USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 489 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 276 HIS :FLIP no HD1:sc= -4.71! C(o=-7.6!,f=-5.3!) USER MOD Set 1.2: A 279 GLN : amide:sc= -0.632 K(o=-5.3,f=-9.1!) USER MOD Set 2.1: A 230 ASN : amide:sc= -5.91! C(o=-6.9!,f=-7.2!) USER MOD Set 2.2: A 272 GLN : amide:sc= -0.971 X(o=-6.9,f=-7.2) USER MOD Single : A 238 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 240 GLN :FLIP amide:sc= -0.612 F(o=-2.1,f=-0.61) USER MOD Single : A 242 GLN : amide:sc= -0.0122 K(o=-0.012,f=-0.64) USER MOD Single : A 243 ASN : amide:sc=-0.00821 X(o=-0.0082,f=0) USER MOD Single : A 244 MET CE :methyl 152:sc= -2.31! (180deg=-5.34!) USER MOD Single : A 246 GLN :FLIP amide:sc= -2.53! C(o=-3.2!,f=-2.5!) USER MOD Single : A 249 GLN : amide:sc= -3.21! C(o=-3.2!,f=-6.6!) USER MOD Single : A 250 GLN : amide:sc= -0.048 X(o=-0.048,f=0) USER MOD Single : A 251 ASN :FLIP amide:sc= 0 F(o=-1.8,f=0) USER MOD Single : A 260 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.8!) USER MOD Single : A 261 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 264 GLN : amide:sc= -0.292 K(o=-0.29,f=-3!) USER MOD Single : A 266 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.68) USER MOD Single : A 268 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 271 GLN : amide:sc= -0.294 K(o=-0.29,f=-1.2!) USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 277 GLN : amide:sc= -0.0313 K(o=-0.031,f=-1.6!) USER MOD Single : A 282 GLN : amide:sc= -1.91! C(o=-1.9!,f=-4.1!) USER MOD Single : A 283 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 285 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 230 -1.937 -6.772 -17.937 1.00 0.00 N ATOM 2 CA ASN A 230 -2.301 -6.313 -16.571 1.00 0.00 C ATOM 3 C ASN A 230 -2.180 -4.800 -16.446 1.00 0.00 C ATOM 4 O ASN A 230 -1.361 -4.172 -17.118 1.00 0.00 O ATOM 5 CB ASN A 230 -1.375 -6.995 -15.563 1.00 0.00 C ATOM 6 CG ASN A 230 -1.576 -8.497 -15.515 1.00 0.00 C ATOM 7 OD1 ASN A 230 -1.781 -9.141 -16.545 1.00 0.00 O ATOM 8 ND2 ASN A 230 -1.518 -9.063 -14.316 1.00 0.00 N ATOM 0 HA ASN A 230 -3.339 -6.579 -16.372 1.00 0.00 H new ATOM 0 HB2 ASN A 230 -0.339 -6.778 -15.822 1.00 0.00 H new ATOM 0 HB3 ASN A 230 -1.550 -6.576 -14.572 1.00 0.00 H new ATOM 0 HD21 ASN A 230 -1.646 -10.071 -14.221 1.00 0.00 H new ATOM 0 HD22 ASN A 230 -1.346 -8.490 -13.490 1.00 0.00 H new ATOM 15 N PRO A 231 -2.997 -4.195 -15.572 1.00 0.00 N ATOM 16 CA PRO A 231 -2.984 -2.752 -15.344 1.00 0.00 C ATOM 17 C PRO A 231 -1.861 -2.330 -14.403 1.00 0.00 C ATOM 18 O PRO A 231 -1.684 -1.145 -14.121 1.00 0.00 O ATOM 19 CB PRO A 231 -4.346 -2.502 -14.704 1.00 0.00 C ATOM 20 CG PRO A 231 -4.640 -3.756 -13.955 1.00 0.00 C ATOM 21 CD PRO A 231 -3.995 -4.878 -14.730 1.00 0.00 C ATOM 0 HA PRO A 231 -2.812 -2.184 -16.258 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -4.320 -1.639 -14.039 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -5.108 -2.301 -15.457 1.00 0.00 H new ATOM 0 HG2 PRO A 231 -4.242 -3.705 -12.942 1.00 0.00 H new ATOM 0 HG3 PRO A 231 -5.715 -3.913 -13.867 1.00 0.00 H new ATOM 0 HD2 PRO A 231 -3.528 -5.606 -14.066 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -4.724 -5.419 -15.333 1.00 0.00 H new ATOM 29 N LEU A 232 -1.102 -3.311 -13.923 1.00 0.00 N ATOM 30 CA LEU A 232 0.008 -3.049 -13.016 1.00 0.00 C ATOM 31 C LEU A 232 1.140 -2.343 -13.749 1.00 0.00 C ATOM 32 O LEU A 232 1.878 -1.553 -13.160 1.00 0.00 O ATOM 33 CB LEU A 232 0.516 -4.359 -12.408 1.00 0.00 C ATOM 34 CG LEU A 232 0.661 -4.355 -10.885 1.00 0.00 C ATOM 35 CD1 LEU A 232 1.976 -3.714 -10.475 1.00 0.00 C ATOM 36 CD2 LEU A 232 -0.510 -3.631 -10.242 1.00 0.00 C ATOM 0 H LEU A 232 -1.237 -4.297 -14.149 1.00 0.00 H new ATOM 0 HA LEU A 232 -0.348 -2.401 -12.215 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -0.166 -5.161 -12.690 1.00 0.00 H new ATOM 0 HB3 LEU A 232 1.485 -4.594 -12.849 1.00 0.00 H new ATOM 0 HG LEU A 232 0.661 -5.388 -10.536 1.00 0.00 H new ATOM 0 HD11 LEU A 232 2.061 -3.721 -9.388 1.00 0.00 H new ATOM 0 HD12 LEU A 232 2.805 -4.275 -10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 232 2.007 -2.686 -10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -0.391 -3.637 -9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -0.541 -2.601 -10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -1.439 -4.134 -10.508 1.00 0.00 H new ATOM 48 N GLU A 233 1.269 -2.632 -15.039 1.00 0.00 N ATOM 49 CA GLU A 233 2.309 -2.022 -15.855 1.00 0.00 C ATOM 50 C GLU A 233 2.503 -0.560 -15.470 1.00 0.00 C ATOM 51 O GLU A 233 3.631 -0.086 -15.333 1.00 0.00 O ATOM 52 CB GLU A 233 1.952 -2.130 -17.339 1.00 0.00 C ATOM 53 CG GLU A 233 1.479 -3.515 -17.753 1.00 0.00 C ATOM 54 CD GLU A 233 2.379 -4.151 -18.794 1.00 0.00 C ATOM 55 OE1 GLU A 233 2.547 -3.554 -19.878 1.00 0.00 O ATOM 56 OE2 GLU A 233 2.918 -5.246 -18.525 1.00 0.00 O ATOM 0 H GLU A 233 0.666 -3.284 -15.541 1.00 0.00 H new ATOM 0 HA GLU A 233 3.242 -2.556 -15.677 1.00 0.00 H new ATOM 0 HB2 GLU A 233 1.172 -1.405 -17.570 1.00 0.00 H new ATOM 0 HB3 GLU A 233 2.824 -1.860 -17.934 1.00 0.00 H new ATOM 0 HG2 GLU A 233 1.436 -4.158 -16.874 1.00 0.00 H new ATOM 0 HG3 GLU A 233 0.465 -3.446 -18.148 1.00 0.00 H new ATOM 63 N PHE A 234 1.392 0.149 -15.289 1.00 0.00 N ATOM 64 CA PHE A 234 1.442 1.556 -14.912 1.00 0.00 C ATOM 65 C PHE A 234 1.821 1.704 -13.440 1.00 0.00 C ATOM 66 O PHE A 234 2.543 2.629 -13.066 1.00 0.00 O ATOM 67 CB PHE A 234 0.096 2.235 -15.205 1.00 0.00 C ATOM 68 CG PHE A 234 -0.808 2.362 -14.012 1.00 0.00 C ATOM 69 CD1 PHE A 234 -0.489 3.226 -12.975 1.00 0.00 C ATOM 70 CD2 PHE A 234 -1.975 1.622 -13.927 1.00 0.00 C ATOM 71 CE1 PHE A 234 -1.317 3.346 -11.877 1.00 0.00 C ATOM 72 CE2 PHE A 234 -2.807 1.739 -12.831 1.00 0.00 C ATOM 73 CZ PHE A 234 -2.477 2.602 -11.805 1.00 0.00 C ATOM 0 H PHE A 234 0.450 -0.227 -15.397 1.00 0.00 H new ATOM 0 HA PHE A 234 2.210 2.050 -15.508 1.00 0.00 H new ATOM 0 HB2 PHE A 234 0.285 3.229 -15.610 1.00 0.00 H new ATOM 0 HB3 PHE A 234 -0.422 1.669 -15.979 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.417 3.811 -13.027 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -2.238 0.946 -14.727 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.057 4.021 -11.075 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -3.715 1.156 -12.776 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.126 2.695 -10.947 1.00 0.00 H new ATOM 83 N LEU A 235 1.337 0.783 -12.612 1.00 0.00 N ATOM 84 CA LEU A 235 1.637 0.809 -11.185 1.00 0.00 C ATOM 85 C LEU A 235 3.135 0.642 -10.954 1.00 0.00 C ATOM 86 O LEU A 235 3.737 1.364 -10.161 1.00 0.00 O ATOM 87 CB LEU A 235 0.872 -0.297 -10.454 1.00 0.00 C ATOM 88 CG LEU A 235 -0.562 0.054 -10.057 1.00 0.00 C ATOM 89 CD1 LEU A 235 -1.508 -0.163 -11.227 1.00 0.00 C ATOM 90 CD2 LEU A 235 -0.993 -0.778 -8.860 1.00 0.00 C ATOM 0 H LEU A 235 0.737 0.012 -12.904 1.00 0.00 H new ATOM 0 HA LEU A 235 1.323 1.774 -10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 235 0.849 -1.182 -11.090 1.00 0.00 H new ATOM 0 HB3 LEU A 235 1.425 -0.565 -9.554 1.00 0.00 H new ATOM 0 HG LEU A 235 -0.599 1.108 -9.780 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -2.524 0.092 -10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -1.207 0.471 -12.061 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -1.472 -1.208 -11.535 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -2.016 -0.519 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -0.942 -1.836 -9.115 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -0.330 -0.576 -8.019 1.00 0.00 H new ATOM 102 N ARG A 236 3.729 -0.317 -11.659 1.00 0.00 N ATOM 103 CA ARG A 236 5.157 -0.582 -11.541 1.00 0.00 C ATOM 104 C ARG A 236 5.965 0.566 -12.133 1.00 0.00 C ATOM 105 O ARG A 236 7.033 0.912 -11.628 1.00 0.00 O ATOM 106 CB ARG A 236 5.515 -1.892 -12.248 1.00 0.00 C ATOM 107 CG ARG A 236 4.786 -3.104 -11.693 1.00 0.00 C ATOM 108 CD ARG A 236 4.069 -3.875 -12.791 1.00 0.00 C ATOM 109 NE ARG A 236 4.920 -4.084 -13.959 1.00 0.00 N ATOM 110 CZ ARG A 236 4.588 -4.866 -14.981 1.00 0.00 C ATOM 111 NH1 ARG A 236 3.432 -5.513 -14.974 1.00 0.00 N ATOM 112 NH2 ARG A 236 5.414 -5.003 -16.009 1.00 0.00 N ATOM 0 H ARG A 236 3.241 -0.923 -12.318 1.00 0.00 H new ATOM 0 HA ARG A 236 5.402 -0.673 -10.483 1.00 0.00 H new ATOM 0 HB2 ARG A 236 5.286 -1.796 -13.309 1.00 0.00 H new ATOM 0 HB3 ARG A 236 6.589 -2.057 -12.167 1.00 0.00 H new ATOM 0 HG2 ARG A 236 5.498 -3.760 -11.192 1.00 0.00 H new ATOM 0 HG3 ARG A 236 4.064 -2.783 -10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 236 3.743 -4.840 -12.403 1.00 0.00 H new ATOM 0 HD3 ARG A 236 3.172 -3.332 -13.089 1.00 0.00 H new ATOM 0 HE ARG A 236 5.819 -3.603 -13.992 1.00 0.00 H new ATOM 0 HH11 ARG A 236 2.795 -5.411 -14.184 1.00 0.00 H new ATOM 0 HH12 ARG A 236 3.179 -6.113 -15.759 1.00 0.00 H new ATOM 0 HH21 ARG A 236 6.306 -4.508 -16.016 1.00 0.00 H new ATOM 0 HH22 ARG A 236 5.158 -5.604 -16.793 1.00 0.00 H new ATOM 126 N ASP A 237 5.444 1.152 -13.205 1.00 0.00 N ATOM 127 CA ASP A 237 6.113 2.265 -13.868 1.00 0.00 C ATOM 128 C ASP A 237 5.921 3.557 -13.084 1.00 0.00 C ATOM 129 O ASP A 237 6.872 4.302 -12.851 1.00 0.00 O ATOM 130 CB ASP A 237 5.578 2.433 -15.292 1.00 0.00 C ATOM 131 CG ASP A 237 6.675 2.358 -16.335 1.00 0.00 C ATOM 132 OD1 ASP A 237 7.766 1.840 -16.014 1.00 0.00 O ATOM 133 OD2 ASP A 237 6.445 2.817 -17.474 1.00 0.00 O ATOM 0 H ASP A 237 4.561 0.875 -13.633 1.00 0.00 H new ATOM 0 HA ASP A 237 7.179 2.043 -13.912 1.00 0.00 H new ATOM 0 HB2 ASP A 237 4.837 1.659 -15.492 1.00 0.00 H new ATOM 0 HB3 ASP A 237 5.067 3.392 -15.374 1.00 0.00 H new ATOM 138 N GLN A 238 4.682 3.817 -12.680 1.00 0.00 N ATOM 139 CA GLN A 238 4.361 5.020 -11.918 1.00 0.00 C ATOM 140 C GLN A 238 4.758 4.861 -10.455 1.00 0.00 C ATOM 141 O GLN A 238 4.864 3.744 -9.947 1.00 0.00 O ATOM 142 CB GLN A 238 2.867 5.331 -12.022 1.00 0.00 C ATOM 143 CG GLN A 238 2.481 6.034 -13.314 1.00 0.00 C ATOM 144 CD GLN A 238 1.808 7.370 -13.070 1.00 0.00 C ATOM 145 OE1 GLN A 238 2.464 8.360 -12.745 1.00 0.00 O ATOM 146 NE2 GLN A 238 0.489 7.405 -13.226 1.00 0.00 N ATOM 0 H GLN A 238 3.883 3.211 -12.867 1.00 0.00 H new ATOM 0 HA GLN A 238 4.929 5.849 -12.341 1.00 0.00 H new ATOM 0 HB2 GLN A 238 2.304 4.401 -11.942 1.00 0.00 H new ATOM 0 HB3 GLN A 238 2.574 5.955 -11.177 1.00 0.00 H new ATOM 0 HG2 GLN A 238 3.373 6.186 -13.922 1.00 0.00 H new ATOM 0 HG3 GLN A 238 1.811 5.393 -13.887 1.00 0.00 H new ATOM 0 HE21 GLN A 238 -0.015 6.561 -13.496 1.00 0.00 H new ATOM 0 HE22 GLN A 238 -0.019 8.276 -13.075 1.00 0.00 H new ATOM 155 N PRO A 239 4.983 5.983 -9.757 1.00 0.00 N ATOM 156 CA PRO A 239 5.370 5.976 -8.344 1.00 0.00 C ATOM 157 C PRO A 239 4.198 5.658 -7.422 1.00 0.00 C ATOM 158 O PRO A 239 3.948 6.372 -6.451 1.00 0.00 O ATOM 159 CB PRO A 239 5.858 7.404 -8.111 1.00 0.00 C ATOM 160 CG PRO A 239 5.085 8.225 -9.084 1.00 0.00 C ATOM 161 CD PRO A 239 4.877 7.352 -10.295 1.00 0.00 C ATOM 0 HA PRO A 239 6.116 5.211 -8.127 1.00 0.00 H new ATOM 0 HB2 PRO A 239 5.673 7.725 -7.086 1.00 0.00 H new ATOM 0 HB3 PRO A 239 6.931 7.490 -8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 239 4.131 8.536 -8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 239 5.628 9.133 -9.347 1.00 0.00 H new ATOM 0 HD2 PRO A 239 3.904 7.528 -10.754 1.00 0.00 H new ATOM 0 HD3 PRO A 239 5.630 7.542 -11.060 1.00 0.00 H new ATOM 169 N GLN A 240 3.482 4.582 -7.730 1.00 0.00 N ATOM 170 CA GLN A 240 2.337 4.171 -6.927 1.00 0.00 C ATOM 171 C GLN A 240 2.793 3.568 -5.602 1.00 0.00 C ATOM 172 O GLN A 240 2.412 4.038 -4.532 1.00 0.00 O ATOM 173 CB GLN A 240 1.483 3.159 -7.695 1.00 0.00 C ATOM 174 CG GLN A 240 0.756 3.758 -8.888 1.00 0.00 C ATOM 175 CD GLN A 240 0.295 5.180 -8.638 1.00 0.00 C ATOM 176 OE1 GLN A 240 1.210 6.132 -8.780 1.00 0.00 O flip ATOM 177 NE2 GLN A 240 -0.870 5.422 -8.320 1.00 0.00 N flip ATOM 0 H GLN A 240 3.675 3.979 -8.530 1.00 0.00 H new ATOM 0 HA GLN A 240 1.736 5.055 -6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 240 2.121 2.345 -8.040 1.00 0.00 H new ATOM 0 HB3 GLN A 240 0.751 2.724 -7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 240 1.415 3.741 -9.756 1.00 0.00 H new ATOM 0 HG3 GLN A 240 -0.107 3.138 -9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 240 -1.541 4.660 -8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 240 -1.164 6.385 -8.155 1.00 0.00 H new ATOM 186 N PHE A 241 3.610 2.525 -5.684 1.00 0.00 N ATOM 187 CA PHE A 241 4.117 1.857 -4.491 1.00 0.00 C ATOM 188 C PHE A 241 4.618 2.872 -3.466 1.00 0.00 C ATOM 189 O PHE A 241 4.326 2.762 -2.275 1.00 0.00 O ATOM 190 CB PHE A 241 5.244 0.892 -4.861 1.00 0.00 C ATOM 191 CG PHE A 241 5.984 1.288 -6.106 1.00 0.00 C ATOM 192 CD1 PHE A 241 7.071 2.145 -6.038 1.00 0.00 C ATOM 193 CD2 PHE A 241 5.591 0.805 -7.343 1.00 0.00 C ATOM 194 CE1 PHE A 241 7.752 2.513 -7.181 1.00 0.00 C ATOM 195 CE2 PHE A 241 6.269 1.168 -8.490 1.00 0.00 C ATOM 196 CZ PHE A 241 7.350 2.024 -8.409 1.00 0.00 C ATOM 0 H PHE A 241 3.936 2.123 -6.563 1.00 0.00 H new ATOM 0 HA PHE A 241 3.296 1.294 -4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 241 5.949 0.833 -4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 241 4.828 -0.106 -4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 241 7.389 2.529 -5.080 1.00 0.00 H new ATOM 0 HD2 PHE A 241 4.745 0.137 -7.411 1.00 0.00 H new ATOM 0 HE1 PHE A 241 8.597 3.182 -7.115 1.00 0.00 H new ATOM 0 HE2 PHE A 241 5.954 0.783 -9.449 1.00 0.00 H new ATOM 0 HZ PHE A 241 7.881 2.311 -9.305 1.00 0.00 H new ATOM 206 N GLN A 242 5.373 3.859 -3.938 1.00 0.00 N ATOM 207 CA GLN A 242 5.915 4.891 -3.056 1.00 0.00 C ATOM 208 C GLN A 242 4.840 5.904 -2.671 1.00 0.00 C ATOM 209 O GLN A 242 4.466 6.003 -1.503 1.00 0.00 O ATOM 210 CB GLN A 242 7.101 5.610 -3.711 1.00 0.00 C ATOM 211 CG GLN A 242 7.087 5.580 -5.232 1.00 0.00 C ATOM 212 CD GLN A 242 8.200 6.412 -5.841 1.00 0.00 C ATOM 213 OE1 GLN A 242 8.070 7.626 -5.995 1.00 0.00 O ATOM 214 NE2 GLN A 242 9.303 5.760 -6.190 1.00 0.00 N ATOM 0 H GLN A 242 5.623 3.967 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 242 6.266 4.395 -2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 242 7.110 6.648 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 242 8.027 5.155 -3.358 1.00 0.00 H new ATOM 0 HG2 GLN A 242 7.181 4.549 -5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 242 6.125 5.948 -5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 242 9.368 4.753 -6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 242 10.086 6.267 -6.604 1.00 0.00 H new ATOM 223 N ASN A 243 4.349 6.654 -3.658 1.00 0.00 N ATOM 224 CA ASN A 243 3.317 7.662 -3.420 1.00 0.00 C ATOM 225 C ASN A 243 2.382 7.228 -2.296 1.00 0.00 C ATOM 226 O ASN A 243 2.069 8.007 -1.392 1.00 0.00 O ATOM 227 CB ASN A 243 2.514 7.910 -4.698 1.00 0.00 C ATOM 228 CG ASN A 243 1.461 8.986 -4.521 1.00 0.00 C ATOM 229 OD1 ASN A 243 1.749 10.177 -4.636 1.00 0.00 O ATOM 230 ND2 ASN A 243 0.232 8.570 -4.237 1.00 