USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 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 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 273 SER OG : rot 180:sc= -0.7 USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 226 SER OG : rot 20:sc= 0.268! USER MOD Single : A 228 ASN : amide:sc= 0.958 K(o=0.96,f=0.43) USER MOD Single : A 229 THR OG1 : rot 85:sc= 0.875 USER MOD Single : A 233 ASN : amide:sc= -3.24! C(o=-3.2!,f=-2.1!) USER MOD Single : A 235 GLN : amide:sc= -0.0735 K(o=-0.073,f=-0.71) USER MOD Single : A 236 ASN : amide:sc= -1.53! X(o=-1.5!,f=-1.3) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -110:sc= -3.59 (180deg=-8.49!) USER MOD Single : A 250 ASN : amide:sc= -0.965! C(o=-0.97!,f=-4.2!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -161:sc= 0.126 (180deg=0.0502) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.839 USER MOD Single : A 266 LYS NZ :NH3+ 136:sc= -0.388 (180deg=-1.37!) USER MOD Single : A 268 THR OG1 : rot 180:sc= 0 USER MOD Single : A 269 LYS NZ :NH3+ -164:sc= -0.55 (180deg=-1.08!) USER MOD Single : A 271 ASN : amide:sc= -1.73 K(o=-1.7,f=-11!) USER MOD Single : A 275 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 280 CYS SG : rot 30:sc= -1.45 USER MOD Single : A 281 ASN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 283 LYS NZ :NH3+ -170:sc=-0.00966 (180deg=-0.101) USER MOD Single : A 286 HIS : no HE2:sc= -0.947 X(o=-0.95,f=-1.2) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 291 HIS : no HD1:sc= -0.786 K(o=-0.79,f=-1.3) USER MOD Single : A 297 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -10.266 9.256 2.476 1.00 6.89 N ATOM 2 CA GLY A 220 -11.737 9.123 2.344 1.00 6.03 C ATOM 3 C GLY A 220 -12.119 7.764 1.808 1.00 5.17 C ATOM 4 O GLY A 220 -11.475 7.280 0.886 1.00 5.52 O ATOM 0 HA2 GLY A 220 -12.207 9.279 3.315 1.00 6.03 H new ATOM 0 HA3 GLY A 220 -12.116 9.899 1.679 1.00 6.03 H new ATOM 10 N PRO A 221 -13.169 7.130 2.367 1.00 4.25 N ATOM 11 CA PRO A 221 -13.606 5.781 1.961 1.00 3.64 C ATOM 12 C PRO A 221 -13.888 5.663 0.458 1.00 3.42 C ATOM 13 O PRO A 221 -13.742 4.589 -0.120 1.00 3.65 O ATOM 14 CB PRO A 221 -14.887 5.561 2.781 1.00 3.01 C ATOM 15 CG PRO A 221 -14.749 6.461 3.953 1.00 3.25 C ATOM 16 CD PRO A 221 -14.008 7.669 3.455 1.00 4.10 C ATOM 0 HA PRO A 221 -12.832 5.036 2.145 1.00 3.64 H new ATOM 0 HB2 PRO A 221 -15.776 5.804 2.199 1.00 3.01 H new ATOM 0 HB3 PRO A 221 -14.984 4.521 3.091 1.00 3.01 H new ATOM 0 HG2 PRO A 221 -15.725 6.738 4.351 1.00 3.25 H new ATOM 0 HG3 PRO A 221 -14.203 5.972 4.760 1.00 3.25 H new ATOM 0 HD2 PRO A 221 -14.690 8.438 3.093 1.00 4.10 H new ATOM 0 HD3 PRO A 221 -13.404 8.123 4.241 1.00 4.10 H new ATOM 24 N TYR A 222 -14.293 6.776 -0.156 1.00 3.36 N ATOM 25 CA TYR A 222 -14.515 6.844 -1.603 1.00 3.25 C ATOM 26 C TYR A 222 -15.744 6.037 -2.018 1.00 2.52 C ATOM 27 O TYR A 222 -16.839 6.590 -2.152 1.00 2.61 O ATOM 28 CB TYR A 222 -13.269 6.375 -2.368 1.00 3.76 C ATOM 29 CG TYR A 222 -13.179 6.896 -3.784 1.00 4.63 C ATOM 30 CD1 TYR A 222 -12.781 8.204 -4.034 1.00 5.31 C ATOM 31 CD2 TYR A 222 -13.481 6.084 -4.872 1.00 5.08 C ATOM 32 CE1 TYR A 222 -12.685 8.689 -5.325 1.00 6.23 C ATOM 33 CE2 TYR A 222 -13.389 6.563 -6.165 1.00 6.03 C ATOM 34 CZ TYR A 222 -12.991 7.866 -6.385 1.00 6.52 C ATOM 35 OH TYR A 222 -12.896 8.346 -7.674 1.00 7.54 O ATOM 0 H TYR A 222 -14.476 7.653 0.332 1.00 3.36 H new ATOM 0 HA TYR A 222 -14.703 7.886 -1.861 1.00 3.25 H new ATOM 0 HB2 TYR A 222 -12.380 6.689 -1.820 1.00 3.76 H new ATOM 0 HB3 TYR A 222 -13.260 5.285 -2.392 1.00 3.76 H new ATOM 0 HD1 TYR A 222 -12.542 8.853 -3.205 1.00 5.31 H new ATOM 0 HD2 TYR A 222 -13.792 5.064 -4.704 1.00 5.08 H new ATOM 0 HE1 TYR A 222 -12.372 9.708 -5.501 1.00 6.23 H new ATOM 0 HE2 TYR A 222 -13.628 5.920 -7.000 1.00 6.03 H new ATOM 0 HH TYR A 222 -13.145 7.639 -8.305 1.00 7.54 H new ATOM 45 N ALA A 223 -15.575 4.738 -2.200 1.00 2.13 N ATOM 46 CA ALA A 223 -16.662 3.889 -2.658 1.00 2.17 C ATOM 47 C ALA A 223 -17.310 3.147 -1.500 1.00 2.50 C ATOM 48 O ALA A 223 -18.534 3.043 -1.413 1.00 3.04 O ATOM 49 CB ALA A 223 -16.149 2.913 -3.692 1.00 2.26 C ATOM 0 H ALA A 223 -14.695 4.248 -2.038 1.00 2.13 H new ATOM 0 HA ALA A 223 -17.424 4.523 -3.111 1.00 2.17 H new ATOM 0 HB1 ALA A 223 -16.968 2.279 -4.032 1.00 2.26 H new ATOM 0 HB2 ALA A 223 -15.740 3.463 -4.540 1.00 2.26 H new ATOM 0 HB3 ALA A 223 -15.369 2.293 -3.251 1.00 2.26 H new ATOM 55 N GLN A 224 -16.479 2.636 -0.612 1.00 2.41 N ATOM 56 CA GLN A 224 -16.939 1.922 0.565 1.00 2.84 C ATOM 57 C GLN A 224 -16.102 2.363 1.735 1.00 2.61 C ATOM 58 O GLN A 224 -15.065 2.971 1.523 1.00 2.25 O ATOM 59 CB GLN A 224 -16.791 0.414 0.384 1.00 3.26 C ATOM 60 CG GLN A 224 -17.951 -0.250 -0.314 1.00 3.94 C ATOM 61 CD GLN A 224 -17.850 -1.756 -0.238 1.00 4.73 C ATOM 62 OE1 GLN A 224 -16.760 -2.326 -0.253 1.00 5.34 O ATOM 63 NE2 GLN A 224 -18.983 -2.407 -0.107 1.00 5.07 N ATOM 0 H GLN A 224 -15.464 2.704 -0.686 1.00 2.41 H new ATOM 0 HA GLN A 224 -17.994 2.143 0.730 1.00 2.84 H new ATOM 0 HB2 GLN A 224 -15.881 0.217 -0.183 1.00 3.26 H new ATOM 0 HB3 GLN A 224 -16.662 -0.046 1.364 1.00 3.26 H new ATOM 0 HG2 GLN A 224 -18.886 0.077 0.140 1.00 3.94 H new ATOM 0 HG3 GLN A 224 -17.977 0.062 -1.358 1.00 3.94 H new ATOM 0 HE21 GLN A 224 -19.866 -1.897 -0.099 1.00 5.07 H new ATOM 0 HE22 GLN A 224 -18.980 -3.423 -0.013 1.00 5.07 H new ATOM 72 N PRO A 225 -16.505 2.065 2.976 1.00 3.00 N ATOM 73 CA PRO A 225 -15.702 2.424 4.139 1.00 2.88 C ATOM 74 C PRO A 225 -14.265 1.959 3.954 1.00 2.43 C ATOM 75 O PRO A 225 -14.032 0.828 3.516 1.00 2.62 O ATOM 76 CB PRO A 225 -16.390 1.711 5.298 1.00 3.40 C ATOM 77 CG PRO A 225 -17.308 0.718 4.661 1.00 4.04 C ATOM 78 CD PRO A 225 -17.719 1.336 3.357 1.00 3.72 C ATOM 0 HA PRO A 225 -15.641 3.499 4.307 1.00 2.88 H new ATOM 0 HB2 PRO A 225 -15.663 1.217 5.943 1.00 3.40 H new ATOM 0 HB3 PRO A 225 -16.943 2.415 5.920 1.00 3.40 H new ATOM 0 HG2 PRO A 225 -16.806 -0.236 4.503 1.00 4.04 H new ATOM 0 HG3 PRO A 225 -18.174 0.521 5.293 1.00 4.04 H new ATOM 0 HD2 PRO A 225 -17.994 0.585 2.617 1.00 3.72 H new ATOM 0 HD3 PRO A 225 -18.576 2.000 3.471 1.00 3.72 H new ATOM 86 N SER A 226 -13.333 2.841 4.307 1.00 2.20 N ATOM 87 CA SER A 226 -11.945 2.779 3.849 1.00 2.08 C ATOM 88 C SER A 226 -11.395 1.358 3.836 1.00 1.74 C ATOM 89 O SER A 226 -11.530 0.614 4.813 1.00 1.98 O ATOM 90 CB SER A 226 -11.071 3.681 4.724 1.00 2.61 C ATOM 91 OG SER A 226 -9.817 3.934 4.111 1.00 3.08 O ATOM 0 H SER A 226 -13.522 3.629 4.927 1.00 2.20 H new ATOM 0 HA SER A 226 -11.925 3.133 2.818 1.00 2.08 H new ATOM 0 HB2 SER A 226 -11.586 4.624 4.906 1.00 2.61 H new ATOM 0 HB3 SER A 226 -10.915 3.210 5.695 1.00 2.61 H new ATOM 0 HG SER A 226 -9.883 3.763 3.148 1.00 3.08 H new ATOM 97 N ILE A 227 -10.768 1.003 2.718 1.00 1.37 N ATOM 98 CA ILE A 227 -10.306 -0.357 2.480 1.00 1.12 C ATOM 99 C ILE A 227 -9.178 -0.748 3.440 1.00 1.27 C ATOM 100 O ILE A 227 -8.001 -0.500 3.179 1.00 1.47 O ATOM 101 CB ILE A 227 -9.835 -0.570 1.013 1.00 0.97 C ATOM 102 CG1 ILE A 227 -10.975 -0.334 0.012 1.00 1.20 C ATOM 103 CG2 ILE A 227 -9.283 -1.970 0.829 1.00 1.14 C ATOM 104 CD1 ILE A 227 -11.186 1.119 -0.350 1.00 1.47 C ATOM 0 H ILE A 227 -10.567 1.649 1.955 1.00 1.37 H new ATOM 0 HA ILE A 227 -11.165 -1.002 2.662 1.00 1.12 H new ATOM 0 HB ILE A 227 -9.049 0.160 0.817 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -10.768 -0.898 -0.898 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -11.900 -0.731 0.430 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -8.959 -2.100 -0.203 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.435 -2.117 1.497 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -10.058 -2.700 1.061 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -12.008 1.201 -1.061 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -11.426 1.687 0.549 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -10.277 1.518 -0.799 1.00 1.47 H new ATOM 116 N ASN A 228 -9.571 -1.289 4.583 1.00 1.52 N ATOM 117 CA ASN A 228 -8.647 -1.890 5.533 1.00 1.82 C ATOM 118 C ASN A 228 -9.371 -3.013 6.264 1.00 1.80 C ATOM 119 O ASN A 228 -10.515 -2.816 6.673 1.00 2.07 O ATOM 120 CB ASN A 228 -8.114 -0.852 6.527 1.00 2.42 C ATOM 121 CG ASN A 228 -7.143 -1.452 7.531 1.00 3.09 C ATOM 122 OD1 ASN A 228 -5.943 -1.553 7.273 1.00 3.44 O ATOM 123 ND2 ASN A 228 -7.650 -1.829 8.695 1.00 3.83 N ATOM 0 H ASN A 228 -10.546 -1.324 4.880 1.00 1.52 H new ATOM 0 HA ASN A 228 -7.786 -2.288 4.996 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -7.617 -0.051 5.979 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -8.951 -0.401 7.061 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -7.041 -2.219 9.414 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -8.650 -1.730 8.872 1.00 3.83 H new ATOM 130 N THR A 229 -8.695 -4.166 6.408 1.00 1.66 N ATOM 131 CA THR A 229 -9.245 -5.419 6.986 1.00 1.67 C ATOM 132 C THR A 229 -9.429 -6.510 5.915 1.00 1.68 C ATOM 133 O THR A 229 -8.838 -7.587 6.035 1.00 2.22 O ATOM 134 CB THR A 229 -10.578 -5.250 7.756 1.00 1.80 C ATOM 135 OG1 THR A 229 -10.431 -4.285 8.808 1.00 1.91 O ATOM 136 CG2 THR A 229 -11.039 -6.573 8.351 1.00 1.88 C ATOM 0 H THR A 229 -7.722 -4.262 6.119 1.00 1.66 H new ATOM 0 HA THR A 229 -8.491 -5.721 7.713 1.00 1.67 H new ATOM 0 HB THR A 229 -11.327 -4.903 7.045 1.00 1.80 H new ATOM 0 HG1 THR A 229 -10.564 -3.384 8.446 1.00 1.91 H new ATOM 0 HG21 THR A 229 -11.977 -6.424 8.886 1.00 1.88 H new ATOM 0 HG22 THR A 229 -11.188 -7.299 7.552 1.00 1.88 H new ATOM 0 HG23 THR A 229 -10.282 -6.944 9.042 1.00 1.88 H new ATOM 144 N PRO A 230 -10.259 -6.265 4.871 1.00 1.34 N ATOM 145 CA PRO A 230 -10.517 -7.237 3.796 1.00 1.46 C ATOM 146 C PRO A 230 -9.259 -7.876 3.213 1.00 1.44 C ATOM 147 O PRO A 230 -8.166 -7.312 3.279 1.00 1.32 O ATOM 148 CB PRO A 230 -11.186 -6.387 2.723 1.00 1.46 C ATOM 149 CG PRO A 230 -11.891 -5.318 3.465 1.00 1.48 C ATOM 150 CD PRO A 230 -11.041 -5.025 4.661 1.00 1.35 C ATOM 0 HA PRO A 230 -11.105 -8.076 4.169 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -10.451 -5.971 2.034 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -11.881 -6.979 2.128 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -12.016 -4.429 2.846 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -12.888 -5.641 3.763 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -10.389 -4.169 4.485 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -11.650 -4.787 5.533 1.00 1.35 H new ATOM 158 N LEU A 231 -9.428 -9.061 2.644 1.00 1.78 N ATOM 159 CA LEU A 231 -8.363 -9.719 1.898 1.00 1.82 C ATOM 160 C LEU A 231 -8.125 -8.952 0.593 1.00 1.52 C ATOM 161 O LEU A 231 -8.937 -8.095 0.243 1.00 1.52 O ATOM 162 CB LEU A 231 -8.728 -11.186 1.605 1.00 2.34 C ATOM 163 CG LEU A 231 -9.812 -11.417 0.542 1.00 2.79 C ATOM 164 CD1 LEU A 231 -9.836 -12.881 0.129 1.00 3.30 C ATOM 165 CD2 LEU A 231 -11.183 -10.997 1.052 1.00 3.42 C ATOM 0 H LEU A 231 -10.299 -9.590 2.685 1.00 1.78 H new ATOM 0 HA LEU A 231 -7.450 -9.718 2.494 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -7.824 -11.708 1.291 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -9.056 -11.649 2.535 1.00 2.34 H new ATOM 0 HG LEU A 231 -9.570 -10.802 -0.325 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -10.608 -13.034 -0.625 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -8.866 -13.159 -0.284 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -10.051 -13.501 0.999 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -11.929 -11.173 0.277 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -11.436 -11.580 1.938 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -11.167 -9.937 1.307 1.00 3.42 H new ATOM 177 N PRO A 232 -7.033 -9.240 -0.152 1.00 1.40 N ATOM 178 CA PRO A 232 -6.713 -8.507 -1.388 1.00 1.28 C ATOM 179 C PRO A 232 -7.895 -8.466 -2.355 1.00 1.55 C ATOM 180 O PRO A 232 -8.450 -9.504 -2.724 1.00 1.84 O ATOM 181 CB PRO A 232 -5.561 -9.314 -1.989 1.00 1.40 C ATOM 182 CG PRO A 232 -4.914 -9.974 -0.823 1.00 1.45 C ATOM 183 CD PRO A 232 -6.019 -10.272 0.152 1.00 1.54 C ATOM 0 HA PRO A 232 -6.464 -7.464 -1.193 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -5.925 -10.048 -2.708 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -4.860 -8.669 -2.519 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -4.404 -10.889 -1.126 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -4.163 -9.324 -0.374 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -6.416 -11.278 0.014 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -5.674 -10.204 1.184 1.00 1.54 H new ATOM 191 N ASN A 233 -8.257 -7.258 -2.772 1.00 1.58 N ATOM 192 CA ASN A 233 -9.469 -7.032 -3.549 1.00 2.01 C ATOM 193 C ASN A 233 -9.505 -5.574 -4.026 1.00 1.76 C ATOM 194 O ASN A 233 -8.455 -4.994 -4.304 1.00 2.31 O ATOM 195 CB ASN A 233 -10.702 -7.359 -2.687 1.00 2.67 C ATOM 196 CG ASN A 233 -11.976 -7.541 -3.498 1.00 3.38 C ATOM 197 OD1 ASN A 233 -13.062 -7.196 -3.038 1.00 3.96 O ATOM 198 ND2 ASN A 233 -11.857 -8.091 -4.698 1.00 3.82 N ATOM 0 H ASN A 233 -7.721 -6.411 -2.582 1.00 1.58 H new ATOM 0 HA ASN A 233 -9.477 -7.683 -4.423 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -10.508 -8.269 -2.120 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -10.852 -6.558 -1.963 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -12.685 -8.241 -5.275 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -10.938 -8.364 -5.045 1.00 3.82 H new ATOM 205 N LEU A 234 -10.703 -4.984 -4.072 1.00 1.61 N ATOM 206 CA LEU A 234 -10.939 -3.672 -4.621 1.00 1.90 C ATOM 207 C LEU A 234 -12.430 -3.508 -4.737 1.00 1.69 C ATOM 208 O LEU A 234 -13.149 -4.461 -5.040 1.00 1.91 O ATOM 209 CB LEU A 234 -10.270 -3.447 -5.991 1.00 2.77 C ATOM 210 CG LEU A 234 -10.614 -4.429 -7.126 1.00 3.77 C ATOM 211 CD1 LEU A 234 -11.974 -4.133 -7.749 1.00 4.30 C ATOM 212 CD2 LEU A 234 -9.540 -4.369 -8.190 1.00 4.49 C ATOM 0 H LEU A 234 -11.549 -5.429 -3.716 1.00 1.61 H new ATOM 0 HA LEU A 234 -10.494 -2.930 -3.958 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -10.526 -2.442 -6.328 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -9.190 -3.469 -5.844 1.00 2.77 H new ATOM 0 HG LEU A 234 -10.662 -5.429 -6.696 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -12.174 -4.851 -8.545 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -12.749 -4.212 -6.986 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -11.973 -3.124 -8.162 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -9.784 -5.064 -8.993 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -9.482 -3.357 -8.591 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -8.579 -4.642 -7.753 1.00 4.49 H new ATOM 224 N GLN A 235 -12.898 -2.340 -4.436 1.00 1.58 N ATOM 225 CA GLN A 235 -14.303 -2.061 -4.522 1.00 1.78 C ATOM 226 C GLN A 235 -14.591 -1.212 -5.755 1.00 1.59 C ATOM 227 O GLN A 235 -15.585 -1.417 -6.453 1.00 1.97 O ATOM 228 CB GLN A 235 -14.723 -1.414 -3.216 1.00 2.17 C ATOM 229 CG GLN A 235 -15.944 -0.511 -3.303 1.00 2.56 C ATOM 230 CD GLN A 235 -17.190 -1.256 -3.749 1.00 3.18 C ATOM 231 OE1 GLN A 235 -17.332 -2.454 -3.510 1.00 3.71 O ATOM 232 NE2 GLN A 235 -18.105 -0.554 -4.400 1.00 3.72 N ATOM 0 H GLN A 235 -12.326 -1.555 -4.125 1.00 1.58 H new ATOM 0 HA GLN A 235 -14.893 -2.968 -4.651 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -14.924 -2.200 -2.488 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -13.886 -0.830 -2.833 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -16.126 -0.057 -2.329 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -15.742 0.302 -4.001 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -17.953 0.438 -4.581 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -18.961 -1.006 -4.721 1.00 3.72 H new ATOM 241 N ASN A 236 -13.700 -0.277 -6.035 1.00 1.40 N ATOM 242 CA ASN A 236 -13.814 0.554 -7.222 1.00 1.65 C ATOM 243 C ASN A 236 -12.442 0.689 -7.860 1.00 1.69 C ATOM 244 O ASN A 236 -12.183 1.604 -8.645 1.00 2.36 O ATOM 245 CB ASN A 236 -14.372 1.938 -6.864 1.00 2.09 C ATOM 246 CG ASN A 236 -14.782 2.737 -8.089 1.00 2.95 C ATOM 247 OD1 ASN A 236 -14.611 3.954 -8.141 1.00 3.67 O ATOM 248 ND2 ASN A 236 -15.364 2.062 -9.072 1.00 3.34 N ATOM 0 H ASN A 236 -12.886 -0.073 -5.454 1.00 1.40 H new ATOM 0 HA ASN A 236 -14.504 0.086 -7.925 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -15.234 1.819 -6.207 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -13.620 2.496 -6.306 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -15.687 2.552 -9.906 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -15.489 1.053 -8.993 1.00 3.34 H new ATOM 255 N GLY A 237 -11.564 -0.243 -7.526 1.00 1.32 N ATOM 256 CA GLY A 237 -10.202 -0.137 -7.916 1.00 1.67 C ATOM 257 C GLY A 237 -9.321 -0.365 -6.725 1.00 1.38 C ATOM 258 O GLY A 237 -9.757 -0.198 -5.590 1.00 1.70 O ATOM 0 H GLY A 237 -11.789 -1.077 -6.984 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -9.977 -0.868 -8.693 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -10.010 0.848 -8.340 1.00 1.67 H new ATOM 262 N PRO A 238 -8.106 -0.821 -6.945 1.00 0.90 N ATOM 263 CA PRO A 238 -7.143 -1.042 -5.879 1.00 0.65 C ATOM 264 C PRO A 238 -6.700 0.259 -5.276 1.00 0.50 C ATOM 265 O PRO A 238 -6.851 1.322 -5.879 1.00 0.76 O ATOM 266 CB PRO A 238 -5.991 -1.738 -6.587 1.00 0.65 C ATOM 267 CG PRO A 238 -6.624 -2.277 -7.818 1.00 0.96 C ATOM 268 CD PRO A 238 -7.566 -1.202 -8.238 1.00 0.88 C ATOM 0 HA PRO A 238 -7.548 -1.625 -5.052 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.184 -1.044 -6.820 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.562 -2.531 -5.974 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -5.883 -2.483 -8.591 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -7.148 -3.212 -7.621 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -7.060 -0.376 -8.738 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.335 -1.565 -8.920 1.00 0.88 H new ATOM 276 N PHE A 239 -6.126 0.184 -4.106 1.00 0.37 N ATOM 277 CA PHE A 239 -5.872 1.382 -3.363 1.00 0.28 C ATOM 278 C PHE A 239 -4.438 1.786 -3.504 1.00 0.27 C ATOM 279 O PHE A 239 -3.528 1.018 -3.235 1.00 0.51 O ATOM 280 CB PHE A 239 -6.244 1.220 -1.891 1.00 0.34 C ATOM 281 CG PHE A 239 -5.784 -0.073 -1.305 1.00 0.41 C ATOM 282 CD1 PHE A 239 -6.385 -1.235 -1.709 1.00 0.90 C ATOM 283 CD2 PHE A 239 -4.781 -0.128 -0.358 1.00 0.35 C ATOM 284 CE1 PHE A 239 -6.002 -2.450 -1.191 1.00 1.09 C ATOM 285 CE2 PHE A 239 -4.393 -1.337 0.178 1.00 0.35 C ATOM 286 CZ PHE A 239 -5.004 -2.502 -0.240 1.00 0.73 C ATOM 0 H PHE A 239 -5.830 -0.681 -3.654 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.502 2.171 -3.775 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.812 2.043 -1.322 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.327 1.294 -1.787 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -7.173 -1.197 -2.447 1.00 0.90 H new ATOM 0 HD2 PHE A 239 -4.297 0.782 -0.035 1.00 0.35 H new ATOM 0 HE1 PHE A 239 -6.480 -3.358 -1.527 1.00 1.09 H new ATOM 0 HE2 PHE A 239 -3.612 -1.373 0.924 1.00 0.35 H new ATOM 0 HZ PHE A 239 -4.702 -3.452 0.176 1.00 0.73 H new ATOM 296 N TYR A 240 -4.254 3.001 -3.909 1.00 0.16 N ATOM 297 CA TYR A 240 -2.942 3.550 -4.076 1.00 0.21 C ATOM 298 C TYR A 240 -2.501 4.088 -2.744 1.00 0.21 C ATOM 299 O TYR A 240 -3.310 4.582 -1.985 1.00 0.36 O ATOM 300 CB TYR A 240 -2.937 4.658 -5.132 1.00 0.25 C ATOM 301 CG TYR A 240 -3.503 4.233 -6.470 1.00 0.25 C ATOM 302 CD1 TYR A 240 -3.072 3.068 -7.085 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.459 5.003 -7.120 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.574 2.680 -8.311 1.00 0.38 C ATOM 305 CE2 TYR A 240 -4.970 4.620 -8.347 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.524 3.457 -8.938 1.00 0.45 C ATOM 307 OH TYR A 240 -5.024 3.073 -10.165 1.00 0.59 O ATOM 0 H TYR A 240 -5.011 3.646 -4.135 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.256 2.777 -4.423 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.512 5.505 -4.758 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.914 5.005 -5.275 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.331 2.453 -6.597 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.809 5.915 -6.660 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -3.224 1.771 -8.777 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.714 5.229 -8.839 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.685 3.729 -10.469 1.00 0.59 H new ATOM 317 N ALA A 241 -1.244 3.970 -2.445 1.00 0.17 N ATOM 318 CA ALA A 241 -0.765 4.360 -1.146 1.00 0.19 C ATOM 319 C ALA A 241 0.405 5.322 -1.286 1.00 0.15 C ATOM 320 O ALA A 241 1.437 4.972 -1.858 1.00 0.19 O ATOM 321 CB ALA A 241 -0.359 3.107 -0.398 1.00 0.35 C ATOM 0 H ALA A 241 -0.530 3.609 -3.077 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.547 4.877 -0.590 1.00 0.19 H new ATOM 0 HB1 ALA A 241 0.008 3.377 0.592 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.221 2.448 -0.298 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.428 2.593 -0.949 1.00 0.35 H new ATOM 327 N ARG A 242 0.237 6.532 -0.781 1.00 0.16 N ATOM 328 CA ARG A 242 1.306 7.510 -0.789 1.00 0.16 C ATOM 329 C ARG A 242 2.270 7.208 0.327 1.00 0.14 C ATOM 330 O ARG A 242 1.930 7.273 1.507 1.00 0.23 O ATOM 331 CB ARG A 242 0.786 8.944 -0.627 1.00 0.29 C ATOM 332 CG ARG A 242 1.880 9.932 -0.209 1.00 0.33 C ATOM 333 CD ARG A 242 2.853 10.256 -1.333 1.00 0.79 C ATOM 334 NE ARG A 242 2.260 11.101 -2.370 1.00 1.19 N ATOM 335 CZ ARG A 242 2.042 12.413 -2.237 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.289 13.023 -1.082 1.00 1.90 N ATOM 337 NH2 ARG A 242 1.569 13.115 -3.257 1.00 2.05 N ATOM 0 H ARG A 242 -0.632 6.859 -0.360 1.00 0.16 H new ATOM 0 HA ARG A 242 1.802 7.443 -1.757 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.346 9.274 -1.568 1.00 0.29 H new ATOM 0 HB3 ARG A 242 -0.010 8.954 0.118 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.415 10.855 0.138 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.433 9.517 0.634 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.727 10.758 -0.918 1.00 0.79 H new ATOM 0 HD3 ARG A 242 3.203 9.327 -1.784 1.00 0.79 H new ATOM 0 HE ARG A 242 1.996 10.660 -3.251 1.00 1.19 H new ATOM 0 HH11 ARG A 242 2.647 12.490 -0.290 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.120 14.025 -0.988 1.00 1.90 H new ATOM 0 HH21 ARG A 242 1.371 12.654 -4.145 1.00 2.05 H new ATOM 0 HH22 ARG A 242 1.403 14.116 -3.154 1.00 2.05 H new ATOM 351 N VAL A 243 3.461 6.848 -0.049 1.00 0.10 N ATOM 352 CA VAL A 243 4.521 6.696 0.900 1.00 0.14 C ATOM 353 C VAL A 243 5.077 8.061 1.265 1.00 0.11 C ATOM 354 O VAL A 243 5.712 8.728 0.446 1.00 0.15 O ATOM 355 CB VAL A 243 5.634 5.780 0.361 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.976 6.103 -1.080 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.861 5.883 1.237 1.00 0.32 C ATOM 0 H VAL A 243 3.723 6.653 -1.015 1.00 0.10 H new ATOM 0 HA VAL A 243 4.118 6.222 1.795 1.00 0.14 H new ATOM 0 HB VAL A 243 5.266 4.754 0.385 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.766 5.435 -1.425 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.091 5.970 -1.702 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.318 7.136 -1.150 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.642 5.231 0.847 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.218 6.913 1.244 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.609 5.580 2.253 1.00 0.32 H new ATOM 367 N ILE A 244 4.803 8.497 2.482 1.00 0.13 N ATOM 368 CA ILE A 244 5.328 9.766 2.930 1.00 0.15 C ATOM 369 C ILE A 244 6.676 9.581 3.608 1.00 0.14 C ATOM 370 O ILE A 244 7.422 10.535 3.755 1.00 0.20 O ATOM 371 CB ILE A 244 4.359 10.510 3.869 1.00 0.25 C ATOM 372 CG1 ILE A 244 3.942 9.618 5.041 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.143 10.990 3.093 1.00 0.32 C ATOM 374 CD1 ILE A 244 3.012 10.303 6.015 1.00 0.76 C ATOM 0 H ILE A 244 4.230 7.999 3.164 1.00 0.13 H new ATOM 0 HA ILE A 244 5.454 10.383 2.041 1.00 0.15 H new ATOM 0 HB ILE A 244 4.873 11.379 4.280 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.455 8.724 4.652 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.835 9.289 5.573 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.465 11.514 3.767 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.461 11.666 2.300 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.629 10.134 2.655 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.757 9.614 6.820 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.504 11.182 6.432 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.103 10.608 5.497 1.00 0.76 H new ATOM 386 N GLN A 245 6.962 8.351 4.042 1.00 0.12 N ATOM 387 CA GLN A 245 8.286 7.983 4.558 1.00 0.14 C ATOM 388 C GLN A 245 8.545 6.492 4.394 1.00 0.14 C ATOM 389 O GLN A 245 7.883 5.665 5.019 1.00 0.17 O ATOM 390 CB GLN A 245 8.444 8.368 6.031 1.00 0.21 C ATOM 391 CG GLN A 245 8.603 9.856 6.239 1.00 0.33 C ATOM 392 CD GLN A 245 8.881 10.226 7.681 1.00 0.54 C ATOM 393 OE1 GLN A 245 10.035 10.262 8.111 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.836 10.524 8.432 1.00 1.06 N ATOM 0 H GLN A 245 6.288 7.585 4.047 1.00 0.12 H new ATOM 0 HA GLN A 245 9.018 8.539 3.972 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.573 8.020 6.587 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.312 7.854 6.444 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.418 10.220 5.613 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.696 10.362 5.908 1.00 0.33 H new ATOM 0 HE21 GLN A 245 6.896 10.482 8.038 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.969 10.796 9.406 1.00 1.06 H new ATOM 403 N LYS A 246 9.464 6.152 3.506 1.00 0.15 N ATOM 404 CA LYS A 246 9.901 4.774 3.355 1.00 0.16 C ATOM 405 C LYS A 246 11.412 4.692 3.250 1.00 0.22 C ATOM 406 O LYS A 246 12.099 5.699 3.079 1.00 0.29 O ATOM 407 CB LYS A 246 9.282 4.098 2.137 1.00 0.18 C ATOM 408 CG LYS A 246 8.760 2.696 2.428 1.00 0.20 C ATOM 409 CD LYS A 246 7.419 2.745 3.157 1.00 0.29 C ATOM 410 CE LYS A 246 6.333 1.992 2.403 1.00 0.28 C ATOM 411 NZ LYS A 246 5.945 2.672 1.141 1.00 0.36 N ATOM 0 H LYS A 246 9.923 6.812 2.878 1.00 0.15 H new ATOM 0 HA LYS A 246 9.563 4.248 4.248 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.463 4.714 1.765 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.026 4.044 1.342 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.649 2.146 1.494 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.486 2.153 3.033 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.532 2.317 4.153 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.116 3.784 3.289 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.683 0.985 2.177 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.456 1.889 3.042 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.986 3.064 1.238 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.615 3.442 0.941 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 5.961 1.987 0.358 1.00 0.36 H new ATOM 425 N ARG A 247 11.903 3.480 3.355 1.00 0.27 N ATOM 426 CA ARG A 247 13.294 3.171 3.112 1.00 0.37 C ATOM 427 C ARG A 247 13.386 2.760 1.655 1.00 0.27 C ATOM 428 O ARG A 247 12.355 2.442 1.066 1.00 0.21 O ATOM 429 CB ARG A 247 13.717 2.036 4.060 1.00 0.55 C ATOM 430 CG ARG A 247 14.974 1.278 3.666 1.00 0.69 C ATOM 431 CD ARG A 247 15.210 0.117 4.618 1.00 0.72 C ATOM 432 NE ARG A 247 16.163 -0.858 4.093 1.00 1.24 N ATOM 433 CZ ARG A 247 15.906 -2.162 3.988 1.00 1.29 C ATOM 434 NH1 ARG A 247 14.716 -2.641 4.341 1.00 1.33 N ATOM 435 NH2 ARG A 247 16.834 -2.990 3.528 1.00 2.10 N ATOM 0 H ARG A 247 11.341 2.669 3.615 1.00 0.27 H new ATOM 0 HA ARG A 247 13.959 4.014 3.299 1.00 0.37 H new ATOM 0 HB2 ARG A 247 13.866 2.456 5.055 1.00 0.55 H new ATOM 0 HB3 ARG A 247 12.895 1.324 4.134 1.00 0.55 H new ATOM 0 HG2 ARG A 247 14.878 0.907 2.646 1.00 0.69 H new ATOM 0 HG3 ARG A 247 15.832 1.950 3.681 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.577 0.502 5.570 1.00 0.72 H new ATOM 0 HD3 ARG A 247 14.261 -0.381 4.820 1.00 0.72 H new ATOM 0 HE ARG A 247 17.077 -0.522 3.790 1.00 1.24 H new ATOM 0 HH11 ARG A 247 13.996 -2.010 4.693 1.00 1.33 H new ATOM 0 HH12 ARG A 247 14.523 -3.639 4.259 1.00 1.33 H new ATOM 0 HH21 ARG A 247 17.748 -2.630 3.253 1.00 2.10 H new ATOM 0 HH22 ARG A 247 16.634 -3.987 3.449 1.00 2.10 H new ATOM 449 N VAL A 248 14.563 2.804 1.048 1.00 0.32 N ATOM 450 CA VAL A 248 14.694 2.326 -0.319 1.00 0.31 C ATOM 451 C VAL A 248 15.357 0.945 -0.323 1.00 0.26 C ATOM 452 O VAL A 248 16.582 0.819 -0.358 1.00 0.30 O ATOM 453 CB VAL A 248 15.504 3.311 -1.193 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.404 2.937 -2.664 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.028 