.135 -8.295 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -0.924 -4.041 -8.295 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -0.220 -3.310 -9.724 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 0.499 -5.346 -10.200 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 1.646 -5.155 -8.963 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 0.173 -5.935 -8.642 1.00 1.84 H new ATOM 740 N VAL A 267 1.246 -1.567 -3.842 1.00 0.14 N ATOM 741 CA VAL A 267 1.706 -0.225 -3.661 1.00 0.16 C ATOM 742 C VAL A 267 2.391 0.247 -4.930 1.00 0.20 C ATOM 743 O VAL A 267 3.468 -0.220 -5.294 1.00 0.23 O ATOM 744 CB VAL A 267 2.620 -0.066 -2.435 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.909 -0.860 -2.573 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.879 1.407 -2.207 1.00 0.22 C ATOM 0 H VAL A 267 1.975 -2.279 -3.873 1.00 0.14 H new ATOM 0 HA VAL A 267 0.838 0.403 -3.463 1.00 0.16 H new ATOM 0 HB VAL A 267 2.117 -0.478 -1.561 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.522 -0.716 -1.683 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.674 -1.918 -2.685 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.457 -0.515 -3.450 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.527 1.533 -1.339 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.364 1.832 -3.086 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.933 1.920 -2.031 1.00 0.22 H new ATOM 756 N THR A 268 1.744 1.190 -5.583 1.00 0.21 N ATOM 757 CA THR A 268 2.124 1.638 -6.890 1.00 0.24 C ATOM 758 C THR A 268 2.441 3.119 -6.872 1.00 0.24 C ATOM 759 O THR A 268 2.720 3.718 -7.906 1.00 0.35 O ATOM 760 CB THR A 268 0.982 1.386 -7.891 1.00 0.26 C ATOM 761 OG1 THR A 268 1.338 1.881 -9.188 1.00 0.31 O ATOM 762 CG2 THR A 268 -0.294 2.061 -7.403 1.00 0.24 C ATOM 0 H THR A 268 0.926 1.670 -5.207 1.00 0.21 H new ATOM 0 HA THR A 268 3.010 1.081 -7.194 1.00 0.24 H new ATOM 0 HB THR A 268 0.810 0.312 -7.965 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.007 2.591 -9.095 1.00 0.31 H new ATOM 0 HG21 THR A 268 -1.098 1.879 -8.116 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.572 1.654 -6.431 1.00 0.24 H new ATOM 0 HG23 THR A 268 -0.126 3.134 -7.312 1.00 0.24 H new ATOM 770 N LYS A 269 2.375 3.727 -5.708 1.00 0.20 N ATOM 771 CA LYS A 269 2.708 5.115 -5.608 1.00 0.23 C ATOM 772 C LYS A 269 3.732 5.329 -4.530 1.00 0.28 C ATOM 773 O LYS A 269 3.756 4.629 -3.530 1.00 0.45 O ATOM 774 CB LYS A 269 1.483 5.957 -5.299 1.00 0.25 C ATOM 775 CG LYS A 269 0.932 6.796 -6.453 1.00 0.49 C ATOM 776 CD LYS A 269 2.005 7.481 -7.292 1.00 0.59 C ATOM 777 CE LYS A 269 2.799 8.483 -6.476 1.00 0.49 C ATOM 778 NZ LYS A 269 1.910 9.452 -5.768 1.00 1.40 N ATOM 0 H LYS A 269 2.097 3.282 -4.833 1.00 0.20 H new ATOM 0 HA LYS A 269 3.113 5.424 -6.572 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.691 5.295 -4.949 1.00 0.25 H new ATOM 0 HB3 LYS A 269 1.727 6.627 -4.474 1.00 0.25 H new ATOM 0 HG2 LYS A 269 0.334 6.155 -7.101 1.00 0.49 H new ATOM 0 HG3 LYS A 269 0.262 7.555 -6.049 1.00 0.49 H new ATOM 0 HD2 LYS A 269 2.680 6.730 -7.704 1.00 0.59 H new ATOM 0 HD3 LYS A 269 1.538 7.988 -8.137 1.00 0.59 H new ATOM 0 HE2 LYS A 269 3.412 7.953 -5.747 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.480 9.026 -7.131 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 2.481 10.235 -5.391 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 1.205 9.827 -6.434 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 1.424 8.969 -4.985 1.00 1.40 H new ATOM 792 N ILE A 270 4.594 6.268 -4.784 1.00 0.31 N ATOM 793 CA ILE A 270 5.516 6.773 -3.801 1.00 0.34 C ATOM 794 C ILE A 270 5.189 8.241 -3.574 1.00 0.38 C ATOM 795 O ILE A 270 5.519 9.086 -4.402 1.00 0.42 O ATOM 796 CB ILE A 270 6.989 6.661 -4.263 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.169 5.708 -5.460 