0.00 N ATOM 0 H ASN A 243 4.650 6.582 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 243 3.810 8.588 -3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 243 3.193 8.199 -5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 243 2.033 6.982 -5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 243 -0.518 9.248 -4.105 1.00 0.00 H new ATOM 0 HD22 ASN A 243 0.038 7.572 -4.151 1.00 0.00 H new ATOM 237 N MET A 244 1.950 5.975 -2.350 1.00 0.00 N ATOM 238 CA MET A 244 1.062 5.431 -1.334 1.00 0.00 C ATOM 239 C MET A 244 1.811 5.238 -0.022 1.00 0.00 C ATOM 240 O MET A 244 1.465 5.833 0.997 1.00 0.00 O ATOM 241 CB MET A 244 0.477 4.097 -1.801 1.00 0.00 C ATOM 242 CG MET A 244 -0.027 4.127 -3.234 1.00 0.00 C ATOM 243 SD MET A 244 -0.013 2.500 -4.012 1.00 0.00 S ATOM 244 CE MET A 244 -1.128 2.774 -5.386 1.00 0.00 C ATOM 0 H MET A 244 2.201 5.317 -3.088 1.00 0.00 H new ATOM 0 HA MET A 244 0.248 6.138 -1.173 1.00 0.00 H new ATOM 0 HB2 MET A 244 1.238 3.323 -1.708 1.00 0.00 H new ATOM 0 HB3 MET A 244 -0.344 3.818 -1.141 1.00 0.00 H new ATOM 0 HG2 MET A 244 -1.042 4.524 -3.249 1.00 0.00 H new ATOM 0 HG3 MET A 244 0.591 4.809 -3.818 1.00 0.00 H new ATOM 0 HE1 MET A 244 -0.867 2.105 -6.206 1.00 0.00 H new ATOM 0 HE2 MET A 244 -2.152 2.577 -5.069 1.00 0.00 H new ATOM 0 HE3 MET A 244 -1.045 3.808 -5.721 1.00 0.00 H new ATOM 254 N ARG A 245 2.839 4.397 -0.058 1.00 0.00 N ATOM 255 CA ARG A 245 3.639 4.111 1.126 1.00 0.00 C ATOM 256 C ARG A 245 4.006 5.387 1.879 1.00 0.00 C ATOM 257 O ARG A 245 4.137 5.368 3.098 1.00 0.00 O ATOM 258 CB ARG A 245 4.910 3.347 0.738 1.00 0.00 C ATOM 259 CG ARG A 245 6.106 4.243 0.445 1.00 0.00 C ATOM 260 CD ARG A 245 7.321 3.433 0.024 1.00 0.00 C ATOM 261 NE ARG A 245 8.572 4.064 0.434 1.00 0.00 N ATOM 262 CZ ARG A 245 8.991 5.241 -0.020 1.00 0.00 C ATOM 263 NH1 ARG A 245 8.258 5.919 -0.893 1.00 0.00 N ATOM 264 NH2 ARG A 245 10.144 5.743 0.400 1.00 0.00 N ATOM 0 H ARG A 245 3.138 3.900 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 245 3.035 3.492 1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 245 5.171 2.663 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 245 4.701 2.738 -0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 245 5.848 4.949 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 245 6.348 4.829 1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 245 7.259 2.435 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 245 7.316 3.309 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 245 9.159 3.573 1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 245 7.370 5.538 -1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 245 8.583 6.822 -1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 245 10.711 5.226 1.072 1.00 0.00 H new ATOM 0 HH22 ARG A 245 10.464 6.646 0.051 1.00 0.00 H new ATOM 278 N GLN A 246 4.181 6.490 1.156 1.00 0.00 N ATOM 279 CA GLN A 246 4.542 7.755 1.793 1.00 0.00 C ATOM 280 C GLN A 246 3.343 8.382 2.498 1.00 0.00 C ATOM 281 O GLN A 246 3.417 8.715 3.682 1.00 0.00 O ATOM 282 CB GLN A 246 5.134 8.735 0.775 1.00 0.00 C ATOM 283 CG GLN A 246 4.275 8.938 -0.460 1.00 0.00 C ATOM 284 CD GLN A 246 4.920 9.861 -1.474 1.00 0.00 C ATOM 285 OE1 GLN A 246 5.801 9.308 -2.301 1.00 0.00 O flip ATOM 286 NE2 GLN A 246 4.631 11.057 -1.514 1.00 0.00 N flip ATOM 0 H GLN A 246 4.081 6.535 0.142 1.00 0.00 H new ATOM 0 HA GLN A 246 5.302 7.537 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 246 5.287 9.699 1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 246 6.115 8.374 0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 246 4.081 7.972 -0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 246 3.310 9.348 -0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 246 3.949 11.439 -0.859 1.00 0.00 H new ATOM 0 HE22 GLN A 246 5.074 11.666 -2.202 1.00 0.00 H new ATOM 295 N VAL A 247 2.235 8.539 1.777 1.00 0.00 N ATOM 296 CA VAL A 247 1.035 9.125 2.364 1.00 0.00 C ATOM 297 C VAL A 247 0.608 8.342 3.603 1.00 0.00 C ATOM 298 O VAL A 247 0.296 8.923 4.644 1.00 0.00 O ATOM 299 CB VAL A 247 -0.131 9.172 1.351 1.00 0.00 C ATOM 300 CG1 VAL A 247 0.377 9.565 -0.027 1.00 0.00 C ATOM 301 CG2 VAL A 247 -0.862 7.837 1.294 1.00 0.00 C ATOM 0 H VAL A 247 2.144 8.272 0.797 1.00 0.00 H new ATOM 0 HA VAL A 247 1.280 10.148 2.649 1.00 0.00 H new ATOM 0 HB VAL A 247 -0.841 9.928 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -0.457 9.593 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 247 0.842 10.550 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 247 1.111 8.834 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -1.677 7.899 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -0.167 7.054 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -1.265 7.601 2.279 1.00 0.00 H new ATOM 311 N ILE A 248 0.603 7.020 3.478 1.00 0.00 N ATOM 312 CA ILE A 248 0.224 6.141 4.573 1.00 0.00 C ATOM 313 C ILE A 248 1.337 6.038 5.611 1.00 0.00 C ATOM 314 O ILE A 248 1.071 5.950 6.809 1.00 0.00 O ATOM 315 CB ILE A 248 -0.139 4.732 4.061 1.00 0.00 C ATOM 316 CG1 ILE A 248 0.960 4.190 3.129 1.00 0.00 C ATOM 317 CG2 ILE A 248 -1.494 4.771 3.364 1.00 0.00 C ATOM 318 CD1 ILE A 248 0.448 3.621 1.816 1.00 0.00 C ATOM 0 H ILE A 248 0.860 6.532 2.620 1.00 0.00 H new ATOM 0 HA ILE A 248 -0.656 6.580 5.044 1.00 0.00 H new ATOM 0 HB ILE A 248 -0.209 4.051 4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 248 1.664 4.993 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 248 1.515 3.413 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 248 -1.747 3.774 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 248 -2.256 5.106 4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 248 -1.450 5.461 2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 248 1.289 3.262 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 248 -0.232 2.794 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 248 -0.081 4.398 1.264 1.00 0.00 H new ATOM 330 N GLN A 249 2.587 6.063 5.152 1.00 0.00 N ATOM 331 CA GLN A 249 3.726 5.984 6.060 1.00 0.00 C ATOM 332 C GLN A 249 3.565 6.999 7.180 1.00 0.00 C ATOM 333 O GLN A 249 3.382 6.634 8.342 1.00 0.00 O ATOM 334 CB GLN A 249 5.039 6.235 5.314 1.00 0.00 C ATOM 335 CG GLN A 249 6.180 6.676 6.215 1.00 0.00 C ATOM 336 CD GLN A 249 6.608 5.592 7.185 1.00 0.00 C ATOM 337 OE1 GLN A 249 5.898 4.608 7.386 1.00 0.00 O ATOM 338 NE2 GLN A 249 7.776 5.768 7.791 1.00 0.00 N ATOM 0 H GLN A 249 2.834 6.137 4.165 1.00 0.00 H new ATOM 0 HA GLN A 249 3.759 4.980 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 249 5.331 5.323 4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 249 4.874 6.997 4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 249 7.032 6.966 5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 249 5.875 7.560 6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 249 8.332 6.600 7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 249 8.117 5.071 8.453 1.00 0.00 H new ATOM 347 N GLN A 250 3.606 8.275 6.819 1.00 0.00 N ATOM 348 CA GLN A 250 3.435 9.339 7.793 1.00 0.00 C ATOM 349 C GLN A 250 1.974 9.402 8.208 1.00 0.00 C ATOM 350 O GLN A 250 1.649 9.375 9.395 1.00 0.00 O ATOM 351 CB GLN A 250 3.877 10.683 7.209 1.00 0.00 C ATOM 352 CG GLN A 250 5.374 10.777 6.965 1.00 0.00 C ATOM 353 CD GLN A 250 5.715 11.646 5.770 1.00 0.00 C ATOM 354 OE1 GLN A 250 6.527 11.268 4.925 1.00 0.00 O ATOM 355 NE2 GLN A 250 5.095 12.817 5.694 1.00 0.00 N ATOM 0 H GLN A 250 3.756 8.595 5.862 1.00 0.00 H new ATOM 0 HA GLN A 