USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 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 269 LYS NZ :NH3+ -179:sc= -3.9! (180deg=-4.68!) USER MOD Set 1.2: A 271 ASN : amide:sc= -7.56! C(o=-14!,f=-23!) USER MOD Set 1.3: A 272 MET CE :methyl 156:sc= -1.6 (180deg=-1.98) USER MOD Set 1.4: A 286 HIS : no HD1:sc= -0.974 K(o=-14,f=-16!) USER MOD Set 2.1: A 240 TYR OH : rot 180:sc= 0.941 USER MOD Set 2.2: A 281 ASN : amide:sc= 0.156 X(o=1.1,f=1.6) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 GLN : amide:sc= -2.32! C(o=-2.3!,f=-3.3!) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 228 ASN : amide:sc= -2.57! K(o=-2.6!,f=-0.2) USER MOD Single : A 229 THR OG1 : rot 49:sc= -2.58! USER MOD Single : A 233 ASN : amide:sc= -9.44! C(o=-9.4!,f=-23!) USER MOD Single : A 235 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.5!) USER MOD Single : A 236 ASN : amide:sc=-0.000169 K(o=-0.00017,f=-0.83) USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 246 LYS NZ :NH3+ -179:sc= -0.0168 (180deg=-0.0178) USER MOD Single : A 250 ASN : amide:sc= -2.65 K(o=-2.7,f=-11!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 12:sc= 1.15 USER MOD Single : A 266 LYS NZ :NH3+ -143:sc= 1.17 (180deg=0.277) USER MOD Single : A 268 THR OG1 : rot -32:sc= 0.675 USER MOD Single : A 273 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 275 GLN : amide:sc= -3.85! C(o=-3.8!,f=-5.3!) USER MOD Single : A 280 CYS SG : rot 128:sc= -3.76! USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 290 THR OG1 : rot -174:sc= -2.6! USER MOD Single : A 291 HIS : no HE2:sc= -2.56 X(o=-2.6,f=-2.4) USER MOD Single : A 297 GLN : amide:sc= -1.6! X(o=-1.6!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 18.115 -0.115 -0.961 1.00 4.69 N ATOM 2 CA GLY A 220 17.620 -0.330 0.419 1.00 4.23 C ATOM 3 C GLY A 220 16.525 -1.380 0.471 1.00 3.74 C ATOM 4 O GLY A 220 16.063 -1.845 -0.574 1.00 3.79 O ATOM 0 HA2 GLY A 220 18.448 -0.637 1.058 1.00 4.23 H new ATOM 0 HA3 GLY A 220 17.241 0.610 0.819 1.00 4.23 H new ATOM 10 N PRO A 221 16.118 -1.792 1.686 1.00 3.49 N ATOM 11 CA PRO A 221 14.989 -2.726 1.907 1.00 3.23 C ATOM 12 C PRO A 221 13.661 -2.186 1.378 1.00 2.59 C ATOM 13 O PRO A 221 13.630 -1.220 0.612 1.00 2.75 O ATOM 14 CB PRO A 221 14.930 -2.831 3.437 1.00 3.34 C ATOM 15 CG PRO A 221 16.303 -2.490 3.885 1.00 3.90 C ATOM 16 CD PRO A 221 16.750 -1.403 2.959 1.00 3.80 C ATOM 0 HA PRO A 221 15.140 -3.673 1.388 1.00 3.23 H new ATOM 0 HB2 PRO A 221 14.194 -2.144 3.854 1.00 3.34 H new ATOM 0 HB3 PRO A 221 14.646 -3.834 3.756 1.00 3.34 H new ATOM 0 HG2 PRO A 221 16.308 -2.153 4.922 1.00 3.90 H new ATOM 0 HG3 PRO A 221 16.964 -3.355 3.827 1.00 3.90 H new