4.741 -0.973 1.00 1.18 C ATOM 0 H VAL A 248 15.422 3.157 1.469 1.00 0.32 H new ATOM 0 HA VAL A 248 13.695 2.252 -0.748 1.00 0.31 H new ATOM 0 HB VAL A 248 16.550 3.246 -0.895 1.00 0.45 H new ATOM 0 HG11 VAL A 248 15.982 3.644 -3.259 1.00 1.12 H new ATOM 0 HG12 VAL A 248 15.798 1.931 -2.811 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.360 2.967 -2.977 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.611 5.419 -1.597 1.00 1.18 H new ATOM 0 HG22 VAL A 248 13.974 4.819 -1.239 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.158 5.011 0.075 1.00 1.18 H new ATOM 465 N PRO A 249 14.531 -0.102 -0.214 1.00 0.20 N ATOM 466 CA PRO A 249 14.924 -1.496 -0.215 1.00 0.20 C ATOM 467 C PRO A 249 14.614 -2.197 -1.524 1.00 0.27 C ATOM 468 O PRO A 249 13.985 -1.631 -2.409 1.00 0.34 O ATOM 469 CB PRO A 249 14.051 -2.055 0.912 1.00 0.21 C ATOM 470 CG PRO A 249 12.890 -1.094 1.037 1.00 0.23 C ATOM 471 CD PRO A 249 13.098 -0.032 -0.006 1.00 0.22 C ATOM 0 HA PRO A 249 15.997 -1.635 -0.085 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.704 -3.061 0.678 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.609 -2.120 1.846 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.942 -1.609 0.882 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.855 -0.656 2.035 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.541 -0.241 -0.919 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.782 0.951 0.342 1.00 0.22 H new ATOM 479 N ASN A 250 15.084 -3.421 -1.660 1.00 0.31 N ATOM 480 CA ASN A 250 14.704 -4.228 -2.794 1.00 0.39 C ATOM 481 C ASN A 250 13.911 -5.435 -2.340 1.00 0.36 C ATOM 482 O ASN A 250 13.787 -5.710 -1.150 1.00 0.35 O ATOM 483 CB ASN A 250 15.927 -4.682 -3.590 1.00 0.51 C ATOM 484 CG ASN A 250 15.589 -5.224 -4.966 1.00 1.13 C ATOM 485 OD1 ASN A 250 14.581 -4.855 -5.563 1.00 1.97 O ATOM 486 ND2 ASN A 250 16.437 -6.102 -5.477 1.00 1.56 N ATOM 0 H ASN A 250 15.723 -3.872 -1.005 1.00 0.31 H new ATOM 0 HA ASN A 250 14.083 -3.612 -3.444 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.612 -3.841 -3.698 1.00 0.51 H new ATOM 0 HB3 ASN A 250 16.453 -5.451 -3.025 1.00 0.51 H new ATOM 0 HD21 ASN A 250 16.265 -6.499 -6.401 1.00 1.56 H new ATOM 0 HD22 ASN A 250 17.263 -6.381 -4.947 1.00 1.56 H new ATOM 493 N ALA A 251 13.409 -6.147 -3.316 1.00 0.43 N ATOM 494 CA ALA A 251 12.625 -7.356 -3.115 1.00 0.48 C ATOM 495 C ALA A 251 13.423 -8.465 -2.435 1.00 0.53 C ATOM 496 O ALA A 251 12.862 -9.474 -2.020 1.00 0.60 O ATOM 497 CB ALA A 251 12.112 -7.837 -4.457 1.00 0.59 C ATOM 0 H ALA A 251 13.532 -5.903 -4.299 1.00 0.43 H new ATOM 0 HA ALA A 251 11.795 -7.111 -2.452 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.523 -8.743 -4.318 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.488 -7.064 -4.906 1.00 0.59 H new ATOM 0 HB3 ALA A 251 12.955 -8.050 -5.114 1.00 0.59 H new ATOM 503 N TYR A 252 14.737 -8.292 -2.350 1.00 0.54 N ATOM 504 CA TYR A 252 15.584 -9.248 -1.656 1.00 0.65 C ATOM 505 C TYR A 252 15.465 -9.038 -0.147 1.00 0.60 C ATOM 506 O TYR A 252 15.787 -9.917 0.653 1.00 0.69 O ATOM 507 CB TYR A 252 17.041 -9.104 -2.110 1.00 0.77 C ATOM 508 CG TYR A 252 17.946 -10.200 -1.591 1.00 1.63 C ATOM 509 CD1 TYR A 252 17.857 -11.491 -2.098 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.877 -9.951 -0.590 1.00 2.46 C ATOM 511 CE1 TYR A 252 18.669 -12.500 -1.624 1.00 2.83 C ATOM 512 CE2 TYR A 252 19.692 -10.958 -0.110 1.00 3.46 C ATOM 513 CZ TYR A 252 19.583 -12.230 -0.630 1.00 3.61 C ATOM 514 OH TYR A 252 20.387 -13.237 -0.150 1.00 4.61 O ATOM 0 H TYR A 252 15.236 -7.499 -2.753 1.00 0.54 H new ATOM 0 HA TYR A 252 15.255 -10.258 -1.899 1.00 0.65 H new ATOM 0 HB2 TYR A 252 17.075 -9.101 -3.199 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.424 -8.139 -1.776 1.00 0.77 H new ATOM 0 HD1 TYR A 252 17.140 -11.708 -2.876 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.965 -8.955 -0.181 1.00 2.46 H new ATOM 0 HE1 TYR A 252 18.588 -13.497 -2.031 1.00 2.83 H new ATOM 0 HE2 TYR A 252 20.411 -10.750 0.669 1.00 3.46 H new ATOM 0 HH TYR A 252 20.976 -12.881 0.547 1.00 4.61 H new ATOM 524 N ASP A 253 14.988 -7.859 0.224 1.00 0.50 N ATOM 525 CA ASP A 253 14.737 -7.526 1.613 1.00 0.51 C ATOM 526 C ASP A 253 13.359 -8.020 1.989 1.00 0.48 C ATOM 527 O ASP A 253 12.396 -7.252 1.965 1.00 0.43 O ATOM 528 CB ASP A 253 14.794 -6.015 1.781 1.00 0.49 C ATOM 529 CG ASP A 253 14.788 -5.563 3.230 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.870 -5.540 3.851 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.721 -5.196 3.755 1.00 1.32 O ATOM 0 H ASP A 253 14.765 -7.109 -0.431 1.00 0.50 H new ATOM 0 HA ASP A 253 15.486 -7.993 2.253 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.694 -5.638 1.295 1.00 0.49 H new ATOM 0 HB3 ASP A 253 13.943 -5.568 1.267 1.00 0.49 H new ATOM 536 N LYS A 254 13.268 -9.296 2.351 1.00 0.55 N ATOM 537 CA LYS A 254 11.988 -9.971 2.408 1.00 0.55 C ATOM 538 C LYS A 254 11.352 -9.865 1.038 1.00 0.49 C ATOM 539 O LYS A 254 11.560 -10.721 0.179 1.00 0.54 O ATOM 540 CB LYS A 254 11.072 -9.379 3.491 1.00 0.57 C ATOM 541 CG LYS A 254 11.502 -9.723 4.906 1.00 0.73 C ATOM 542 CD LYS A 254 11.510 -8.500 5.812 1.00 1.32 C ATOM 543 CE LYS A 254 12.517 -7.464 5.340 1.00 1.62 C ATOM 544 NZ LYS A 254 12.696 -6.364 6.323 1.00 2.40 N ATOM 0 H LYS A 254 14.066 -9.877 2.607 1.00 0.55 H new ATOM 0 HA LYS A 254 12.138 -11.016 2.680 1.00 0.55 H new ATOM 0 HB2 LYS A 254 11.047 -8.295 3.381 1.00 0.57 H new ATOM 0 HB3 LYS A 254 10.055 -9.739 3.332 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.828 -10.475 5.317 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.498 -10.165 4.885 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.514 -8.057 5.836 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.749 -8.803 6.832 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.477 -7.948 5.161 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.188 -7.048 4.388 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 13.121 -5.541 5.850 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 11.772 -6.097 6.718 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.321 -6.683 7.091 1.00 2.40 H new ATOM 558 N THR A 255 10.583 -8.810 0.843 1.00 0.42 N ATOM 559 CA THR A 255 10.052 -8.485 -0.465 1.00 0.39 C ATOM 560 C THR A 255 10.079 -6.982 -0.747 1.00 0.31 C ATOM 561 O THR A 255 9.713 -6.561 -1.826 1.00 0.32 O ATOM 562 CB THR A 255 8.622 -9.026 -0.612 1.00 0.47 C ATOM 563 OG1 THR A 255 7.850 -8.666 0.547 1.00 0.49 O ATOM 564 CG2 THR A 255 8.633 -10.537 -0.767 1.00 0.60 C ATOM 0 H THR A 255 10.311 -8.160 1.581 1.00 0.42 H new ATOM 0 HA THR A 255 10.698 -8.965 -1.201 1.00 0.39 H new ATOM 0 HB THR A 255 8.174 -8.588 -1.504 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.937 -9.010 0.452 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.610 -10.900 -0.870 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.205 -10.808 -1.655 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.092 -10.990 0.112 1.00 0.60 H new ATOM 572 N ALA A 256 10.601 -6.225 0.210 1.00 0.26 N ATOM 573 CA ALA A 256 10.358 -4.777 0.372 1.00 0.21 C ATOM 574 C ALA A 256 10.175 -3.935 -0.907 1.00 0.17 C ATOM 575 O ALA A 256 10.932 -4.047 -1.876 1.00 0.21 O ATOM 576 CB ALA A 256 11.468 -4.187 1.216 1.00 0.23 C ATOM 0 H ALA A 256 11.226 -6.603 0.922 1.00 0.26 H new ATOM 0 HA ALA A 256 9.380 -4.721 0.851 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.300 -3.118 1.343 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.479 -4.671 2.193 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.426 -4.347 0.721 1.00 0.23 H new ATOM 582 N LEU A 257 9.149 -3.062 -0.855 1.00 0.14 N ATOM 583 CA LEU A 257 8.904 -2.039 -1.882 1.00 0.14 C ATOM 584 C LEU A 257 10.031 -1.032 -1.932 1.00 0.13 C ATOM 585 O LEU A 257 10.410 -0.483 -0.904 1.00 0.15 O ATOM 586 CB LEU A 257 7.625 -1.232 -1.591 1.00 0.15 C ATOM 587 CG LEU A 257 6.316 -1.787 -2.126 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.482 -2.367 -3.515 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.761 -2.804 -1.165 1.00 0.21 C ATOM 0 H LEU A 257 8.467 -3.050 -0.096 1.00 0.14 H new ATOM 0 HA LEU A 257 8.814 -2.583 -2.822 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.531 -1.127 -0.510 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.758 -0.230 -1.998 1.00 0.15 H new ATOM 0 HG LEU A 257 5.603 -0.967 -2.213 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.525 -2.754 -3.864 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.829 -1.589 -4.195 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.212 -3.176 -3.487 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.822 -3.198 -1.554 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.475 -3.619 -1.045 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.583 -2.332 -0.199 1.00 0.21 H new ATOM 601 N ALA A 258 10.512 -0.739 -3.123 1.00 0.14 N ATOM 602 CA ALA A 258 11.520 0.287 -3.294 1.00 0.16 C ATOM 603 C ALA A 258 10.872 1.629 -3.614 1.00 0.17 C ATOM 604 O ALA A 258 10.488 1.881 -4.758 1.00 0.24 O ATOM 605 CB ALA A 258 12.476 -0.123 -4.395 1.00 0.22 C ATOM 0 H ALA A 258 10.221 -1.197 -3.987 1.00 0.14 H new ATOM 0 HA ALA A 258 12.077 0.399 -2.364 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.235 0.649 -4.524 1.00 0.22 H new ATOM 0 HB2 ALA A 258 12.957 -1.064 -4.127 1.00 0.22 H new ATOM 0 HB3 ALA A 258 11.925 -0.250 -5.327 1.00 0.22 H new ATOM 611 N LEU A 259 10.722 2.476 -2.596 1.00 0.13 N ATOM 612 CA LEU A 259 10.127 3.794 -2.781 1.00 0.15 C ATOM 613 C LEU A 259 10.558 4.738 -1.670 