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.869 6.197 -3.114 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.657 6.243 -6.791 1.00 1.44 C ATOM 0 H ILE A 270 4.681 6.715 -5.697 1.00 0.31 H new ATOM 0 HA ILE A 270 5.411 6.181 -2.892 1.00 0.34 H new ATOM 0 HB ILE A 270 7.288 7.657 -4.588 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.229 5.474 -5.563 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.656 4.772 -5.240 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.902 6.123 -3.454 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.807 6.914 -2.296 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.530 5.221 -2.767 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.828 5.501 -7.571 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.589 6.449 -6.714 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.187 7.162 -7.042 1.00 1.44 H new ATOM 811 N ASN A 271 4.514 8.541 -2.482 1.00 0.40 N ATOM 812 CA ASN A 271 4.075 9.905 -2.212 1.00 0.47 C ATOM 813 C ASN A 271 4.360 10.283 -0.768 1.00 0.49 C ATOM 814 O ASN A 271 4.902 9.476 -0.021 1.00 0.51 O ATOM 815 CB ASN A 271 2.576 10.054 -2.544 1.00 0.52 C ATOM 816 CG ASN A 271 1.611 9.536 -1.488 1.00 0.57 C ATOM 817 OD1 ASN A 271 2.045 8.606 -0.666 1.00 0.94 O flip ATOM 818 ND2 ASN A 271 0.478 10.003 -1.396 1.00 0.46 N flip ATOM 0 H ASN A 271 4.256 7.863 -1.765 1.00 0.40 H new ATOM 0 HA ASN A 271 4.635 10.589 -2.849 1.00 0.47 H new ATOM 0 HB2 ASN A 271 2.364 11.109 -2.717 1.00 0.52 H new ATOM 0 HB3 ASN A 271 2.376 9.532 -3.480 1.00 0.52 H new ATOM 0 HD21 ASN A 271 0.169 10.724 -2.048 1.00 0.46 H new ATOM 0 HD22 ASN A 271 -0.153 9.670 -0.667 1.00 0.46 H new ATOM 825 N MET A 272 3.990 11.499 -0.384 1.00 0.55 N ATOM 826 CA MET A 272 4.153 11.963 0.994 1.00 0.61 C ATOM 827 C MET A 272 5.627 11.972 1.385 1.00 0.57 C ATOM 828 O MET A 272 6.514 12.020 0.530 1.00 0.59 O ATOM 829 CB MET A 272 3.404 11.051 1.973 1.00 0.78 C ATOM 830 CG MET A 272 1.985 10.705 1.578 1.00 0.63 C ATOM 831 SD MET A 272 1.046 9.983 2.940 1.00 0.77 S ATOM 832 CE MET A 272 0.122 8.714 2.078 1.00 0.59 C ATOM 0 H MET A 272 3.572 12.187 -1.010 1.00 0.55 H new ATOM 0 HA MET A 272 3.745 12.972 1.046 1.00 0.61 H new ATOM 0 HB2 MET A 272 3.968 10.125 2.086 1.00 0.78 H new ATOM 0 HB3 MET A 272 3.384 11.533 2.950 1.00 0.78 H new ATOM 0 HG2 MET A 272 1.479 11.605 1.229 1.00 0.63 H new ATOM 0 HG3 MET A 272 2.004 10.005 0.743 1.00 0.63 H new ATOM 0 HE1 MET A 272 -0.296 8.014 2.801 1.00 0.59 H new ATOM 0 HE2 MET A 272 -0.686 9.175 1.510 1.00 0.59 H new ATOM 0 HE3 MET A 272 0.785 8.180 1.398 1.00 0.59 H new ATOM 842 N SER A 273 5.882 11.929 2.685 1.00 0.68 N ATOM 843 CA SER A 273 7.226 11.805 3.198 1.00 0.75 C ATOM 844 C SER A 273 7.413 10.450 3.880 1.00 0.85 C ATOM 845 O SER A 273 8.482 10.150 4.416 1.00 1.04 O ATOM 846 CB SER A 273 7.497 12.943 4.174 1.00 0.89 C ATOM 847 OG SER A 273 6.351 13.221 4.960 1.00 1.24 O ATOM 0 H SER A 273 5.162 11.979 3.406 1.00 0.68 H new ATOM 0 HA SER A 273 7.937 11.865 2.374 1.00 0.75 H new ATOM 0 HB2 SER A 273 8.332 12.679 4.823 1.00 0.89 H new ATOM 0 HB3 SER A 273 7.791 13.837 3.624 1.00 0.89 H new ATOM 0 HG SER A 273 6.549 13.954 5.580 1.00 1.24 H new ATOM 853 N GLY A 274 6.369 9.623 3.841 1.00 0.80 N ATOM 854 CA GLY A 274 6.420 8.338 4.498 1.00 0.97 C ATOM 855 C GLY A 274 5.488 7.334 3.884 1.00 0.85 C ATOM 856 O GLY A 274 5.924 6.421 3.203 1.00 1.00 O ATOM 0 H GLY A 274 5.490 9.826 3.364 1.00 0.80 H new ATOM 0 HA2 GLY A 274 7.439 7.954 4.456 1.00 0.97 H new ATOM 0 HA3 GLY A 274 6.169 8.463 5.551 1.00 0.97 H new ATOM 860 N GLN A 275 4.204 7.526 4.093 1.00 0.69 N ATOM 861 CA GLN A 275 3.210 6.551 3.664 1.00 0.58 C ATOM 862 C GLN A 275 2.950 6.735 2.188 1.00 0.47 C ATOM 863 O GLN A 275 3.110 7.832 1.670 1.00 0.48 O ATOM 864 CB GLN A 275 1.933 6.721 4.486 1.00 0.64 C ATOM 865 CG GLN A 275 2.201 