250 4.055 9.130 8.664 1.00 0.00 H new ATOM 0 HB2 GLN A 250 3.353 10.851 6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 250 3.577 11.481 7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 250 5.859 11.181 7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 250 5.777 9.776 6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 250 4.429 13.090 6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 250 5.284 13.444 4.912 1.00 0.00 H new ATOM 364 N ASN A 251 1.099 9.461 7.211 1.00 0.00 N ATOM 365 CA ASN A 251 -0.335 9.497 7.439 1.00 0.00 C ATOM 366 C ASN A 251 -0.965 8.116 7.239 1.00 0.00 C ATOM 367 O ASN A 251 -1.749 7.927 6.310 1.00 0.00 O ATOM 368 CB ASN A 251 -0.995 10.509 6.502 1.00 0.00 C ATOM 369 CG ASN A 251 -2.198 11.183 7.132 1.00 0.00 C ATOM 370 OD1 ASN A 251 -2.947 10.431 7.930 1.00 0.00 O flip ATOM 371 ND2 ASN A 251 -2.451 12.366 6.905 1.00 0.00 N flip ATOM 0 H ASN A 251 1.365 9.485 6.227 1.00 0.00 H new ATOM 0 HA ASN A 251 -0.500 9.801 8.473 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -0.265 11.267 6.218 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -1.303 10.005 5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -1.848 12.907 6.285 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -3.264 12.806 7.337 1.00 0.00 H new ATOM 378 N PRO A 252 -0.655 7.126 8.100 1.00 0.00 N ATOM 379 CA PRO A 252 -1.226 5.777 7.983 1.00 0.00 C ATOM 380 C PRO A 252 -2.661 5.709 8.500 1.00 0.00 C ATOM 381 O PRO A 252 -3.104 4.674 8.996 1.00 0.00 O ATOM 382 CB PRO A 252 -0.312 4.947 8.880 1.00 0.00 C ATOM 383 CG PRO A 252 0.111 5.900 9.940 1.00 0.00 C ATOM 384 CD PRO A 252 0.262 7.231 9.251 1.00 0.00 C ATOM 0 HA PRO A 252 -1.275 5.438 6.948 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -0.837 4.089 9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 252 0.544 4.558 8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -0.630 5.953 10.738 1.00 0.00 H new ATOM 0 HG3 PRO A 252 1.050 5.587 10.397 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -0.011 8.057 9.908 1.00 0.00 H new ATOM 0 HD3 PRO A 252 1.290 7.404 8.932 1.00 0.00 H new ATOM 392 N ALA A 253 -3.380 6.822 8.389 1.00 0.00 N ATOM 393 CA ALA A 253 -4.758 6.895 8.856 1.00 0.00 C ATOM 394 C ALA A 253 -5.732 6.374 7.808 1.00 0.00 C ATOM 395 O ALA A 253 -6.630 5.590 8.114 1.00 0.00 O ATOM 396 CB ALA A 253 -5.124 8.319 9.246 1.00 0.00 C ATOM 0 H ALA A 253 -3.029 7.687 7.978 1.00 0.00 H new ATOM 0 HA ALA A 253 -4.835 6.258 9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 253 -6.157 8.347 9.591 1.00 0.00 H new ATOM 0 HB2 ALA A 253 -4.465 8.658 10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 253 -5.012 8.973 8.381 1.00 0.00 H new ATOM 402 N LEU A 254 -5.552 6.818 6.570 1.00 0.00 N ATOM 403 CA LEU A 254 -6.417 6.402 5.476 1.00 0.00 C ATOM 404 C LEU A 254 -5.895 5.127 4.835 1.00 0.00 C ATOM 405 O LEU A 254 -6.429 4.664 3.826 1.00 0.00 O ATOM 406 CB LEU A 254 -6.522 7.510 4.427 1.00 0.00 C ATOM 407 CG LEU A 254 -6.984 8.866 4.962 1.00 0.00 C ATOM 408 CD1 LEU A 254 -8.119 8.687 5.959 1.00 0.00 C ATOM 409 CD2 LEU A 254 -5.821 9.609 5.603 1.00 0.00 C ATOM 0 H LEU A 254 -4.813 7.467 6.300 1.00 0.00 H new ATOM 0 HA LEU A 254 -7.409 6.207 5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 254 -5.548 7.636 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 254 -7.214 7.188 3.649 1.00 0.00 H new ATOM 0 HG LEU A 254 -7.353 9.460 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 254 -8.435 9.662 6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 254 -8.959 8.195 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 254 -7.777 8.075 6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 254 -6.167 10.572 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 254 -5.423 9.019 6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 254 -5.038 9.769 4.861 1.00 0.00 H new ATOM 421 N LEU A 255 -4.838 4.572 5.416 1.00 0.00 N ATOM 422 CA LEU A 255 -4.235 3.364 4.886 1.00 0.00 C ATOM 423 C LEU A 255 -3.998 3.514 3.393 1.00 0.00 C ATOM 424 O LEU A 255 -4.349 4.528 2.791 1.00 0.00 O ATOM 425 CB LEU A 255 -5.118 2.142 5.171 1.00 0.00 C ATOM 426 CG LEU A 255 -6.170 1.812 4.104 1.00 0.00 C ATOM 427 CD1 LEU A 255 -6.063 0.356 3.679 1.00 0.00 C ATOM 428 CD2 LEU A 255 -7.564 2.112 4.630 1.00 0.00 C ATOM 0 H LEU A 255 -4.385 4.941 6.252 1.00 0.00 H new ATOM 0 HA LEU A 255 -3.277 3.209 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 255 -4.472 1.273 5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 255 -5.629 2.301 6.121 1.00 0.00 H new ATOM 0 HG LEU A 255 -5.985 2.437 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -6.817 0.142 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -5.072 0.169 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -6.223 -0.288 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -8.301 1.874 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -7.756 1.509 5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -7.636 3.169 4.887 1.00 0.00 H new ATOM 440 N PRO A 256 -3.391 2.502 2.779 1.00 0.00 N ATOM 441 CA PRO A 256 -3.092 2.504 1.349 1.00 0.00 C ATOM 442 C PRO A 256 -4.362 2.444 0.507 1.00 0.00 C ATOM 443 O PRO A 256 -4.524 1.558 -0.331 1.00 0.00 O ATOM 444 CB PRO A 256 -2.242 1.240 1.149 1.00 0.00 C ATOM 445 CG PRO A 256 -1.856 0.796 2.525 1.00 0.00 C ATOM 446 CD PRO A 256 -2.943 1.279 3.439 1.00 0.00 C ATOM 0 HA PRO A 256 -2.581 3.415 1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 256 -2.807 0.465 0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 256 -1.361 1.451 0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 256 -1.761 -0.289 2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 256 -0.891 1.213 2.813 1.00 0.00 H new ATOM 0 HD2 PRO A 256 -3.748 0.550 3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 256 -2.571 1.474 4.445 1.00 0.00 H new ATOM 454 N ALA A 257 -5.262 3.398 0.740 1.00 0.00 N ATOM 455 CA ALA A 257 -6.519 3.462 0.009 1.00 0.00 C ATOM 456 C ALA A 257 -6.271 3.432 -1.491 1.00 0.00 C ATOM 457 O ALA A 257 -7.075 2.895 -2.253 1.00 0.00 O ATOM 458 CB ALA A 257 -7.308 4.705 0.389 1.00 0.00 C ATOM 0 H ALA A 257 -5.140 4.137 1.432 1.00 0.00 H new ATOM 0 HA ALA A 257 -7.109 2.587 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -8.243 4.728 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -7.526 4.685 1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -6.722 5.594 0.154 1.00 0.00 H new ATOM 464 N LEU A 258 -5.150 4.007 -1.910 1.00 0.00 N ATOM 465 CA LEU A 258 -4.799 4.037 -3.321 1.00 0.00 C ATOM 466 C LEU A 258 -5.044 2.670 -3.949 1.00 0.00 C ATOM 467 O LEU A 258 -5.509 2.565 -5.085 1.00 0.00 O ATOM 468 CB LEU A 258 -3.339 4.447 -3.498 1.00 0.00 C ATOM 469 CG LEU A 258 -2.958 5.777 -2.845 1.00 0.00 C ATOM 470 CD1 LEU A 258 -4.145 6.728 -2.840 1.00 0.00 C ATOM 471 CD2 LEU A 258 -2.451 5.547 -1.429 1.00 0.00 C ATOM 0 H LEU A 258 -4.472 4.456 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 258 -5.427 4.773 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -2.704 3.662 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -3.121 4.507 -4.564 1.00 0.00 H new ATOM 0 HG LEU A 258 -2.157 6.232 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -3.856 7.669 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -4.465 6.916 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -4.967 6.282 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -2.184 6.503 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -3.232 5.072 