1.00 0.15 C ATOM 614 O LEU A 259 11.083 4.307 -0.648 1.00 0.18 O ATOM 615 CB LEU A 259 8.591 3.720 -2.867 1.00 0.20 C ATOM 616 CG LEU A 259 7.940 2.439 -2.333 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.260 2.231 -0.865 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.436 2.490 -2.540 1.00 0.55 C ATOM 0 H LEU A 259 11.004 2.271 -1.638 1.00 0.13 H new ATOM 0 HA LEU A 259 10.489 4.186 -3.731 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.177 4.567 -2.320 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.301 3.841 -3.911 1.00 0.20 H new ATOM 0 HG LEU A 259 8.348 1.596 -2.890 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.784 1.315 -0.515 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.339 2.152 -0.736 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.886 3.077 -0.288 1.00 0.66 H new ATOM 0 HD21 LEU A 259 5.985 1.575 -2.157 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.024 3.348 -2.008 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.218 2.584 -3.604 1.00 0.55 H new ATOM 630 N GLU A 260 10.314 6.021 -1.866 1.00 0.18 N ATOM 631 CA GLU A 260 10.781 7.039 -0.962 1.00 0.24 C ATOM 632 C GLU A 260 9.643 8.006 -0.675 1.00 0.20 C ATOM 633 O GLU A 260 8.504 7.767 -1.061 1.00 0.21 O ATOM 634 CB GLU A 260 11.998 7.752 -1.567 1.00 0.39 C ATOM 635 CG GLU A 260 11.680 9.029 -2.337 1.00 0.52 C ATOM 636 CD GLU A 260 12.819 9.444 -3.241 1.00 0.96 C ATOM 637 OE1 GLU A 260 13.762 10.097 -2.755 1.00 1.74 O ATOM 638 OE2 GLU A 260 12.768 9.130 -4.450 1.00 1.27 O ATOM 0 H GLU A 260 9.785 6.380 -2.660 1.00 0.18 H new ATOM 0 HA GLU A 260 11.098 6.594 -0.019 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.695 7.994 -0.764 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.510 7.060 -2.236 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.780 8.878 -2.933 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.465 9.833 -1.633 1.00 0.52 H new ATOM 645 N VAL A 261 9.945 9.057 0.035 1.00 0.33 N ATOM 646 CA VAL A 261 8.967 10.059 0.395 1.00 0.32 C ATOM 647 C VAL A 261 8.385 10.781 -0.813 1.00 0.22 C ATOM 648 O VAL A 261 9.115 11.358 -1.622 1.00 0.28 O ATOM 649 CB VAL A 261 9.639 11.060 1.319 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.698 12.189 1.686 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.140 10.296 2.519 1.00 0.93 C ATOM 0 H VAL A 261 10.883 9.249 0.386 1.00 0.33 H new ATOM 0 HA VAL A 261 8.132 9.560 0.887 1.00 0.32 H new ATOM 0 HB VAL A 261 10.481 11.544 0.824 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.209 12.888 2.348 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.384 12.710 0.781 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.823 11.783 2.193 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.631 10.983 3.209 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.300 9.816 3.021 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.852 9.536 2.196 1.00 0.93 H new ATOM 661 N GLY A 262 7.062 10.735 -0.938 1.00 0.17 N ATOM 662 CA GLY A 262 6.401 11.499 -1.964 1.00 0.20 C ATOM 663 C GLY A 262 5.943 10.628 -3.100 1.00 0.22 C ATOM 664 O GLY A 262 5.344 11.103 -4.064 1.00 0.31 O ATOM 0 H GLY A 262 6.443 10.182 -0.346 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.544 12.018 -1.535 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.080 12.263 -2.343 1.00 0.20 H new ATOM 668 N GLU A 263 6.218 9.343 -2.975 1.00 0.16 N ATOM 669 CA GLU A 263 5.961 8.410 -4.041 1.00 0.18 C ATOM 670 C GLU A 263 4.638 7.699 -3.815 1.00 0.15 C ATOM 671 O GLU A 263 4.029 7.827 -2.752 1.00 0.19 O ATOM 672 CB GLU A 263 7.108 7.415 -4.097 1.00 0.23 C ATOM 673 CG GLU A 263 8.463 8.087 -3.959 1.00 0.26 C ATOM 674 CD GLU A 263 8.856 8.871 -5.192 1.00 0.61 C ATOM 675 OE1 GLU A 263 8.505 10.064 -5.283 1.00 1.04 O ATOM 676 OE2 GLU A 263 9.519 8.300 -6.077 1.00 1.02 O ATOM 0 H GLU A 263 6.622 8.925 -2.137 1.00 0.16 H new ATOM 0 HA GLU A 263 5.892 8.939 -4.991 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.987 6.680 -3.301 1.00 0.23 H new ATOM 0 HB3 GLU A 263 7.069 6.872 -5.041 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.446 8.756 -3.099 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.221 7.329 -3.759 1.00 0.26 H new ATOM 683 N LEU A 264 4.198 6.947 -4.800 1.00 0.14 N ATOM 684 CA LEU A 264 2.932 6.253 -4.700 1.00 0.13 C ATOM 685 C LEU A 264 3.112 4.798 -5.059 1.00 0.15 C ATOM 686 O LEU A 264 4.002 4.440 -5.827 1.00 0.24 O ATOM 687 CB LEU A 264 1.898 6.902 -5.628 1.00 0.15 C ATOM 688 CG LEU A 264 0.442 6.499 -5.385 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.103 7.193 -4.151 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.409 6.827 -6.605 1.00 0.18 C ATOM 0 H LEU A 264 4.697 6.800 -5.678 1.00 0.14 H new ATOM 0 HA LEU A 264 2.572 6.322 -3.673 1.00 0.13 H new ATOM 0 HB2 LEU A 264 1.977 7.985 -5.529 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.157 6.656 -6.658 1.00 0.15 H new ATOM 0 HG LEU A 264 0.403 5.423 -5.217 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.139 6.895 -3.994 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.492 6.911 -3.282 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.053 8.273 -4.289 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.442 6.535 -6.417 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.365 7.898 -6.802 1.00 0.18 H new ATOM 0 HD23 LEU A 264 -0.030 6.283 -7.470 1.00 0.18 H new ATOM 702 N VAL A 265 2.257 3.967 -4.505 1.00 0.14 N ATOM 703 CA VAL A 265 2.329 2.549 -4.724 1.00 0.15 C ATOM 704 C VAL A 265 0.921 2.067 -4.979 1.00 0.15 C ATOM 705 O VAL A 265 -0.037 2.780 -4.682 1.00 0.27 O ATOM 706 CB VAL A 265 2.924 1.815 -3.495 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.879 1.619 -2.421 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.520 0.482 -3.885 1.00 0.41 C ATOM 0 H VAL A 265 1.496 4.259 -3.892 1.00 0.14 H new ATOM 0 HA VAL A 265 2.982 2.337 -5.571 1.00 0.15 H new ATOM 0 HB VAL A 265 3.720 2.444 -3.097 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.324 1.102 -1.571 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.502 2.590 -2.099 1.00 0.40 H new ATOM 0 HG13 VAL A 265 1.056 1.024 -2.818 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.928 -0.007 -3.000 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.746 -0.148 -4.323 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.316 0.638 -4.613 1.00 0.41 H new ATOM 718 N LYS A 266 0.782 0.895 -5.527 1.00 0.13 N ATOM 719 CA LYS A 266 -0.521 0.307 -5.646 1.00 0.15 C ATOM 720 C LYS A 266 -0.544 -0.928 -4.782 1.00 0.13 C ATOM 721 O LYS A 266 -0.046 -1.984 -5.170 1.00 0.14 O ATOM 722 CB LYS A 266 -0.831 -0.019 -7.115 1.00 0.24 C ATOM 723 CG LYS A 266 -2.217 -0.610 -7.358 1.00 0.85 C ATOM 724 CD LYS A 266 -2.200 -2.131 -7.304 1.00 0.49 C ATOM 725 CE LYS A 266 -1.290 -2.713 -8.377 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.268 -4.200 -8.361 1.00 1.32 N ATOM 0 H LYS A 266 1.548 0.331 -5.896 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.292 1.001 -5.311 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.731 0.893 -7.704 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.082 -0.720 -7.483 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -2.912 -0.227 -6.610 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.585 -0.285 -8.331 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.862 -2.458 -6.321 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.212 -2.513 -7.436 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -1.622 -2.368 -9.356 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -0.277 -2.336 -8.233 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -1.333 -4.559 -9.335 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -0.381 -4.529 -7.930 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -2.074 -4.553 -7.807 1.00 1.32 H new ATOM 740 N VAL A 267 -1.091 -0.784 -3.591 1.00 0.16 N ATOM 741 CA VAL A 267 -1.221 -1.903 -2.702 1.00 0.16 C ATOM 742 C VAL A 267 -2.241 -2.883 -3.263 1.00 0.17 C ATOM 743 O VAL A 267 -3.441 -2.612 -3.293 1.00 0.25 O ATOM 744 CB VAL A 267 -1.646 -1.480 -1.285 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.328 -2.564 -0.310 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.992 -0.180 -0.859 1.00 0.63 C ATOM 0 H VAL A 267 -1.449 0.098 -3.224 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.241 -2.373 -2.625 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.723 -1.312 -1.301 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.633 -2.255 0.690 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -1.863 -3.472 -0.588 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.255 -2.758 -0.319 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.321 0.080 0.147 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.092 -0.298 -0.868 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.276 0.614 -1.550 1.00 0.63 H new ATOM 756 N THR A 268 -1.741 -4.004 -3.738 1.00 0.15 N ATOM 757 CA THR A 268 -2.560 -5.048 -4.302 1.00 0.19 C ATOM 758 C THR A 268 -3.112 -5.935 -3.188 1.00 0.22 C ATOM 759 O THR A 268 -4.025 -6.735 -3.392 1.00 0.34 O ATOM 760 CB THR A 268 -1.713 -5.908 -5.264 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.533 -6.862 -5.949 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.601 -6.621 -4.495 1.00 0.29 C ATOM 0 H THR A 268 -0.743 -4.215 -3.742 1.00 0.15 H new ATOM 0 HA THR A 268 -3.388 -4.594 -4.847 1.00 0.19 H new ATOM 0 HB THR A 268 -1.262 -5.249 -6.006 1.00 0.24 H new ATOM 0 HG1 THR A 268 -1.977 -7.396 -6.555 1.00 0.32 H new ATOM 0 HG21 THR A 268 -0.011 -7.224 -5.185 