6.902 5.979 1.00 0.79 C ATOM 866 CD GLN A 275 2.540 5.619 6.732 1.00 1.11 C ATOM 867 OE1 GLN A 275 3.200 4.671 6.082 1.00 1.87 O flip ATOM 868 NE2 GLN A 275 2.223 5.493 7.914 1.00 1.33 N flip ATOM 0 H GLN A 275 3.818 8.348 4.558 1.00 0.69 H new ATOM 0 HA GLN A 275 3.576 5.537 3.827 1.00 0.58 H new ATOM 0 HB2 GLN A 275 1.381 7.585 4.115 1.00 0.64 H new ATOM 0 HB3 GLN A 275 1.296 5.849 4.340 1.00 0.64 H new ATOM 0 HG2 GLN A 275 3.024 7.606 6.103 1.00 0.79 H new ATOM 0 HG3 GLN A 275 1.322 7.354 6.439 1.00 0.79 H new ATOM 0 HE21 GLN A 275 1.715 6.240 8.388 1.00 1.33 H new ATOM 0 HE22 GLN A 275 2.468 4.642 8.420 1.00 1.33 H new ATOM 877 N TRP A 276 2.589 5.672 1.497 1.00 0.41 N ATOM 878 CA TRP A 276 2.389 5.773 0.068 1.00 0.33 C ATOM 879 C TRP A 276 0.980 5.382 -0.323 1.00 0.23 C ATOM 880 O TRP A 276 0.147 5.070 0.531 1.00 0.22 O ATOM 881 CB TRP A 276 3.367 4.910 -0.721 1.00 0.41 C ATOM 882 CG TRP A 276 4.679 4.614 -0.050 1.00 0.62 C ATOM 883 CD1 TRP A 276 5.052 3.436 0.517 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.795 5.494 0.097 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.328 3.532 1.010 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.807 4.787 0.770 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.035 6.806 -0.269 1.00 0.52 C ATOM 888 CZ2 TRP A 276 8.040 5.357 1.081 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.256 7.379 0.038 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.246 6.653 0.708 1.00 0.82 C ATOM 0 H TRP A 276 2.431 4.746 1.894 1.00 0.41 H new ATOM 0 HA TRP A 276 2.566 6.820 -0.180 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.879 3.963 -0.953 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.571 5.404 -1.671 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.433 2.553 0.571 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.838 2.785 1.481 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.279 7.376 -0.788 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.803 4.794 1.598 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.448 8.404 -0.244 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.190 7.127 0.934 1.00 0.82 H new ATOM 901 N GLU A 277 0.729 5.412 -1.625 1.00 0.19 N ATOM 902 CA GLU A 277 -0.541 5.032 -2.174 1.00 0.16 C ATOM 903 C GLU A 277 -0.412 3.670 -2.784 1.00 0.19 C ATOM 904 O GLU A 277 0.676 3.141 -2.875 1.00 0.48 O ATOM 905 CB GLU A 277 -1.004 6.059 -3.199 1.00 0.15 C ATOM 906 CG GLU A 277 -1.576 7.311 -2.585 1.00 0.23 C ATOM 907 CD GLU A 277 -1.469 8.503 -3.514 1.00 0.27 C ATOM 908 OE1 GLU A 277 -0.403 8.679 -4.152 1.00 1.03 O ATOM 909 OE2 GLU A 277 -2.455 9.257 -3.634 1.00 0.92 O ATOM 0 H GLU A 277 1.412 5.704 -2.324 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.294 4.998 -1.387 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.162 6.329 -3.836 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.757 5.604 -3.842 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.623 7.144 -2.330 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.052 7.529 -1.654 1.00 0.23 H new ATOM 916 N GLY A 278 -1.522 3.121 -3.184 1.00 0.39 N ATOM 917 CA GLY A 278 -1.570 1.789 -3.687 1.00 0.34 C ATOM 918 C GLY A 278 -2.694 1.654 -4.671 1.00 0.28 C ATOM 919 O GLY A 278 -3.465 2.594 -4.867 1.00 0.32 O ATOM 0 H GLY A 278 -2.425 3.594 -3.168 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.624 1.538 -4.166 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.708 1.086 -2.866 1.00 0.34 H new ATOM 923 N GLU A 279 -2.794 0.499 -5.271 1.00 0.22 N ATOM 924 CA GLU A 279 -3.873 0.186 -6.141 1.00 0.18 C ATOM 925 C GLU A 279 -4.084 -1.291 -6.078 1.00 0.13 C ATOM 926 O GLU A 279 -3.213 -2.088 -6.422 1.00 0.14 O ATOM 927 CB GLU A 279 -3.641 0.630 -7.565 1.00 0.25 C ATOM 928 CG GLU A 279 -4.939 0.648 -8.337 1.00 0.27 C ATOM 929 CD GLU A 279 -5.055 -0.468 -9.354 