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -1.573 4.902 -1.457 1.00 0.00 H new ATOM 483 N LEU A 259 -4.741 1.625 -3.188 1.00 0.00 N ATOM 484 CA LEU A 259 -4.939 0.259 -3.648 1.00 0.00 C ATOM 485 C LEU A 259 -6.424 -0.019 -3.821 1.00 0.00 C ATOM 486 O LEU A 259 -6.835 -0.740 -4.732 1.00 0.00 O ATOM 487 CB LEU A 259 -4.335 -0.727 -2.644 1.00 0.00 C ATOM 488 CG LEU A 259 -3.865 -2.063 -3.228 1.00 0.00 C ATOM 489 CD1 LEU A 259 -4.077 -3.182 -2.221 1.00 0.00 C ATOM 490 CD2 LEU A 259 -4.592 -2.374 -4.529 1.00 0.00 C ATOM 0 H LEU A 259 -4.356 1.700 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 259 -4.440 0.133 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 259 -3.487 -0.246 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 259 -5.076 -0.930 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 259 -2.800 -1.984 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 259 -3.739 -4.126 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 259 -3.508 -2.970 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 259 -5.136 -3.254 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 259 -4.240 -3.327 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 259 -5.664 -2.432 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 259 -4.393 -1.586 -5.255 1.00 0.00 H new ATOM 502 N GLN A 260 -7.227 0.569 -2.941 1.00 0.00 N ATOM 503 CA GLN A 260 -8.672 0.399 -2.989 1.00 0.00 C ATOM 504 C GLN A 260 -9.228 0.926 -4.306 1.00 0.00 C ATOM 505 O GLN A 260 -10.092 0.302 -4.918 1.00 0.00 O ATOM 506 CB GLN A 260 -9.333 1.122 -1.815 1.00 0.00 C ATOM 507 CG GLN A 260 -10.585 0.432 -1.303 1.00 0.00 C ATOM 508 CD GLN A 260 -10.546 0.186 0.193 1.00 0.00 C ATOM 509 OE1 GLN A 260 -9.793 0.833 0.921 1.00 0.00 O ATOM 510 NE2 GLN A 260 -11.359 -0.755 0.659 1.00 0.00 N ATOM 0 H GLN A 260 -6.899 1.169 -2.184 1.00 0.00 H new ATOM 0 HA GLN A 260 -8.894 -0.666 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 260 -8.615 1.205 -0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 260 -9.587 2.137 -2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 260 -11.456 1.042 -1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 260 -10.708 -0.519 -1.821 1.00 0.00 H new ATOM 0 HE21 GLN A 260 -11.966 -1.267 0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 260 -11.376 -0.966 1.657 1.00 0.00 H new ATOM 519 N GLN A 261 -8.718 2.073 -4.742 1.00 0.00 N ATOM 520 CA GLN A 261 -9.158 2.675 -5.993 1.00 0.00 C ATOM 521 C GLN A 261 -8.714 1.821 -7.171 1.00 0.00 C ATOM 522 O GLN A 261 -9.422 1.704 -8.172 1.00 0.00 O ATOM 523 CB GLN A 261 -8.599 4.093 -6.130 1.00 0.00 C ATOM 524 CG GLN A 261 -9.426 4.988 -7.037 1.00 0.00 C ATOM 525 CD GLN A 261 -10.402 5.855 -6.266 1.00 0.00 C ATOM 526 OE1 GLN A 261 -10.991 5.292 -5.218 1.00 0.00 O flip ATOM 527 NE2 GLN A 261 -10.625 7.016 -6.609 1.00 0.00 N flip ATOM 0 H GLN A 261 -8.000 2.603 -4.247 1.00 0.00 H new ATOM 0 HA GLN A 261 -10.247 2.730 -5.987 1.00 0.00 H new ATOM 0 HB2 GLN A 261 -8.539 4.548 -5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 261 -7.582 4.038 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 261 -8.760 5.626 -7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 261 -9.976 4.371 -7.747 1.00 0.00 H new ATOM 0 HE21 GLN A 261 -10.149 7.408 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 261 -11.285 7.586 -6.081 1.00 0.00 H new ATOM 536 N LEU A 262 -7.535 1.222 -7.041 1.00 0.00 N ATOM 537 CA LEU A 262 -6.988 0.370 -8.090 1.00 0.00 C ATOM 538 C LEU A 262 -7.772 -0.936 -8.191 1.00 0.00 C ATOM 539 O LEU A 262 -8.215 -1.325 -9.272 1.00 0.00 O ATOM 540 CB LEU A 262 -5.513 0.074 -7.815 1.00 0.00 C ATOM 541 CG LEU A 262 -4.532 1.105 -8.375 1.00 0.00 C ATOM 542 CD1 LEU A 262 -5.003 2.516 -8.063 1.00 0.00 C ATOM 543 CD2 LEU A 262 -3.137 0.870 -7.814 1.00 0.00 C ATOM 0 H LEU A 262 -6.939 1.311 -6.218 1.00 0.00 H new ATOM 0 HA LEU A 262 -7.074 0.899 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -5.367 0.004 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -5.269 -0.902 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 262 -4.492 0.990 -9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -4.292 3.235 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -5.982 2.680 -8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -5.073 2.646 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -2.451 1.612 -8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -3.162 0.958 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -2.798 -0.128 -8.089 1.00 0.00 H new ATOM 555 N GLY A 263 -7.942 -1.608 -7.056 1.00 0.00 N ATOM 556 CA GLY A 263 -8.672 -2.863 -7.038 1.00 0.00 C ATOM 557 C GLY A 263 -10.163 -2.668 -7.221 1.00 0.00 C ATOM 558 O GLY A 263 -10.858 -3.559 -7.712 1.00 0.00 O ATOM 0 H GLY A 263 -7.587 -1.306 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 263 -8.294 -3.511 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 263 -8.489 -3.373 -6.092 1.00 0.00 H new ATOM 562 N GLN A 264 -10.657 -1.498 -6.832 1.00 0.00 N ATOM 563 CA GLN A 264 -12.076 -1.187 -6.961 1.00 0.00 C ATOM 564 C GLN A 264 -12.384 -0.710 -8.372 1.00 0.00 C ATOM 565 O GLN A 264 -13.258 -1.253 -9.048 1.00 0.00 O ATOM 566 CB GLN A 264 -12.487 -0.119 -5.946 1.00 0.00 C ATOM 567 CG GLN A 264 -12.460 -0.605 -4.506 1.00 0.00 C ATOM 568 CD GLN A 264 -13.849 -0.788 -3.927 1.00 0.00 C ATOM 569 OE1 GLN A 264 -14.838 -0.333 -4.500 1.00 0.00 O ATOM 570 NE2 GLN A 264 -13.929 -1.456 -2.782 1.00 0.00 N ATOM 0 H GLN A 264 -10.096 -0.749 -6.425 1.00 0.00 H new ATOM 0 HA GLN A 264 -12.646 -2.094 -6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -11.821 0.738 -6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -13.492 0.229 -6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -11.922 -1.552 -4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -11.907 0.109 -3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -13.082 -1.816 -2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -14.837 -1.609 -2.343 1.00 0.00 H new ATOM 579 N GLU A 265 -11.650 0.305 -8.816 1.00 0.00 N ATOM 580 CA GLU A 265 -11.836 0.848 -10.152 1.00 0.00 C ATOM 581 C GLU A 265 -12.119 -0.276 -11.138 1.00 0.00 C ATOM 582 O GLU A 265 -13.242 -0.430 -11.618 1.00 0.00 O ATOM 583 CB GLU A 265 -10.590 1.627 -10.583 1.00 0.00 C ATOM 584 CG GLU A 265 -10.425 1.736 -12.091 1.00 0.00 C ATOM 585 CD GLU A 265 -11.742 1.962 -12.807 1.00 0.00 C ATOM 586 OE1 GLU A 265 -12.481 2.887 -12.412 1.00 0.00 O ATOM 587 OE2 GLU A 265 -12.034 1.214 -13.764 1.00 0.00 O ATOM 0 H GLU A 265 -10.923 0.766 -8.269 1.00 0.00 H new ATOM 0 HA GLU A 265 -12.688 1.528 -10.140 1.00 0.00 H new ATOM 0 HB2 GLU A 265 -10.635 2.630 -10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 265 -9.708 1.143 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 265 -9.746 2.557 -12.320 1.00 0.00 H new ATOM 0 HG3 GLU A 265 -9.962 0.824 -12.469 1.00 0.00 H new ATOM 594 N ASN A 266 -11.093 -1.064 -11.427 1.00 0.00 N ATOM 595 CA ASN A 266 -11.229 -2.184 -12.345 1.00 0.00 C ATOM 596 C ASN A 266 -11.295 -3.499 -11.577 1.00 0.00 C ATOM 597 O ASN A 266 -10.314 -3.914 -10.959 1.00 0.00 O ATOM 598 CB ASN A 266 -10.059 -2.211 -13.332 1.00 0.00 C ATOM 599 CG ASN A 266 -10.520 -2.366 -14.768 1.00 0.00 C ATOM 600 OD1 ASN A 266 -11.515 -1.771 -15.181 1.00 0.00 O ATOM 601 ND2 ASN A 266 -9.795 -3.170 -15.537 1.00 0.00 N ATOM 0 H ASN A 266 -10.157 -0.948 -11.038 1.00 0.00 H new ATOM 0 HA ASN A 266 -12.157 -2.058 -12.903 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -9.484 -1.290 -13.235 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -9.390 -3.033 -13.077 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -10.056 -3.314 -16.512 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -8.977 -3.643 -15.152 1.00 0.00 H new ATOM 608 N PRO A 267 -12.451 -4.178 -11.604 1.00 0.00 N ATOM 609 CA PRO A 267 -12.627 -5.452 -10.906 1.00 0.00 C ATOM 610 C PRO A 267 -11.557 -6.461 -11.302 1.00 0.00 C ATOM 611 O PRO A 267 -11.294 -7.424 -10.581 1.00 0.00 O ATOM 612 CB PRO A 267 -14.017 -5.933 -11.350 1.00 0.00 C ATOM 613 CG PRO A 267 -14.387 -5.072 -12.513 1.00 0.00 C ATOM 614 CD PRO A 267 -13.668 -3.770 -12.315 1.00 0.00 C ATOM 0 HA PRO A 267 -12.541 -5.341 -9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -13.996 -6.986 -11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -14.742 -5.834 -10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -14.093 -5.540 -13.453 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -15.465 -4.919 -12.556 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -13.439 -3.285 -13.264 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -14.260 -3.065 -11.732 1.00 0.00 H new ATOM 622 N GLN A 268 -10.937 -6.225 -12.454 1.00 0.00 N ATOM 623 CA GLN A 268 -9.886 -7.102 -12.955 1.00 0.00 C ATOM 624 C GLN A 268 -8.506 -6.574 -12.571 1.00 0.00 C ATOM 625 O GLN A 268 -7.493 -7.237 -12.796 1.00 0.00 O ATOM 626 CB GLN A 268 -9.988 -7.238 -14.475 1.00 0.00 C ATOM 627 CG GLN A 268 -9.569 -8.604 -14.994 1.00 0.00 C ATOM 628 CD GLN A 268 -10.699 -9.328 -15.701 1.00 0.00 C ATOM 629 OE1 GLN A 268 -11.119 -10.406 -15.281 1.00 0.00 O ATOM 630 NE2 GLN A 268 -11.196 -8.736 -16.781 1.00 0.00 N ATOM 0 H GLN A 268 -11.146 -5.431 -13.059 1.00 0.00 H new ATOM 0 HA GLN A 268 -10.019 -8.083 -12.499 1.00 0.00 H new ATOM 0 HB2 GLN A 268 -11.016 -7.042 -14.781 1.00 0.00 H new ATOM 0 HB3 GLN A 268 -9.366 -6.475 -14.942 1.00 0.00 H new ATOM 0 HG2 GLN A 268 -8.731 -8.487 -15.681 1.00 0.00 H new ATOM 0 HG3 GLN A 268 -9.216 -9.213 -14.162 1.00 0.00 H new ATOM 0 HE21 GLN A 268 -10.816 -7.842 -17.093 1.00 0.00 H new ATOM 0 HE22 GLN A 268 -11.957 -9.175 -17.299 1.00 0.00 H new ATOM 639 N LEU A 269 -8.474 -5.375 -11.997 1.00 0.00 N ATOM 640 CA LEU A 269 -7.217 -4.755 -11.591 1.00 0.00 C ATOM 641 C LEU A 269 -6.543 -5.556 -10.483 1.00 0.00 C ATOM 642 O LEU A 269 -5.331 -5.761 -10.506 1.00 0.00 O ATOM 643 CB LEU A 269 -7.458 -3.318 -11.123 1.00 0.00 C ATOM 644 CG LEU A 269 -6.449 -2.294 -11.647 1.00 0.00 C ATOM 645 CD1 LEU A 269 -7.057 -1.473 -12.774 1.00 0.00 C ATOM 646 CD2 LEU A 269 -5.977 -1.387 -10.521 1.00 0.00 C ATOM 0 H LEU A 269 -9.303 -4.814 -11.803 1.00 0.00 H new ATOM 0 HA LEU A 269 -6.555 -4.742 -12.457 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -8.458 -3.013 -11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -7.442 -3.298 -10.033 1.00 0.00 H new ATOM 0 HG LEU A 269 -5.587 -2.832 -12.041 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -6.325 -0.750 -13.134 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -7.346 -2.134 -13.591 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -7.937 -0.945 -12.406 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -5.260 -0.665 -10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -6.831 -0.858 -10.098 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -5.501 -1.987 -9.745 1.00 0.00 H new ATOM 658 N LEU A 270 -7.332 -6.003 -9.514 1.00 0.00 N ATOM 659 CA LEU A 270 -6.803 -6.779 -8.397 1.00 0.00 C ATOM 660 C LEU A 270 -6.155 -8.070 -8.889 1.00 0.00 C ATOM 661 O LEU A 270 -4.973 -8.318 -8.644 1.00 0.00 O ATOM 662 CB LEU A 270 -7.917 -7.100 -7.400 1.00 0.00 C ATOM 663 CG LEU A 270 -7.563 -8.155 -6.351 1.00 0.00 C ATOM 664 CD1 LEU A 270 -7.157 -7.492 -5.044 1.00 0.00 C ATOM 665 CD2 LEU A 270 -8.734 -9.102 -6.132 1.00 0.00 C ATOM 0 H LEU A 270 -8.339 -5.842 -9.478 1.00 0.00 H new ATOM 0 HA LEU A 270 -6.041 -6.180 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -8.201 -6.181 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -8.792 -7.440 -7.954 1.00 0.00 H new ATOM 0 HG LEU A 270 -6.716 -8.736 -6.717 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -6.909 -8.258 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -6.288 -6.856 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -7.983 -6.886 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -8.465 -9.846 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -9.600 -8.537 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -8.977 -9.602 -7.069 1.00 0.00 H new ATOM 677 N GLN A 271 -6.936 -8.889 -9.585 1.00 0.00 N ATOM 678 CA GLN A 271 -6.439 -10.154 -10.112 1.00 0.00 C ATOM 679 C GLN A 271 -5.081 -9.969 -10.781 1.00 0.00 C ATOM 680 O GLN A 271 -4.110 -10.641 -10.435 1.00 0.00 O ATOM 681 CB GLN A 271 -7.436 -10.741 -11.114 1.00 0.00 C ATOM 682 CG GLN A 271 -8.649 -11.381 -10.461 1.00 0.00 C ATOM 683 CD GLN A 271 -8.865 -12.813 -10.911 1.00 0.00 C ATOM 684 OE1 GLN A 271 -7.917 -13.516 -11.261 1.00 0.00 O ATOM 685 NE2 GLN A 271 -10.118 -13.252 -10.906 1.00 0.00 N ATOM 0 H GLN A 271 -7.915 -8.699 -9.797 1.00 0.00 H new ATOM 0 HA GLN A 271 -6.323 -10.845 -9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 271 -7.770 -9.951 -11.786 1.00 0.00 H new ATOM 0 HB3 GLN A 271 -6.927 -11.486 -11.726 1.00 0.00 H new ATOM 0 HG2 GLN A 271 -8.528 -11.359 -9.378 1.00 0.00 H new ATOM 0 HG3 GLN A 271 -9.536 -10.793 -10.695 1.00 0.00 H new ATOM 0 HE21 GLN A 271 -10.873 -12.635 -10.608 1.00 0.00 H new ATOM 0 HE22 GLN A 271 -10.325 -14.206 -11.200 1.00 0.00 H new ATOM 694 N GLN A 272 -5.022 -9.053 -11.741 1.00 0.00 N ATOM 695 CA GLN A 272 -3.785 -8.778 -12.461 1.00 0.00 C ATOM 696 C GLN A 272 -2.720 -8.216 -11.522 1.00 0.00 C ATOM 697 O GLN A 272 -1.598 -8.718 -11.473 1.00 0.00 O ATOM 698 CB GLN A 272 -4.046 -7.798 -13.605 1.00 0.00 C ATOM 699 CG GLN A 272 -4.932 -8.366 -14.701 1.00 0.00 C ATOM 700 CD GLN A 272 -4.745 -9.859 -14.886 1.00 0.00 C ATOM 701 OE1 GLN A 272 -5.243 -10.661 -14.097 1.00 0.00 O ATOM 702 NE2 GLN A 272 -4.024 -10.240 -15.934 1.00 0.00 N ATOM 0 H GLN A 272 -5.817 -8.488 -12.039 1.00 0.00 H new ATOM 0 HA GLN A 272 -3.416 -9.717 -12.874 1.00 0.00 H new ATOM 0 HB2 GLN A 272 -4.511 -6.898 -13.203 1.00 0.00 H new ATOM 0 HB3 GLN A 272 -3.093 -7.497 -14.039 1.00 0.00 H new ATOM 0 HG2 GLN A 272 -5.976 -8.161 -14.462 1.00 0.00 H new ATOM 0 HG3 GLN A 272 -4.714 -7.857 -15.640 1.00 0.00 H new ATOM 0 HE21 GLN A 272 -3.629 -9.541 -16.563 1.00 0.00 H new ATOM 0 HE22 GLN A 272 -3.865 -11.232 -16.110 1.00 0.00 H new ATOM 711 N ILE A 273 -3.082 -7.178 -10.776 1.00 0.00 N ATOM 712 CA ILE A 273 -2.157 -6.556 -9.835 1.00 0.00 C ATOM 713 C ILE A 273 -1.349 -7.619 -9.100 1.00 0.00 C ATOM 714 O ILE A 273 -0.195 -7.395 -8.733 1.00 0.00 O ATOM 715 CB ILE A 273 -2.903 -5.680 -8.806 1.00 0.00 C ATOM 716 CG1 ILE A 273 -3.413 -4.397 -9.465 1.00 0.00 C ATOM 717 CG2 ILE A 273 -2.001 -5.348 -7.626 1.00 0.00 C ATOM 718 CD1 ILE A 273 -4.696 -3.874 -8.857 1.00 0.00 C ATOM 0 H ILE A 273 -4.007 -6.750 -10.804 1.00 0.00 H new ATOM 0 HA ILE A 273 -1.485 -5.920 -10.411 1.00 0.00 H new ATOM 0 HB ILE A 273 -3.759 -6.244 -8.435 1.00 0.00 H new ATOM 0 HG12 ILE A 273 -2.644 -3.628 -9.388 1.00 0.00 H new ATOM 0 HG13 ILE A 273 -3.573 -4.583 -10.527 1.00 0.00 H new ATOM 0 HG21 ILE A 273 -2.547 -4.730 -6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 273 -1.685 -6.270 -7.139 1.00 0.00 H new ATOM 0 HG23 ILE A 273 -1.124 -4.805 -7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 