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.042 -5.882 -4.017 1.00 0.29 H new ATOM 0 HG23 THR A 268 -1.041 -7.266 -3.734 1.00 0.29 H new ATOM 770 N LYS A 269 -2.561 -5.764 -1.995 1.00 0.18 N ATOM 771 CA LYS A 269 -2.759 -6.674 -0.920 1.00 0.20 C ATOM 772 C LYS A 269 -3.374 -5.941 0.243 1.00 0.22 C ATOM 773 O LYS A 269 -2.812 -4.964 0.706 1.00 0.35 O ATOM 774 CB LYS A 269 -1.387 -7.215 -0.554 1.00 0.23 C ATOM 775 CG LYS A 269 -1.401 -8.379 0.386 1.00 0.40 C ATOM 776 CD LYS A 269 -1.785 -8.016 1.788 1.00 1.55 C ATOM 777 CE LYS A 269 -2.221 -9.273 2.483 1.00 2.25 C ATOM 778 NZ LYS A 269 -2.576 -9.069 3.907 1.00 2.84 N ATOM 0 H LYS A 269 -1.960 -4.974 -1.762 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.429 -7.489 -1.192 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.873 -7.511 -1.469 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.803 -6.411 -0.106 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -2.097 -9.129 0.011 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -0.412 -8.838 0.397 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.942 -7.563 2.310 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -2.590 -7.281 1.786 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.081 -9.689 1.958 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -1.421 -10.011 2.418 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -2.603 -9.988 4.393 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -1.864 -8.460 4.358 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -3.510 -8.616 3.970 1.00 2.84 H new ATOM 792 N ILE A 270 -4.506 -6.399 0.737 1.00 0.33 N ATOM 793 CA ILE A 270 -5.117 -5.713 1.851 1.00 0.39 C ATOM 794 C ILE A 270 -5.027 -6.540 3.123 1.00 0.55 C ATOM 795 O ILE A 270 -4.894 -7.762 3.067 1.00 0.73 O ATOM 796 CB ILE A 270 -6.582 -5.324 1.584 1.00 0.56 C ATOM 797 CG1 ILE A 270 -6.920 -5.462 0.097 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.804 -3.894 2.041 1.00 1.09 C ATOM 799 CD1 ILE A 270 -8.353 -5.110 -0.240 1.00 1.90 C ATOM 0 H ILE A 270 -5.008 -7.219 0.396 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.552 -4.790 1.981 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.237 -5.995 2.140 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -6.253 -4.820 -0.478 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -6.724 -6.487 -0.217 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.840 -3.609 1.856 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.591 -3.816 3.107 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.141 -3.228 1.489 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -8.515 -5.232 -1.311 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.028 -5.769 0.307 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -8.549 -4.075 0.041 1.00 1.90 H new ATOM 811 N ASN A 271 -5.090 -5.873 4.266 1.00 0.60 N ATOM 812 CA ASN A 271 -4.899 -6.539 5.546 1.00 0.82 C ATOM 813 C ASN A 271 -5.566 -5.745 6.659 1.00 0.70 C ATOM 814 O ASN A 271 -6.105 -4.668 6.417 1.00 0.87 O ATOM 815 CB ASN A 271 -3.406 -6.688 5.844 1.00 1.17 C ATOM 816 CG ASN A 271 -2.799 -5.406 6.361 1.00 1.58 C ATOM 817 OD1 ASN A 271 -2.582 -5.244 7.560 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.562 -4.469 5.467 1.00 1.88 N ATOM 0 H ASN A 271 -5.272 -4.872 4.333 1.00 0.60 H new ATOM 0 HA ASN A 271 -5.354 -7.528 5.493 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -3.261 -7.480 6.579 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -2.885 -6.996 4.937 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.184 -3.568 5.760 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -2.756 -4.644 4.481 1.00 1.88 H new ATOM 825 N MET A 272 -5.487 -6.265 7.875 1.00 0.81 N ATOM 826 CA MET A 272 -6.185 -5.697 9.024 1.00 0.97 C ATOM 827 C MET A 272 -5.401 -4.570 9.702 1.00 1.02 C ATOM 828 O MET A 272 -5.978 -3.566 10.121 1.00 1.22 O ATOM 829 CB MET A 272 -6.461 -6.797 10.056 1.00 1.24 C ATOM 830 CG MET A 272 -5.204 -7.534 10.512 1.00 1.30 C ATOM 831 SD MET A 272 -4.611 -8.734 9.298 1.00 2.03 S ATOM 832 CE MET A 272 -3.130 -9.333 10.112 1.00 2.52 C ATOM 0 H MET A 272 -4.936 -7.095 8.096 1.00 0.81 H new ATOM 0 HA MET A 272 -7.115 -5.272 8.647 1.00 0.97 H new ATOM 0 HB2 MET A 272 -6.949 -6.355 10.925 1.00 1.24 H new ATOM 0 HB3 MET A 272 -7.160 -7.517 9.630 1.00 1.24 H new ATOM 0 HG2 MET A 272 -4.416 -6.808 10.712 1.00 1.30 H new ATOM 0 HG3 MET A 272 -5.411 -8.047 11.451 1.00 1.30 H new ATOM 0 HE1 MET A 272 -2.649 -10.084 9.485 1.00 2.52 H new ATOM 0 HE2 MET A 272 -2.443 -8.502 10.276 1.00 2.52 H new ATOM 0 HE3 MET A 272 -3.396 -9.778 11.071 1.00 2.52 H new ATOM 842 N SER A 273 -4.096 -4.737 9.803 1.00 0.93 N ATOM 843 CA SER A 273 -3.274 -3.872 10.647 1.00 1.02 C ATOM 844 C SER A 273 -2.671 -2.706 9.869 1.00 0.91 C ATOM 845 O SER A 273 -1.919 -1.904 10.426 1.00 1.14 O ATOM 846 CB SER A 273 -2.159 -4.701 11.290 1.00 1.14 C ATOM 847 OG SER A 273 -2.679 -5.881 11.880 1.00 1.50 O ATOM 0 H SER A 273 -3.576 -5.464 9.312 1.00 0.93 H new ATOM 0 HA SER A 273 -3.920 -3.447 11.415 1.00 1.02 H new ATOM 0 HB2 SER A 273 -1.416 -4.964 10.537 1.00 1.14 H new ATOM 0 HB3 SER A 273 -1.649 -4.106 12.047 1.00 1.14 H new ATOM 0 HG SER A 273 -1.948 -6.395 12.283 1.00 1.50 H new ATOM 853 N GLY A 274 -2.999 -2.603 8.590 1.00 0.64 N ATOM 854 CA GLY A 274 -2.431 -1.554 7.774 1.00 0.61 C ATOM 855 C GLY A 274 -1.056 -1.920 7.261 1.00 0.49 C ATOM 856 O GLY A 274 -0.351 -1.085 6.707 1.00 0.57 O ATOM 0 H GLY A 274 -3.646 -3.225 8.105 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.091 -1.353 6.931 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.368 -0.635 8.356 1.00 0.61 H new ATOM 860 N GLN A 275 -0.674 -3.180 7.426 1.00 0.41 N ATOM 861 CA GLN A 275 0.642 -3.625 6.996 1.00 0.40 C ATOM 862 C GLN A 275 0.479 -4.539 5.799 1.00 0.32 C ATOM 863 O GLN A 275 0.451 -5.762 5.925 1.00 0.41 O ATOM 864 CB GLN A 275 1.374 -4.346 8.129 1.00 0.56 C ATOM 865 CG GLN A 275 2.841 -4.623 7.825 1.00 0.69 C ATOM 866 CD GLN A 275 3.536 -5.398 8.929 1.00 0.76 C ATOM 867 OE1 GLN A 275 3.575 -6.626 8.914 1.00 1.36 O ATOM 868 NE2 GLN A 275 4.088 -4.684 9.898 1.00 0.81 N ATOM 0 H GLN A 275 -1.252 -3.905 7.851 1.00 0.41 H new ATOM 0 HA GLN A 275 1.243 -2.759 6.719 1.00 0.40 H new ATOM 0 HB2 GLN A 275 1.306 -3.744 9.035 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.869 -5.290 8.334 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.914 -5.183 6.893 1.00 0.69 H new ATOM 0 HG3 GLN A 275 3.360 -3.677 7.670 1.00 0.69 H new ATOM 0 HE21 GLN A 275 4.035 -3.666 9.875 1.00 0.81 H new ATOM 0 HE22 GLN A 275 4.567 -5.152 10.667 1.00 0.81 H new ATOM 877 N TRP A 276 0.335 -3.929 4.643 1.00 0.22 N ATOM 878 CA TRP A 276 -0.001 -4.648 3.435 1.00 0.17 C ATOM 879 C TRP A 276 1.193 -4.818 2.542 1.00 0.15 C ATOM 880 O TRP A 276 2.314 -4.453 2.892 1.00 0.19 O ATOM 881 CB TRP A 276 -1.086 -3.929 2.645 1.00 0.18 C ATOM 882 CG TRP A 276 -1.350 -2.514 3.081 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.443 -1.494 3.162 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.613 -1.957 3.462 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.060 -0.350 3.600 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.394 -0.606 3.784 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.907 -2.471 3.570 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.419 0.235 4.204 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.923 -1.634 3.987 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.675 -0.296 4.297 1.00 0.47 C ATOM 0 H TRP A 276 0.447 -2.923 4.515 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.361 -5.626 3.753 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.806 -3.924 1.592 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.012 -4.498 2.726 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.606 -1.577 2.917 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.601 0.546 3.762 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.109 -3.505 3.332 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.229 1.270 4.448 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.927 -2.022 4.075 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.493 0.333 4.617 1.00 0.47 H new ATOM 901 N GLU A 277 0.931 -5.363 1.375 1.00 0.12 N ATOM 902 CA GLU A 277 1.952 -5.574 0.402 1.00 0.12 C ATOM 903 C GLU A 277 1.734 -4.623 -0.747 1.00 0.11 C ATOM 904 O GLU A 277 0.654 -4.583 -1.307 1.00 0.12 O ATOM 905 CB GLU A 277 1.893 -7.005 -0.096 1.00 0.14 C ATOM 906 CG GLU A 277 2.440 -8.011 0.896 1.00 0.19 C ATOM 907 CD GLU A 277 2.393 -9.428 0.373 1.00 1.21 C ATOM 908 OE1 GLU A 277 2.549 -9.616 -0.853 1.00 1.55 O ATOM 909 OE2 GLU A 277 2.182 -10.355 1.181 1.00 2.07 O ATOM 0 H GLU A 277 0.002 -5.668 1.084 1.00 0.12 H new ATOM 0 HA GLU A 277 2.931 -5.395 0.846 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.858 -7.259 -0.327 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.455 -7.081 -1.027 1.00 0.14 H new ATOM 0 HG2 GLU A 277 3.470 -7.752 1.140 1.00 0.19 H new ATOM 0 HG3 GLU A 277 1.868 -7.950 1.822 1.00 0.19 H new ATOM 916 N GLY A 278 2.748 -3.873 -1.105 1.00 0.13 N ATOM 917 CA GLY A 278 2.602 -2.909 -2.174 1.00 0.12 C ATOM 918 C GLY A 278 3.146 -3.426 -3.468 1.00 0.12 C ATOM 919 O GLY A 278 3.903 -4.395 -3.494 1.00 0.15 O ATOM 0 H GLY A 278 3.674 -3.908 -0.679 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.548 -2.660 -2.297 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.118 -1.987 -1.905 1.00 0.12 H new ATOM 923 N GLU A 279 2.747 -2.791 -4.537 1.00 0.11 N ATOM 924 CA GLU A 279 3.343 -3.045 -5.823 1.00 0.14 