1.00 0.66 C ATOM 930 OE1 GLU A 279 -5.233 -1.630 -8.946 1.00 0.99 O ATOM 931 OE2 GLU A 279 -4.985 -0.181 -10.566 1.00 1.08 O ATOM 0 H GLU A 279 -2.115 -0.254 -5.162 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.758 0.730 -5.810 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.194 1.624 -7.573 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.933 -0.042 -8.050 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.770 0.577 -7.636 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -5.035 1.606 -8.848 1.00 0.27 H new ATOM 938 N CYS A 280 -5.210 -1.642 -5.550 1.00 0.10 N ATOM 939 CA CYS A 280 -5.545 -3.012 -5.336 1.00 0.12 C ATOM 940 C CYS A 280 -6.602 -3.445 -6.312 1.00 0.15 C ATOM 941 O CYS A 280 -7.789 -3.331 -6.025 1.00 0.19 O ATOM 942 CB CYS A 280 -6.073 -3.088 -3.950 1.00 0.17 C ATOM 943 SG CYS A 280 -5.819 -1.555 -3.082 1.00 1.52 S ATOM 0 H CYS A 280 -5.929 -0.982 -5.253 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.682 -3.662 -5.476 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.137 -3.323 -3.975 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.580 -3.899 -3.414 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.608 -1.131 -3.295 1.00 1.52 H new ATOM 949 N ASN A 281 -6.163 -3.935 -7.454 1.00 0.18 N ATOM 950 CA ASN A 281 -7.067 -4.363 -8.512 1.00 0.25 C ATOM 951 C ASN A 281 -8.238 -3.385 -8.661 1.00 0.23 C ATOM 952 O ASN A 281 -9.400 -3.785 -8.760 1.00 0.32 O ATOM 953 CB ASN A 281 -7.546 -5.795 -8.254 1.00 0.33 C ATOM 954 CG ASN A 281 -6.481 -6.835 -8.590 1.00 0.48 C ATOM 955 OD1 ASN A 281 -5.208 -6.448 -8.522 1.00 1.04 O flip ATOM 956 ND2 ASN A 281 -6.797 -7.973 -8.932 1.00 0.69 N flip ATOM 0 H ASN A 281 -5.174 -4.049 -7.678 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.526 -4.360 -9.459 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -7.831 -5.897 -7.207 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.439 -5.989 -8.848 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -7.781 -8.238 -8.974 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -6.075 -8.652 -9.174 1.00 0.69 H new ATOM 963 N GLY A 282 -7.903 -2.096 -8.692 1.00 0.17 N ATOM 964 CA GLY A 282 -8.877 -1.066 -8.956 1.00 0.18 C ATOM 965 C GLY A 282 -9.248 -0.200 -7.757 1.00 0.16 C ATOM 966 O GLY A 282 -9.973 0.783 -7.924 1.00 0.28 O ATOM 0 H GLY A 282 -6.956 -1.750 -8.535 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.494 -0.420 -9.746 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.783 -1.535 -9.339 1.00 0.18 H new ATOM 970 N LYS A 283 -8.756 -0.512 -6.559 1.00 0.10 N ATOM 971 CA LYS A 283 -8.866 0.445 -5.460 1.00 0.10 C ATOM 972 C LYS A 283 -7.575 1.195 -5.367 1.00 0.09 C ATOM 973 O LYS A 283 -6.515 0.616 -5.552 1.00 0.12 O ATOM 974 CB LYS A 283 -9.127 -0.160 -4.077 1.00 0.11 C ATOM 975 CG LYS A 283 -10.350 -1.054 -3.978 1.00 0.15 C ATOM 976 CD LYS A 283 -10.125 -2.405 -4.635 1.00 0.14 C ATOM 977 CE LYS A 283 -11.362 -3.266 -4.589 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.262 -4.430 -5.510 1.00 0.38 N ATOM 0 H LYS A 283 -8.292 -1.390 -6.328 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.731 1.063 -5.700 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.251 -0.737 -3.780 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.232 0.652 -3.358 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.608 -1.200 -2.929 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.199 -0.559 -4.449 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.823 -2.258 -5.672 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.305 -2.920 -4.134 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.519 -3.621 -3.571 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.232 -2.666 -4.855 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.132 -4.997 -5.449 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -11.137 -4.091 -6.485 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.447 -5.017 -5.241 1.00 0.38 H new ATOM 992 N ARG A 284 -7.664 2.460 -5.059 1.00 0.07 N ATOM 993 CA ARG A 284 -6.490 3.282 -4.902 1.00 0.09 C ATOM 994 C ARG A 284 -6.621 4.159 -3.686 1.00 0.11 C ATOM 995 O ARG A 284 -7.725 4.515 -3.282 1.00 0.13 O ATOM 996 CB ARG A 284 -6.253 4.138 -6.116 1.00 0.11 C ATOM 997 CG ARG A 284 -6.209 3.316 -7.367 1.00 0.20 C ATOM 998 CD ARG A 284 -5.358 3.986 -8.415 1.00 0.35 C ATOM 999 NE ARG A 284 -5.620 3.481 -9.761 1.00 0.68 N ATOM 1000 CZ ARG A 284 -4.841 3.737 -10.811 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -3.754 4.482 -10.667 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -5.147 3.253 -12.010 1.00 1.46 N ATOM 0 H ARG A 284 -8.546 2.950 -4.910 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.637 2.615 -4.778 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -7.044 4.883 -6.197 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.314 4.680 -6.003 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -5.809 2.327 -7.144 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.220 3.172 -7.749 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.540 5.060 -8.393 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.306 3.836 -8.173 1.00 0.35 H new ATOM 0 HE ARG A 284 -6.446 2.900 -9.905 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -3.513 4.860 -9.751 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -3.159 4.677 -11.472 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -5.983 2.681 -12.131 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -4.546 3.453 -12.809 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.496 4.520 -3.122 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.507 5.245 -1.887 1.00 0.14 C ATOM 1018 C GLY A 285 -4.227 5.086 -1.121 1.00 0.15 C ATOM 1019 O GLY A 285 -3.293 4.510 -1.624 1.00 0.24 O ATOM 0 H GLY A 285 -4.569 4.323 -3.499 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.677 6.302 -2.091 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.340 4.901 -1.274 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.188 5.557 0.107 1.00 0.11 N ATOM 1024 CA HIS A 286 -2.968 5.570 0.876 1.00 0.12 C ATOM 1025 C HIS A 286 -3.199 5.035 2.255 1.00 0.12 C ATOM 1026 O HIS A 286 -4.255 5.263 2.842 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.415 6.983 0.951 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.459 8.059 0.993 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.344 8.222 2.040 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.765 9.015 0.090 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.156 9.230 1.775 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.818 9.732 0.600 1.00 0.23 N ATOM 0 H HIS A 286 -4.998 5.939 0.596 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.243 4.927 0.377 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.789 7.068 1.839 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.770 7.153 0.089 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.273 9.184 -0.857 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -5.957 9.582 2.408 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.268 10.526 0.145 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.181 4.363 2.775 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.322 3.576 3.995 1.00 0.11 C ATOM 1043 C PHE A 287 -0.954 3.053 4.453 1.00 0.15 C ATOM 1044 O PHE A 287 -0.157 2.596 3.634 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.254 2.373 3.759 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.749 2.626 3.878 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.284 3.432 4.878 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.622 2.046 2.972 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.649 3.646 4.961 