273 -4.998 -2.963 -9.373 1.00 0.00 H new ATOM 0 HD12 ILE A 273 -5.479 -4.625 -8.958 1.00 0.00 H new ATOM 0 HD13 ILE A 273 -4.536 -3.656 -7.801 1.00 0.00 H new ATOM 730 N SER A 274 -1.966 -8.777 -8.891 1.00 0.00 N ATOM 731 CA SER A 274 -1.310 -9.883 -8.203 1.00 0.00 C ATOM 732 C SER A 274 0.116 -10.082 -8.714 1.00 0.00 C ATOM 733 O SER A 274 0.965 -10.626 -8.009 1.00 0.00 O ATOM 734 CB SER A 274 -2.115 -11.170 -8.387 1.00 0.00 C ATOM 735 OG SER A 274 -2.053 -11.980 -7.227 1.00 0.00 O ATOM 0 H SER A 274 -2.921 -8.974 -9.189 1.00 0.00 H new ATOM 0 HA SER A 274 -1.261 -9.638 -7.142 1.00 0.00 H new ATOM 0 HB2 SER A 274 -3.154 -10.924 -8.608 1.00 0.00 H new ATOM 0 HB3 SER A 274 -1.730 -11.725 -9.243 1.00 0.00 H new ATOM 0 HG SER A 274 -2.577 -12.796 -7.369 1.00 0.00 H new ATOM 741 N ARG A 275 0.372 -9.639 -9.942 1.00 0.00 N ATOM 742 CA ARG A 275 1.695 -9.773 -10.539 1.00 0.00 C ATOM 743 C ARG A 275 2.764 -9.178 -9.628 1.00 0.00 C ATOM 744 O ARG A 275 3.384 -9.888 -8.837 1.00 0.00 O ATOM 745 CB ARG A 275 1.736 -9.083 -11.904 1.00 0.00 C ATOM 746 CG ARG A 275 1.457 -10.018 -13.068 1.00 0.00 C ATOM 747 CD ARG A 275 2.446 -11.172 -13.106 1.00 0.00 C ATOM 748 NE ARG A 275 2.269 -12.006 -14.291 1.00 0.00 N ATOM 749 CZ ARG A 275 2.982 -13.101 -14.533 1.00 0.00 C ATOM 750 NH1 ARG A 275 3.914 -13.491 -13.676 1.00 0.00 N ATOM 751 NH2 ARG A 275 2.762 -13.808 -15.634 1.00 0.00 N ATOM 0 H ARG A 275 -0.318 -9.185 -10.541 1.00 0.00 H new ATOM 0 HA ARG A 275 1.900 -10.836 -10.670 1.00 0.00 H new ATOM 0 HB2 ARG A 275 1.005 -8.275 -11.915 1.00 0.00 H new ATOM 0 HB3 ARG A 275 2.717 -8.628 -12.042 1.00 0.00 H new ATOM 0 HG2 ARG A 275 0.443 -10.409 -12.987 1.00 0.00 H new ATOM 0 HG3 ARG A 275 1.510 -9.461 -14.004 1.00 0.00 H new ATOM 0 HD2 ARG A 275 3.462 -10.779 -13.088 1.00 0.00 H new ATOM 0 HD3 ARG A 275 2.325 -11.783 -12.211 1.00 0.00 H new ATOM 0 HE ARG A 275 1.559 -11.733 -14.971 1.00 0.00 H new ATOM 0 HH11 ARG A 275 4.086 -12.950 -12.828 1.00 0.00 H new ATOM 0 HH12 ARG A 275 4.460 -14.332 -13.864 1.00 0.00 H new ATOM 0 HH21 ARG A 275 2.045 -13.511 -16.296 1.00 0.00 H new ATOM 0 HH22 ARG A 275 3.310 -14.648 -15.819 1.00 0.00 H new ATOM 765 N HIS A 276 2.975 -7.872 -9.747 1.00 0.00 N ATOM 766 CA HIS A 276 3.968 -7.183 -8.932 1.00 0.00 C ATOM 767 C HIS A 276 3.403 -6.842 -7.558 1.00 0.00 C ATOM 768 O HIS A 276 3.518 -5.709 -7.092 1.00 0.00 O ATOM 769 CB HIS A 276 4.438 -5.907 -9.633 1.00 0.00 C ATOM 770 CG HIS A 276 5.899 -5.907 -9.958 1.00 0.00 C ATOM 771 ND1 HIS A 276 6.688 -6.867 -10.496 1.00 0.00 N flip ATOM 772 CD2 HIS A 276 6.721 -4.822 -9.729 1.00 0.00 C flip ATOM 773 CE1 HIS A 276 7.957 -6.349 -10.582 1.00 0.00 C flip ATOM 774 NE2 HIS A 276 7.951 -5.115 -10.114 1.00 0.00 N flip ATOM 0 H HIS A 276 2.472 -7.270 -10.399 1.00 0.00 H new ATOM 0 HA HIS A 276 4.819 -7.851 -8.800 1.00 0.00 H new ATOM 0 HB2 HIS A 276 3.869 -5.777 -10.554 1.00 0.00 H new ATOM 0 HB3 HIS A 276 4.215 -5.050 -8.997 1.00 0.00 H new ATOM 0 HD2 HIS A 276 6.408 -3.881 -9.302 1.00 0.00 H new ATOM 0 HE1 HIS A 276 8.821 -6.868 -10.970 1.00 0.00 H new ATOM 0 HE2 HIS A 276 8.758 -4.493 -10.059 1.00 0.00 H new ATOM 783 N GLN A 277 2.792 -7.832 -6.914 1.00 0.00 N ATOM 784 CA GLN A 277 2.209 -7.636 -5.591 1.00 0.00 C ATOM 785 C GLN A 277 3.287 -7.683 -4.514 1.00 0.00 C ATOM 786 O GLN A 277 3.205 -6.977 -3.508 1.00 0.00 O ATOM 787 CB GLN A 277 1.149 -8.704 -5.315 1.00 0.00 C ATOM 788 CG GLN A 277 1.717 -10.106 -5.178 1.00 0.00 C ATOM 789 CD GLN A 277 0.738 -11.074 -4.543 1.00 0.00 C ATOM 790 OE1 GLN A 277 -0.306 -10.669 -4.028 1.00 0.00 O ATOM 791 NE2 GLN A 277 1.070 -12.358 -4.575 1.00 0.00 N ATOM 0 H GLN A 277 2.688 -8.776 -7.286 1.00 0.00 H new ATOM 0 HA GLN A 277 1.738 -6.653 -5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 277 0.616 -8.446 -4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 277 0.418 -8.695 -6.123 1.00 0.00 H new ATOM 0 HG2 GLN A 277 2.001 -10.477 -6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 277 2.626 -10.068 -4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 277 1.945 -12.648 -5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 277 0.450 -13.055 -4.162 1.00 0.00 H new ATOM 800 N GLU A 278 4.297 -8.517 -4.732 1.00 0.00 N ATOM 801 CA GLU A 278 5.393 -8.656 -3.780 1.00 0.00 C ATOM 802 C GLU A 278 6.117 -7.327 -3.591 1.00 0.00 C ATOM 803 O GLU A 278 6.191 -6.802 -2.480 1.00 0.00 O ATOM 804 CB GLU A 278 6.378 -9.724 -4.257 1.00 0.00 C ATOM 805 CG GLU A 278 5.747 -11.093 -4.446 1.00 0.00 C ATOM 806 CD GLU A 278 5.906 -11.981 -3.228 1.00 0.00 C ATOM 807 OE1 GLU A 278 6.439 -11.498 -2.206 1.00 0.00 O ATOM 808 OE2 GLU A 278 5.496 -13.160 -3.294 1.00 0.00 O ATOM 0 H GLU A 278 4.380 -9.107 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 278 4.974 -8.962 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 278 6.820 -9.403 -5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 278 7.191 -9.804 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 278 4.687 -10.973 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 278 6.199 -11.582 -5.309 1.00 0.00 H new ATOM 815 N GLN A 279 6.647 -6.788 -4.683 1.00 0.00 N ATOM 816 CA GLN A 279 7.365 -5.519 -4.638 1.00 0.00 C ATOM 817 C GLN A 279 6.423 -4.374 -4.284 1.00 0.00 C ATOM 818 O GLN A 279 6.621 -3.681 -3.287 1.00 0.00 O ATOM 819 CB GLN A 279 8.038 -5.243 -5.984 1.00 0.00 C ATOM 820 CG GLN A 279 9.116 -4.174 -5.917 1.00 0.00 C ATOM 821 CD GLN A 279 9.733 -3.884 -7.270 1.00 0.00 C ATOM 822 OE1 GLN A 279 9.704 -4.722 -8.171 1.00 0.00 O ATOM 823 NE2 GLN A 279 10.296 -2.691 -7.420 1.00 0.00 N ATOM 0 H GLN A 279 6.593 -7.210 -5.610 1.00 0.00 H new ATOM 0 HA GLN A 279 8.130 -5.589 -3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 279 8.478 -6.168 -6.357 1.00 0.00 H new ATOM 0 HB3 GLN A 279 7.279 -4.937 -6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 279 8.688 -3.257 -5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 279 9.897 -4.493 -5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 279 10.297 -2.027 -6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 279 10.727 -2.439 -8.309 1.00 0.00 H new ATOM 832 N PHE A 280 5.398 -4.181 -5.108 1.00 0.00 N ATOM 833 CA PHE A 280 4.424 -3.119 -4.880 1.00 0.00 C ATOM 834 C PHE A 280 4.129 -2.964 -3.392 1.00 0.00 C ATOM 835 O PHE A 280 4.301 -1.886 -2.824 1.00 0.00 O ATOM 836 CB PHE A 280 3.129 -3.412 -5.640 1.00 0.00 C ATOM 837 CG PHE A 280 1.956 -2.606 -5.158 1.00 0.00 C ATOM 838 CD1 PHE A 280 2.145 -1.365 -4.573 1.00 0.00 C ATOM 839 CD2 PHE A 280 0.665 -3.092 -5.290 1.00 0.00 C ATOM 840 CE1 PHE A 280 1.068 -0.623 -4.128 1.00 0.00 C ATOM 841 CE2 PHE A 280 -0.416 -2.354 -4.846 1.00 0.00 C ATOM 842 CZ PHE A 280 -0.214 -1.117 -4.265 1.00 0.00 C ATOM 0 H PHE A 280 5.220 -4.745 -5.939 1.00 0.00 H new ATOM 0 HA PHE A 280 4.849 -2.185 -5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 280 3.286 -3.212 -6.700 1.00 0.00 H new ATOM 0 HB3 PHE A 280 2.894 -4.472 -5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 280 3.145 -0.973 -4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 280 0.502 -4.058 -5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 280 1.229 0.343 -3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 280 -1.417 -2.744 -4.953 1.00 0.00 H new ATOM 0 HZ PHE A 280 -1.057 -0.538 -3.919 1.00 0.00 H new ATOM 852 N ILE A 281 3.686 -4.049 -2.766 1.00 0.00 N ATOM 853 CA ILE A 281 3.371 -4.033 -1.344 1.00 0.00 C ATOM 854 C ILE A 281 4.636 -3.884 -0.512 1.00 0.00 C ATOM 