C ATOM 925 C GLU A 279 3.632 -1.707 -6.487 1.00 0.17 C ATOM 926 O GLU A 279 2.717 -0.928 -6.748 1.00 0.20 O ATOM 927 CB GLU A 279 2.397 -3.889 -6.676 1.00 0.20 C ATOM 928 CG GLU A 279 3.023 -4.425 -7.948 1.00 0.31 C ATOM 929 CD GLU A 279 2.047 -5.247 -8.755 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.253 -4.657 -9.514 1.00 1.27 O ATOM 931 OE2 GLU A 279 2.079 -6.492 -8.646 1.00 2.07 O ATOM 0 H GLU A 279 2.007 -2.089 -4.543 1.00 0.11 H new ATOM 0 HA GLU A 279 4.274 -3.601 -5.711 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.037 -4.727 -6.079 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.527 -3.287 -6.938 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.384 -3.593 -8.553 1.00 0.31 H new ATOM 0 HG3 GLU A 279 3.890 -5.036 -7.696 1.00 0.31 H new ATOM 938 N CYS A 280 4.896 -1.433 -6.751 1.00 0.20 N ATOM 939 CA CYS A 280 5.275 -0.136 -7.283 1.00 0.27 C ATOM 940 C CYS A 280 5.765 -0.248 -8.714 1.00 0.29 C ATOM 941 O CYS A 280 6.966 -0.359 -8.939 1.00 0.33 O ATOM 942 CB CYS A 280 6.419 0.419 -6.443 1.00 0.39 C ATOM 943 SG CYS A 280 6.337 2.189 -6.127 1.00 0.51 S ATOM 0 H CYS A 280 5.670 -2.082 -6.608 1.00 0.20 H new ATOM 0 HA CYS A 280 4.400 0.513 -7.255 1.00 0.27 H new ATOM 0 HB2 CYS A 280 6.437 -0.106 -5.488 1.00 0.39 H new ATOM 0 HB3 CYS A 280 7.360 0.198 -6.946 1.00 0.39 H new ATOM 0 HG CYS A 280 5.094 2.567 -6.096 1.00 0.51 H new ATOM 949 N ASN A 281 4.857 -0.130 -9.679 1.00 0.37 N ATOM 950 CA ASN A 281 5.213 -0.317 -11.091 1.00 0.49 C ATOM 951 C ASN A 281 6.217 -1.459 -11.255 1.00 0.45 C ATOM 952 O ASN A 281 7.177 -1.356 -12.019 1.00 0.53 O ATOM 953 CB ASN A 281 5.782 0.968 -11.698 1.00 0.63 C ATOM 954 CG ASN A 281 4.737 1.796 -12.424 1.00 0.80 C ATOM 955 OD1 ASN A 281 5.032 2.442 -13.432 1.00 1.44 O ATOM 956 ND2 ASN A 281 3.513 1.801 -11.923 1.00 0.97 N ATOM 0 H ASN A 281 3.875 0.092 -9.516 1.00 0.37 H new ATOM 0 HA ASN A 281 4.298 -0.573 -11.625 1.00 0.49 H new ATOM 0 HB2 ASN A 281 6.229 1.570 -10.907 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.581 0.712 -12.393 1.00 0.63 H new ATOM 0 HD21 ASN A 281 2.780 2.350 -12.372 1.00 0.97 H new ATOM 0 HD22 ASN A 281 3.302 1.255 -11.087 1.00 0.97 H new ATOM 963 N GLY A 282 5.974 -2.549 -10.540 1.00 0.37 N ATOM 964 CA GLY A 282 6.848 -3.696 -10.599 1.00 0.39 C ATOM 965 C GLY A 282 7.725 -3.912 -9.373 1.00 0.34 C ATOM 966 O GLY A 282 8.414 -4.929 -9.293 1.00 0.46 O ATOM 0 H GLY A 282 5.176 -2.656 -9.914 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.240 -4.588 -10.751 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.492 -3.596 -11.473 1.00 0.39 H new ATOM 970 N LYS A 283 7.727 -2.991 -8.419 1.00 0.25 N ATOM 971 CA LYS A 283 8.242 -3.318 -7.098 1.00 0.23 C ATOM 972 C LYS A 283 7.142 -4.040 -6.353 1.00 0.14 C ATOM 973 O LYS A 283 5.968 -3.781 -6.591 1.00 0.17 O ATOM 974 CB LYS A 283 8.661 -2.077 -6.287 1.00 0.33 C ATOM 975 CG LYS A 283 9.154 -0.930 -7.131 1.00 0.74 C ATOM 976 CD LYS A 283 10.465 -1.266 -7.747 1.00 0.61 C ATOM 977 CE LYS A 283 11.014 -0.129 -8.594 1.00 1.28 C ATOM 978 NZ LYS A 283 10.149 0.170 -9.767 1.00 1.93 N ATOM 0 H LYS A 283 7.387 -2.036 -8.530 1.00 0.25 H new ATOM 0 HA LYS A 283 9.136 -3.929 -7.221 1.00 0.23 H new ATOM 0 HB2 LYS A 283 7.811 -1.739 -5.694 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.445 -2.362 -5.586 1.00 0.33 H new ATOM 0 HG2 LYS A 283 8.426 -0.704 -7.910 1.00 0.74 H new ATOM 0 HG3 LYS A 283 9.252 -0.034 -6.517 1.00 0.74 H new ATOM 0 HD2 LYS A 283 11.181 -1.509 -6.962 1.00 0.61 H new ATOM 0 HD3 LYS A 283 10.355 -2.157 -8.366 1.00 0.61 H new ATOM 0 HE2 LYS A 283 11.110 0.766 -7.979 1.00 1.28 H new ATOM 0 HE3 LYS A 283 12.015 -0.387 -8.940 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 10.642 0.829 -10.403 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 9.938 -0.712 -10.277 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 9.261 0.602 -9.442 1.00 1.93 H new ATOM 992 N ARG A 284 7.507 -4.933 -5.475 1.00 0.16 N ATOM 993 CA ARG A 284 6.550 -5.597 -4.621 1.00 0.12 C ATOM 994 C ARG A 284 7.087 -5.512 -3.204 1.00 0.13 C ATOM 995 O ARG A 284 8.183 -5.007 -3.021 1.00 0.20 O ATOM 996 CB ARG A 284 6.360 -7.049 -5.063 1.00 0.18 C ATOM 997 CG ARG A 284 5.381 -7.839 -4.212 1.00 0.21 C ATOM 998 CD ARG A 284 3.942 -7.437 -4.438 1.00 0.26 C ATOM 999 NE ARG A 284 3.051 -8.224 -3.588 1.00 0.41 N ATOM 1000 CZ ARG A 284 1.963 -8.848 -4.020 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.630 -8.803 -5.303 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.226 -9.544 -3.169 1.00 0.67 N ATOM 0 H ARG A 284 8.474 -5.224 -5.328 1.00 0.16 H new ATOM 0 HA ARG A 284 5.571 -5.121 -4.680 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.015 -7.059 -6.097 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.327 -7.552 -5.044 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.494 -8.901 -4.430 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.630 -7.701 -3.160 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.817 -6.376 -4.222 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.678 -7.583 -5.485 1.00 0.26 H new ATOM 0 HE ARG A 284 3.281 -8.298 -2.597 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.212 -8.287 -5.963 1.00 0.57 H new ATOM 0 HH12 ARG A 284 0.792 -9.285 -5.630 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.496 -9.598 -2.187 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.388 -10.026 -3.495 1.00 0.67 H new ATOM 1016 N GLY A 285 6.322 -5.911 -2.204 1.00 0.14 N ATOM 1017 CA GLY A 285 6.871 -5.981 -0.872 1.00 0.18 C ATOM 1018 C GLY A 285 5.808 -5.807 0.161 1.00 0.14 C ATOM 1019 O GLY A 285 4.646 -5.994 -0.136 1.00 0.15 O ATOM 0 H GLY A 285 5.343 -6.184 -2.289 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.366 -6.942 -0.730 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.631 -5.210 -0.748 1.00 0.18 H new ATOM 1023 N HIS A 286 6.193 -5.418 1.359 1.00 0.15 N ATOM 1024 CA HIS A 286 5.234 -5.229 2.435 1.00 0.13 C ATOM 1025 C HIS A 286 5.721 -4.145 3.391 1.00 0.15 C ATOM 1026 O HIS A 286 6.888 -4.130 3.782 1.00 0.20 O ATOM 1027 CB HIS A 286 4.979 -6.559 3.168 1.00 0.18 C ATOM 1028 CG HIS A 286 6.195 -7.160 3.830 1.00 0.26 C ATOM 1029 ND1 HIS A 286 6.126 -8.075 4.858 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.516 -6.975 3.594 1.00 0.67 C ATOM 1031 CE1 HIS A 286 7.349 -8.418 5.221 1.00 0.65 C ATOM 1032 NE2 HIS A 286 8.212 -7.764 4.471 1.00 0.52 N ATOM 0 H HIS A 286 7.162 -5.226 1.615 1.00 0.15 H new ATOM 0 HA HIS A 286 4.285 -4.899 2.012 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.212 -6.399 3.926 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.577 -7.279 2.455 1.00 0.18 H new ATOM 0 HD1 HIS A 286 5.265 -8.432 5.274 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.944 -6.322 2.848 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.600 -9.119 6.003 1.00 0.65 H new ATOM 1041 N PHE A 287 4.830 -3.230 3.739 1.00 0.14 N ATOM 1042 CA PHE A 287 5.177 -2.093 4.583 1.00 0.17 C ATOM 1043 C PHE A 287 3.969 -1.633 5.402 1.00 0.20 C ATOM 1044 O PHE A 287 2.839 -1.656 4.915 1.00 0.29 O ATOM 1045 CB PHE A 287 5.727 -0.943 3.725 1.00 0.20 C ATOM 1046 CG PHE A 287 7.188 -1.071 3.408 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.132 -0.982 4.417 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.616 -1.266 2.106 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.479 -1.089 4.134 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.961 -1.371 1.817 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.894 -1.282 2.831 1.00 0.30 C ATOM 0 H PHE A 287 3.853 -3.252 3.448 1.00 0.14 H new ATOM 0 HA PHE A 287 5.954 -2.405 5.281 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.165 -0.897 2.792 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.559 -0.000 4.246 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.811 -0.827 5.437 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.890 -1.337 1.309 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.206 -1.022 4.930 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.284 -1.523 0.798 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.947 -1.363 2.605 1.00 0.30 H new ATOM 1061 N PRO A 288 4.197 -1.222 6.662 1.00 0.22 N ATOM 1062 CA PRO A 288 3.125 -0.831 7.588 1.00 0.26 C ATOM 1063 C PRO A 288 2.505 0.532 7.271 1.00 0.24 C ATOM 1064 O PRO A 288 3.068 1.335 6.517 1.00 0.28 O ATOM 1065 CB PRO A 288 3.820 -0.785 8.959 1.00 0.33 C ATOM 1066 CG PRO A 288 5.190 -1.343 8.746 1.00 0.54 C ATOM 1067 CD PRO A 288 5.513 -1.117 7.299 1.00 0.32 C ATOM 0 HA PRO A 288 2.293 -1.532 7.530 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.869 0.236 9.337 1.00 0.33 H new ATOM 0 HB3 PRO A 288 3.270 -1.371 9.695 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.917 -0.847 9.389 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.220 -2.405 8.990 1.00 0.54 H new ATOM 0 HD2 PRO A 288 5.968 -0.141 7.132 1.00 0.32 H new ATOM 0 HD3 PRO A 288 6.210 -1.863 6.917 1.00 0.32 H new ATOM 1075 N PHE A 289 1.348 0.785 7.882 1.00 0.31 N ATOM 1076 CA PHE A 289 0.581 2.011 7.668 1.00 0.37 C ATOM 1077 C PHE A 289 1.225 3.196 8.395 1.00 0.33 C ATOM 1078 O PHE A 289 0.806 4.342 8.239 1.00 0.39 O ATOM 1079 CB PHE A 289 -0.853 1.812 8.174 1.00 0.60 C ATOM 1080 CG PHE A 289 -1.854 2.768 7.580 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.420 2.505 6.346 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -2.228 3.921 8.252 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -3.342 3.370 5.790 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -3.150 4.792 7.701 1.00 