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -6.981 2.257 3.050 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.496 3.058 4.044 1.00 0.12 C ATOM 0 H PHE A 287 -1.245 4.347 2.370 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.747 4.223 4.762 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.055 1.980 2.762 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -2.985 1.591 4.469 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.626 3.896 5.598 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.229 1.415 2.188 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.051 4.273 5.743 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.642 1.794 2.332 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.561 3.226 4.106 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.665 3.125 5.763 1.00 0.17 N ATOM 1062 CA PRO A 288 0.596 2.636 6.351 1.00 0.23 C ATOM 1063 C PRO A 288 0.853 1.139 6.165 1.00 0.18 C ATOM 1064 O PRO A 288 -0.029 0.368 5.767 1.00 0.16 O ATOM 1065 CB PRO A 288 0.433 2.938 7.846 1.00 0.35 C ATOM 1066 CG PRO A 288 -1.030 3.101 8.037 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.507 3.753 6.783 1.00 0.23 C ATOM 0 HA PRO A 288 1.445 3.117 5.865 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.825 2.127 8.459 1.00 0.35 H new ATOM 0 HB3 PRO A 288 0.973 3.841 8.129 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.518 2.139 8.193 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.249 3.715 8.910 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.566 3.567 6.606 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.373 4.834 6.811 1.00 0.23 H new ATOM 1075 N PHE A 289 2.083 0.754 6.471 1.00 0.23 N ATOM 1076 CA PHE A 289 2.519 -0.647 6.427 1.00 0.26 C ATOM 1077 C PHE A 289 1.981 -1.427 7.612 1.00 0.23 C ATOM 1078 O PHE A 289 1.975 -2.656 7.598 1.00 0.26 O ATOM 1079 CB PHE A 289 4.037 -0.739 6.457 1.00 0.38 C ATOM 1080 CG PHE A 289 4.571 -2.143 6.526 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.548 -2.966 5.420 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.101 -2.631 7.708 1.00 0.32 C ATOM 1083 CE1 PHE A 289 5.048 -4.254 5.487 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.599 -3.916 7.784 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.575 -4.730 6.671 1.00 0.26 C ATOM 0 H PHE A 289 2.816 1.403 6.759 1.00 0.23 H new ATOM 0 HA PHE A 289 2.133 -1.071 5.500 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.436 -0.254 5.566 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.406 -0.180 7.317 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.135 -2.601 4.491 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.125 -1.998 8.583 1.00 0.32 H new ATOM 0 HE1 PHE A 289 5.026 -4.888 4.613 1.00 0.26 H new ATOM 0 HE2 PHE A 289 6.007 -4.284 8.714 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.967 -5.735 6.725 1.00 0.26 H new ATOM 1095 N THR A 290 1.519 -0.695 8.617 1.00 0.24 N ATOM 1096 CA THR A 290 1.139 -1.239 9.914 1.00 0.27 C ATOM 1097 C THR A 290 0.085 -2.344 9.831 1.00 0.23 C ATOM 1098 O THR A 290 -0.348 -2.874 10.854 1.00 0.28 O ATOM 1099 CB THR A 290 0.605 -0.105 10.793 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.326 0.674 10.036 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.734 0.786 11.288 1.00 0.44 C ATOM 0 H THR A 290 1.395 0.315 8.552 1.00 0.24 H new ATOM 0 HA THR A 290 2.035 -1.690 10.341 1.00 0.27 H new ATOM 0 HB THR A 290 0.113 -0.541 11.663 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.673 1.401 10.593 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.324 1.582 11.909 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.435 0.193 11.875 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.253 1.223 10.435 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.322 -2.699 8.623 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.381 -3.657 8.442 1.00 0.16 C ATOM 1111 C HIS A 291 -1.320 -4.253 7.059 1.00 0.14 C ATOM 1112 O HIS A 291 -2.353 -4.542 6.447 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.756 -3.041 8.705 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.941 -1.626 8.238 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -2.464 -1.155 7.035 1.00 0.40 N ATOM 1116 CD2 HIS A 291 -3.620 -0.597 8.797 1.00 0.94 C ATOM 1117 CE1 HIS A 291 -2.848 0.097 6.873 1.00 0.19 C ATOM 1118 NE2 HIS A 291 -3.553 0.463 7.923 1.00 0.77 N ATOM 0 H HIS A 291 0.071 -2.333 7.756 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.236 -4.452 9.174 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.510 -3.664 8.223 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.950 -3.078 9.777 1.00 0.20 H new ATOM 0 HD2 HIS A 291 -4.122 -0.607 9.753 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -2.621 0.719 6.020 1.00 0.19 H new ATOM 0 HE2 HIS A 291 -3.978 1.379 8.065 1.00 0.77 H new ATOM 1127 N VAL A 292 -0.110 -4.412 6.545 1.00 0.16 N ATOM 1128 CA VAL A 292 0.079 -5.208 5.353 1.00 0.15 C ATOM 1129 C VAL A 292 1.223 -6.172 5.501 1.00 0.19 C ATOM 1130 O VAL A 292 2.262 -5.888 6.096 1.00 0.22 O ATOM 1131 CB VAL A 292 0.323 -4.346 4.108 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.912 -3.558 3.767 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.493 -3.416 4.328 1.00 0.31 C ATOM 0 H VAL A 292 0.742 -4.005 6.931 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.850 -5.763 5.222 1.00 0.15 H new ATOM 0 HB VAL A 292 0.558 -5.006 3.273 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.723 -2.951 2.881 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.737 -4.242 3.569 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.172 -2.909 4.603 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.651 -2.812 3.434 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.284 -2.762 5.175 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.389 -4.001 4.534 1.00 0.31 H new ATOM 1143 N ARG A 293 0.964 -7.325 4.971 1.00 0.22 N ATOM 1144 CA ARG A 293 1.966 -8.294 4.658 1.00 0.21 C ATOM 1145 C ARG A 293 2.296 -7.971 3.234 1.00 0.32 C ATOM 1146 O ARG A 293 1.516 -7.279 2.614 1.00 0.70 O ATOM 1147 CB ARG A 293 1.366 -9.689 4.750 1.00 0.19 C ATOM 1148 CG ARG A 293 0.311 -9.799 5.822 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.597 -10.979 5.586 1.00 0.26 C ATOM 1150 NE ARG A 293 0.139 -12.237 5.448 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.407 -13.449 5.547 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.691 -13.588 5.857 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.343 -14.526 5.349 1.00 0.60 N ATOM 0 H ARG A 293 0.019 -7.628 4.737 1.00 0.22 H new ATOM 0 HA ARG A 293 2.831 -8.271 5.321 1.00 0.21 H new ATOM 0 HB2 ARG A 293 0.930 -9.957 3.788 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.159 -10.409 4.951 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.790 -9.896 6.796 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.280 -8.883 5.847 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.300 -11.063 6.414 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.185 -10.806 4.685 1.00 0.26 H new ATOM 0 HE ARG A 293 1.141 -12.182 5.263 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.268 -12.763 6.022 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -2.100 -14.520 5.930 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.332 -14.424 5.122 1.00 0.60 H new ATOM 0 HH22 ARG A 293 -0.070 -15.456 5.424 1.00 0.60 H new ATOM 1167 N LEU A 294 3.423 -8.354 2.717 1.00 0.18 N ATOM 1168 CA LEU A 294 3.649 -8.102 1.308 1.00 0.18 C ATOM 1169 C LEU A 294 3.801 -9.356 0.470 1.00 0.21 C ATOM 1170 O LEU A 294 3.883 -10.479 0.970 1.00 0.30 O ATOM 1171 CB LEU A 294 4.849 -7.209 1.066 1.00 0.22 C ATOM 1172 CG LEU A 294 