855 O ILE A 281 4.628 -3.254 0.545 1.00 0.00 O ATOM 856 CB ILE A 281 2.631 -5.313 -0.911 1.00 0.00 C ATOM 857 CG1 ILE A 281 1.497 -5.633 -1.888 1.00 0.00 C ATOM 858 CG2 ILE A 281 2.089 -5.157 0.502 1.00 0.00 C ATOM 859 CD1 ILE A 281 1.006 -7.061 -1.797 1.00 0.00 C ATOM 0 H ILE A 281 3.537 -4.950 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 281 2.718 -3.177 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 281 3.338 -6.143 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 281 0.663 -4.958 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 281 1.839 -5.439 -2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 281 1.569 -6.069 0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 281 2.914 -4.973 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 281 1.395 -4.317 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 281 0.203 -7.216 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 281 1.827 -7.743 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 281 0.633 -7.254 -0.791 1.00 0.00 H new ATOM 871 N GLN A 282 5.726 -4.466 -1.000 1.00 0.00 N ATOM 872 CA GLN A 282 7.004 -4.397 -0.304 1.00 0.00 C ATOM 873 C GLN A 282 7.284 -2.971 0.156 1.00 0.00 C ATOM 874 O GLN A 282 7.601 -2.734 1.322 1.00 0.00 O ATOM 875 CB GLN A 282 8.134 -4.885 -1.212 1.00 0.00 C ATOM 876 CG GLN A 282 9.465 -5.044 -0.495 1.00 0.00 C ATOM 877 CD GLN A 282 10.145 -3.715 -0.226 1.00 0.00 C ATOM 878 OE1 GLN A 282 9.936 -2.741 -0.947 1.00 0.00 O ATOM 879 NE2 GLN A 282 10.963 -3.671 0.820 1.00 0.00 N ATOM 0 H GLN A 282 5.749 -4.990 -1.875 1.00 0.00 H new ATOM 0 HA GLN A 282 6.953 -5.044 0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 282 7.850 -5.842 -1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 282 8.256 -4.182 -2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 282 9.305 -5.564 0.450 1.00 0.00 H new ATOM 0 HG3 GLN A 282 10.125 -5.670 -1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 282 11.106 -4.504 1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 282 11.448 -2.804 1.052 1.00 0.00 H new ATOM 888 N MET A 283 7.159 -2.024 -0.768 1.00 0.00 N ATOM 889 CA MET A 283 7.391 -0.619 -0.459 1.00 0.00 C ATOM 890 C MET A 283 6.199 -0.031 0.289 1.00 0.00 C ATOM 891 O MET A 283 6.363 0.732 1.239 1.00 0.00 O ATOM 892 CB MET A 283 7.647 0.174 -1.741 1.00 0.00 C ATOM 893 CG MET A 283 9.107 0.549 -1.943 1.00 0.00 C ATOM 894 SD MET A 283 9.809 -0.175 -3.437 1.00 0.00 S ATOM 895 CE MET A 283 11.531 0.285 -3.261 1.00 0.00 C ATOM 0 H MET A 283 6.898 -2.205 -1.737 1.00 0.00 H new ATOM 0 HA MET A 283 8.272 -0.551 0.179 1.00 0.00 H new ATOM 0 HB2 MET A 283 7.310 -0.413 -2.595 1.00 0.00 H new ATOM 0 HB3 MET A 283 7.046 1.083 -1.722 1.00 0.00 H new ATOM 0 HG2 MET A 283 9.196 1.634 -1.993 1.00 0.00 H new ATOM 0 HG3 MET A 283 9.685 0.222 -1.079 1.00 0.00 H new ATOM 0 HE1 MET A 283 12.097 -0.093 -4.112 1.00 0.00 H new ATOM 0 HE2 MET A 283 11.615 1.371 -3.222 1.00 0.00 H new ATOM 0 HE3 MET A 283 11.930 -0.143 -2.341 1.00 0.00 H new ATOM 905 N LEU A 284 4.999 -0.396 -0.147 1.00 0.00 N ATOM 906 CA LEU A 284 3.775 0.089 0.479 1.00 0.00 C ATOM 907 C LEU A 284 3.943 0.188 1.990 1.00 0.00 C ATOM 908 O LEU A 284 3.474 1.138 2.617 1.00 0.00 O ATOM 909 CB LEU A 284 2.608 -0.841 0.143 1.00 0.00 C ATOM 910 CG LEU A 284 1.220 -0.220 0.293 1.00 0.00 C ATOM 911 CD1 LEU A 284 0.887 -0.004 1.761 1.00 0.00 C ATOM 912 CD2 LEU A 284 1.141 1.092 -0.473 1.00 0.00 C ATOM 0 H LEU A 284 4.848 -1.028 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 284 3.562 1.085 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 284 2.725 -1.188 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 284 2.667 -1.720 0.785 1.00 0.00 H new ATOM 0 HG LEU A 284 0.486 -0.909 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 284 -0.105 0.439 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 284 0.904 -0.961 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 284 1.623 0.665 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 284 0.146 1.522 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 284 1.885 1.787 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 284 1.335 0.909 -1.530 1.00 0.00 H new ATOM 924 N ASN A 285 4.618 -0.799 2.570 1.00 0.00 N ATOM 925 CA ASN A 285 4.851 -0.823 4.008 1.00 0.00 C ATOM 926 C ASN A 285 6.142 -0.091 4.358 1.00 0.00 C ATOM 927 O ASN A 285 6.876 -0.506 5.255 1.00 0.00 O ATOM 928 CB ASN A 285 4.916 -2.266 4.512 1.00 0.00 C ATOM 929 CG ASN A 285 3.542 -2.893 4.649 1.00 0.00 C ATOM 930 OD1 ASN A 285 3.070 -3.585 3.747 1.00 0.00 O ATOM 931 ND2 ASN A 285 2.892 -2.650 5.780 1.00 0.00 N ATOM 0 H ASN A 285 5.013 -1.593 2.065 1.00 0.00 H new ATOM 0 HA ASN A 285 4.020 -0.314 4.496 1.00 0.00 H new ATOM 0 HB2 ASN A 285 5.517 -2.861 3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 285 5.420 -2.288 5.478 1.00 0.00 H new ATOM 0 HD21 ASN A 285 1.962 -3.043 5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 285 3.322 -2.070 6.501 1.00 0.00 H new ATOM 938 N GLU A 286 6.410 0.996 3.638 1.00 0.00 N ATOM 939 CA GLU A 286 7.611 1.799 3.857 1.00 0.00 C ATOM 940 C GLU A 286 8.050 1.753 5.318 1.00 0.00 C ATOM 941 O GLU A 286 7.639 2.585 6.127 1.00 0.00 O ATOM 942 CB GLU A 286 7.360 3.248 3.438 1.00 0.00 C ATOM 943 CG GLU A 286 8.450 4.209 3.887 1.00 0.00 C ATOM 944 CD GLU A 286 9.811 3.847 3.326 1.00 0.00 C ATOM 945 OE1 GLU A 286 9.945 2.743 2.758 1.00 0.00 O ATOM 946 OE2 GLU A 286 10.744 4.668 3.455 1.00 0.00 O ATOM 0 H GLU A 286 5.807 1.343 2.892 1.00 0.00 H new ATOM 0 HA GLU A 286 8.410 1.378 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 286 7.272 3.293 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 286 6.406 3.576 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 286 8.189 5.220 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 286 8.499 4.214 4.976 1.00 0.00 H new ATOM 953 N PRO A 287 8.892 0.773 5.674 1.00 0.00 N ATOM 954 CA PRO A 287 9.390 0.610 7.045 1.00 0.00 C ATOM 955 C PRO A 287 10.171 1.829 7.524 1.00 0.00 C ATOM 956 O PRO A 287 9.967 2.311 8.638 1.00 0.00 O ATOM 957 CB PRO A 287 10.311 -0.612 6.958 1.00 0.00 C ATOM 958 CG PRO A 287 9.902 -1.322 5.713 1.00 0.00 C ATOM 959 CD PRO A 287 9.423 -0.258 4.768 1.00 0.00 C ATOM 0 HA PRO A 287 8.574 0.491 7.758 1.00 0.00 H new ATOM 0 HB2 PRO A 287 11.358 -0.313 6.915 1.00 0.00 H new ATOM 0 HB3 PRO A 287 10.198 -1.253 7.832 1.00 0.00 H new ATOM 0 HG2 PRO A 287 10.739 -1.875 5.286 1.00 0.00 H new ATOM 0 HG3 PRO A 287 9.113 -2.046 5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.233 0.127 4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 287 8.656 -0.635 4.091 1.00 0.00 H new ATOM 967 N PRO A 288 11.080 2.343 6.681 1.00 0.00 N ATOM 968 CA PRO A 288 11.899 3.512 7.015 1.00 0.00 C ATOM 969 C PRO A 288 11.058 4.693 7.484 1.00 0.00 C ATOM 970 O PRO A 288 9.910 4.854 7.070 1.00 0.00 O ATOM 971 CB PRO A 288 12.599 3.845 5.695 1.00 0.00 C ATOM 972 CG PRO A 288 12.629 2.557 4.947 1.00 0.00 C ATOM 973 CD PRO A 288 11.377 1.822 5.336 1.00 0.00 C ATOM 0 HA PRO A 288 12.585 3.307 7.837 1.00 0.00 H new ATOM 0 HB2 PRO A 288 12.057 4.612 5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 288 13.605 4.227 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 288 12.661 2.731 3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 288 13.517 1.978 5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 288 10.562 2.020 4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 288 11.532 0.743 5.348 1.00 0.00 H new TER 981 PRO A 288