1.12 C ATOM 1085 CZ PHE A 289 -3.708 4.514 6.467 1.00 0.50 C ATOM 0 H PHE A 289 0.914 0.141 8.543 1.00 0.31 H new ATOM 0 HA PHE A 289 0.570 2.230 6.600 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.166 0.792 7.953 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -0.862 1.921 9.259 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -2.137 1.611 5.810 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -1.795 4.142 9.216 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -3.776 3.150 4.826 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -3.434 5.688 8.234 1.00 1.12 H new ATOM 0 HZ PHE A 289 -4.429 5.192 6.034 1.00 0.50 H new ATOM 1095 N THR A 290 2.274 2.905 9.153 1.00 0.33 N ATOM 1096 CA THR A 290 2.891 3.852 10.070 1.00 0.41 C ATOM 1097 C THR A 290 3.624 5.005 9.372 1.00 0.38 C ATOM 1098 O THR A 290 4.341 5.767 10.023 1.00 0.57 O ATOM 1099 CB THR A 290 3.884 3.098 10.964 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.663 2.201 10.157 1.00 0.50 O ATOM 1101 CG2 THR A 290 3.154 2.313 12.044 1.00 0.61 C ATOM 0 H THR A 290 2.726 1.991 9.147 1.00 0.33 H new ATOM 0 HA THR A 290 2.084 4.302 10.648 1.00 0.41 H new ATOM 0 HB THR A 290 4.537 3.823 11.450 1.00 0.51 H new ATOM 0 HG1 THR A 290 5.300 1.719 10.725 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.879 1.787 12.665 1.00 0.61 H new ATOM 0 HG22 THR A 290 2.575 2.998 12.664 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.484 1.591 11.578 1.00 0.61 H new ATOM 1109 N HIS A 291 3.447 5.135 8.061 1.00 0.25 N ATOM 1110 CA HIS A 291 4.119 6.182 7.291 1.00 0.26 C ATOM 1111 C HIS A 291 3.602 6.212 5.858 1.00 0.23 C ATOM 1112 O HIS A 291 4.354 6.467 4.913 1.00 0.26 O ATOM 1113 CB HIS A 291 5.650 6.001 7.311 1.00 0.35 C ATOM 1114 CG HIS A 291 6.125 4.578 7.216 1.00 0.40 C ATOM 1115 ND1 HIS A 291 5.486 3.605 6.473 1.00 1.01 N ATOM 1116 CD2 HIS A 291 7.180 3.964 7.800 1.00 1.26 C ATOM 1117 CE1 HIS A 291 6.129 2.461 6.610 1.00 0.72 C ATOM 1118 NE2 HIS A 291 7.158 2.653 7.406 1.00 0.88 N ATOM 0 H HIS A 291 2.843 4.528 7.507 1.00 0.25 H new ATOM 0 HA HIS A 291 3.891 7.138 7.763 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.078 6.567 6.483 1.00 0.35 H new ATOM 0 HB3 HIS A 291 6.040 6.437 8.231 1.00 0.35 H new ATOM 0 HD2 HIS A 291 7.905 4.423 8.456 1.00 1.26 H new ATOM 0 HE1 HIS A 291 5.856 1.525 6.146 1.00 0.72 H new ATOM 0 HE2 HIS A 291 7.832 1.940 7.685 1.00 0.88 H new ATOM 1127 N VAL A 292 2.311 5.943 5.703 1.00 0.21 N ATOM 1128 CA VAL A 292 1.666 5.993 4.398 1.00 0.21 C ATOM 1129 C VAL A 292 0.330 6.724 4.475 1.00 0.24 C ATOM 1130 O VAL A 292 -0.246 6.884 5.551 1.00 0.32 O ATOM 1131 CB VAL A 292 1.430 4.586 3.825 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.750 3.861 3.636 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.513 3.792 4.729 1.00 0.51 C ATOM 0 H VAL A 292 1.688 5.687 6.469 1.00 0.21 H new ATOM 0 HA VAL A 292 2.342 6.535 3.737 1.00 0.21 H new ATOM 0 HB VAL A 292 0.950 4.687 2.852 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.564 2.867 3.230 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.378 4.423 2.946 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.257 3.771 4.597 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.357 2.799 4.308 1.00 0.51 H new ATOM 0 HG22 VAL A 292 0.966 3.700 5.716 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.445 4.304 4.815 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.146 7.166 3.321 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.400 7.896 3.216 1.00 0.24 C ATOM 1145 C ARG A 293 -2.217 7.354 2.064 1.00 0.24 C ATOM 1146 O ARG A 293 -1.859 7.520 0.906 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.112 9.375 3.009 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.309 9.988 4.146 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.149 10.091 5.410 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.413 10.679 6.527 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.057 10.009 7.622 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.252 8.699 7.698 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.525 10.645 8.632 1.00 0.74 N ATOM 0 H ARG A 293 0.328 7.028 2.428 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.970 7.771 4.137 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.567 9.506 2.074 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.055 9.912 2.906 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.575 9.381 4.341 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.042 10.978 3.856 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -2.034 10.693 5.206 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.498 9.098 5.692 1.00 0.45 H new ATOM 0 HE ARG A 293 -0.156 11.664 6.464 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -0.676 8.200 6.916 1.00 0.69 H new ATOM 0 HH12 ARG A 293 0.022 8.190 8.539 1.00 0.69 H new ATOM 0 HH21 ARG A 293 0.700 11.648 8.570 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.797 10.131 9.470 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.316 6.716 2.386 1.00 0.23 N ATOM 1168 CA LEU A 294 -4.011 5.889 1.423 1.00 0.26 C ATOM 1169 C LEU A 294 -4.994 6.641 0.550 1.00 0.27 C ATOM 1170 O LEU A 294 -5.716 7.545 0.974 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.718 4.747 2.140 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.149 3.588 1.256 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -3.936 2.977 0.600 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -5.901 2.547 2.072 1.00 1.31 C ATOM 0 H LEU A 294 -3.751 6.752 3.308 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.247 5.505 0.747 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -4.056 4.363 2.916 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.599 5.146 2.642 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.821 3.958 0.482 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -4.245 2.146 -0.034 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -3.433 3.729 -0.008 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -3.252 2.614 1.367 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.202 1.724 1.423 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -5.254 2.167 2.863 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -6.787 3.002 2.515 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.971 6.207 -0.687 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.839 6.649 -1.743 1.00 0.31 C ATOM 1188 C LEU A 295 -6.817 5.537 -2.077 1.00 0.36 C ATOM 1189 O LEU A 295 -6.939 5.114 -3.229 1.00 0.52 O ATOM 1190 CB LEU A 295 -5.017 6.939 -2.971 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.298 8.274 -3.021 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -3.163 8.339 -2.007 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.787 8.463 -4.421 1.00 0.39 C ATOM 0 H LEU A 295 -4.308 5.497 -0.997 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.373 7.544 -1.426 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -4.272 6.150 -3.074 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.672 6.875 -3.840 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.987 9.076 -2.758 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.672 9.310 -2.073 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.564 8.202 -1.003 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.440 7.551 -2.219 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.263 9.416 -4.492 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -3.102 7.653 -4.671 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.625 8.457 -5.118 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.471 5.065 -1.054 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.331 3.896 -1.132 1.00 0.66 C ATOM 1207 C ASP A 296 -9.508 4.122 -2.076 1.00 0.86 C ATOM 1208 O ASP A 296 -10.125 5.187 -2.079 1.00 1.45 O ATOM 1209 CB ASP A 296 -8.803 3.483 0.270 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.378 4.621 1.094 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -8.703 5.667 1.240 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -10.469 4.446 1.659 1.00 1.97 O ATOM 0 H ASP A 296 -7.428 5.481 -0.124 1.00 0.55 H new ATOM 0 HA ASP A 296 -7.747 3.076 -1.549 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -9.558 2.703 0.172 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -7.963 3.047 0.810 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.785 3.106 -2.885 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.784 3.197 -3.949 1.00 0.87 C ATOM 1219 C GLN A 297 -11.984 2.281 -3.673 1.00 1.60 C ATOM 1220 O GLN A 297 -11.926 1.085 -4.051 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.150 2.826 -5.296 1.00 1.01 C ATOM 1222 CG GLN A 297 -8.959 3.692 -5.680 1.00 2.20 C ATOM 1223 CD GLN A 297 -9.366 5.017 -6.299 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -9.521 6.025 -5.611 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -9.546 5.027 -7.611 1.00 3.77 N ATOM 1226 OXT GLN A 297 -12.979 2.763 -3.098 1.00 2.17 O ATOM 0 H GLN A 297 -9.326 2.197 -2.824 1.00 0.62 H new ATOM 0 HA GLN A 297 -11.143 4.226 -3.983 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -9.832 1.784 -5.261 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -10.908 2.902 -6.076 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -8.354 3.882 -4.794 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -8.331 3.146 -6.384 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -9.409 4.173 -8.151 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -9.822 5.889 -8.081 1.00 3.77 H new TER 1235 GLN A 297