5.139 -6.157 2.136 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.373 -5.359 1.773 1.00 0.66 C ATOM 1174 CD2 LEU A 294 3.948 -5.238 2.329 1.00 0.58 C ATOM 0 H LEU A 294 4.179 -8.824 3.216 1.00 0.18 H new ATOM 0 HA LEU A 294 2.740 -7.593 0.987 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.730 -7.842 0.961 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.708 -6.698 0.114 1.00 0.22 H new ATOM 0 HG LEU A 294 5.324 -6.673 3.078 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.565 -4.614 2.546 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.229 -6.029 1.694 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.215 -4.858 0.818 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.180 -4.498 3.095 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.724 -4.730 1.391 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.083 -5.824 2.640 1.00 0.58 H new ATOM 1186 N LEU A 295 3.815 -9.110 -0.828 1.00 0.20 N ATOM 1187 CA LEU A 295 3.942 -10.100 -1.846 1.00 0.22 C ATOM 1188 C LEU A 295 5.040 -9.679 -2.826 1.00 0.28 C ATOM 1189 O LEU A 295 5.663 -8.631 -2.657 1.00 0.31 O ATOM 1190 CB LEU A 295 2.631 -10.157 -2.589 1.00 0.23 C ATOM 1191 CG LEU A 295 1.867 -11.466 -2.520 1.00 0.25 C ATOM 1192 CD1 LEU A 295 0.982 -11.455 -1.293 1.00 0.29 C ATOM 1193 CD2 LEU A 295 1.045 -11.675 -3.784 1.00 0.28 C ATOM 0 H LEU A 295 3.733 -8.165 -1.203 1.00 0.20 H new ATOM 0 HA LEU A 295 4.192 -11.068 -1.411 1.00 0.22 H new ATOM 0 HB2 LEU A 295 1.987 -9.366 -2.205 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.824 -9.930 -3.638 1.00 0.23 H new ATOM 0 HG LEU A 295 2.570 -12.295 -2.447 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.429 -12.392 -1.235 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.598 -11.342 -0.401 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.281 -10.623 -1.358 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.505 -12.619 -3.715 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.333 -10.857 -3.895 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.708 -11.699 -4.649 1.00 0.28 H new ATOM 1205 N ASP A 296 5.212 -10.443 -3.892 1.00 0.39 N ATOM 1206 CA ASP A 296 6.254 -10.168 -4.863 1.00 0.50 C ATOM 1207 C ASP A 296 5.638 -9.651 -6.159 1.00 0.73 C ATOM 1208 O ASP A 296 5.368 -10.419 -7.083 1.00 1.81 O ATOM 1209 CB ASP A 296 7.104 -11.417 -5.121 1.00 0.84 C ATOM 1210 CG ASP A 296 8.224 -11.168 -6.113 1.00 1.76 C ATOM 1211 OD1 ASP A 296 9.203 -10.479 -5.751 1.00 2.44 O ATOM 1212 OD2 ASP A 296 8.138 -11.678 -7.252 1.00 2.42 O ATOM 0 H ASP A 296 4.641 -11.261 -4.106 1.00 0.39 H new ATOM 0 HA ASP A 296 6.911 -9.398 -4.459 1.00 0.50 H new ATOM 0 HB2 ASP A 296 7.529 -11.763 -4.179 1.00 0.84 H new ATOM 0 HB3 ASP A 296 6.464 -12.216 -5.495 1.00 0.84 H new ATOM 1217 N GLN A 297 5.371 -8.342 -6.152 1.00 0.53 N ATOM 1218 CA GLN A 297 4.836 -7.582 -7.306 1.00 0.41 C ATOM 1219 C GLN A 297 3.847 -8.387 -8.139 1.00 0.64 C ATOM 1220 O GLN A 297 4.222 -8.854 -9.235 1.00 1.25 O ATOM 1221 CB GLN A 297 5.968 -7.050 -8.192 1.00 0.51 C ATOM 1222 CG GLN A 297 7.261 -7.833 -8.088 1.00 0.88 C ATOM 1223 CD GLN A 297 8.347 -7.262 -8.964 1.00 0.87 C ATOM 1224 OE1 GLN A 297 8.540 -7.682 -10.104 1.00 1.02 O ATOM 1225 NE2 GLN A 297 9.039 -6.266 -8.442 1.00 1.02 N ATOM 1226 OXT GLN A 297 2.698 -8.546 -7.692 1.00 1.41 O ATOM 0 H GLN A 297 5.521 -7.759 -5.328 1.00 0.53 H new ATOM 0 HA GLN A 297 4.289 -6.738 -6.885 1.00 0.41 H new ATOM 0 HB2 GLN A 297 5.635 -7.057 -9.230 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.164 -6.011 -7.927 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.598 -7.838 -7.051 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.079 -8.870 -8.369 1.00 0.88 H new ATOM 0 HE21 GLN A 297 8.843 -5.952 -7.492 1.00 1.02 H new ATOM 0 HE22 GLN A 297 9.769 -5.811 -8.989 1.00 1.02 H new TER 1235 GLN A 297