ATOM 0 HD2 PRO A 221 16.417 -0.421 3.295 1.00 3.80 H new ATOM 0 HD3 PRO A 221 17.836 -1.360 2.877 1.00 3.80 H new ATOM 24 N TYR A 222 12.556 -2.811 1.787 1.00 2.37 N ATOM 25 CA TYR A 222 11.245 -2.291 1.439 1.00 2.06 C ATOM 26 C TYR A 222 11.128 -0.882 1.997 1.00 2.25 C ATOM 27 O TYR A 222 11.413 -0.636 3.170 1.00 2.77 O ATOM 28 CB TYR A 222 10.107 -3.224 1.883 1.00 2.28 C ATOM 29 CG TYR A 222 10.186 -3.764 3.299 1.00 2.92 C ATOM 30 CD1 TYR A 222 11.068 -4.788 3.626 1.00 3.43 C ATOM 31 CD2 TYR A 222 9.344 -3.284 4.294 1.00 3.39 C ATOM 32 CE1 TYR A 222 11.109 -5.316 4.901 1.00 4.30 C ATOM 33 CE2 TYR A 222 9.386 -3.802 5.575 1.00 4.22 C ATOM 34 CZ TYR A 222 10.268 -4.819 5.873 1.00 4.65 C ATOM 35 OH TYR A 222 10.299 -5.349 7.143 1.00 5.60 O ATOM 0 H TYR A 222 12.547 -3.662 2.349 1.00 2.37 H new ATOM 0 HA TYR A 222 11.142 -2.245 0.355 1.00 2.06 H new ATOM 0 HB2 TYR A 222 9.164 -2.687 1.775 1.00 2.28 H new ATOM 0 HB3 TYR A 222 10.073 -4.070 1.197 1.00 2.28 H new ATOM 0 HD1 TYR A 222 11.733 -5.177 2.869 1.00 3.43 H new ATOM 0 HD2 TYR A 222 8.645 -2.493 4.063 1.00 3.39 H new ATOM 0 HE1 TYR A 222 11.797 -6.115 5.136 1.00 4.30 H new ATOM 0 HE2 TYR A 222 8.730 -3.412 6.339 1.00 4.22 H new ATOM 0 HH TYR A 222 9.645 -4.886 7.707 1.00 5.60 H new ATOM 45 N ALA A 223 10.715 0.026 1.128 1.00 2.49 N ATOM 46 CA ALA A 223 11.164 1.408 1.189 1.00 2.89 C ATOM 47 C ALA A 223 10.771 2.185 2.434 1.00 2.33 C ATOM 48 O ALA A 223 9.727 2.820 2.491 1.00 2.21 O ATOM 49 CB ALA A 223 10.696 2.151 -0.046 1.00 3.84 C ATOM 0 H ALA A 223 10.065 -0.171 0.367 1.00 2.49 H new ATOM 0 HA ALA A 223 12.251 1.344 1.235 1.00 2.89 H new ATOM 0 HB1 ALA A 223 11.034 3.186 0.002 1.00 3.84 H new ATOM 0 HB2 ALA A 223 11.110 1.675 -0.935 1.00 3.84 H new ATOM 0 HB3 ALA A 223 9.607 2.127 -0.095 1.00 3.84 H new ATOM 55 N GLN A 224 11.635 2.104 3.427 1.00 2.43 N ATOM 56 CA GLN A 224 11.887 3.206 4.328 1.00 2.08 C ATOM 57 C GLN A 224 13.347 3.134 4.743 1.00 1.83 C ATOM 58 O GLN A 224 13.702 2.581 5.784 1.00 2.07 O ATOM 59 CB GLN A 224 10.953 3.246 5.542 1.00 2.42 C ATOM 60 CG GLN A 224 11.006 2.028 6.446 1.00 2.85 C ATOM 61 CD GLN A 224 10.503 2.347 7.839 1.00 3.37 C ATOM 62 OE1 GLN A 224 10.635 3.480 8.308 1.00 4.07 O ATOM 63 NE2 GLN A 224 9.934 1.363 8.510 1.00 3.48 N ATOM 0 H GLN A 224 12.183 1.268 3.630 1.00 2.43 H new ATOM 0 HA GLN A 224 11.677 4.137 3.802 1.00 2.08 H new ATOM 0 HB2 GLN A 224 11.194 4.128 6.135 1.00 2.42 H new ATOM 0 HB3 GLN A 224 9.930 3.370 5.188 1.00 2.42 H new ATOM 0 HG2 GLN A 224 10.404 1.228 6.015 1.00 2.85 H new ATOM 0 HG3 GLN A 224 12.031 1.661 6.503 1.00 2.85 H new ATOM 0 HE21 GLN A 224 9.845 0.440 8.084 1.00 3.48 H new ATOM 0 HE22 GLN A 224 9.583 1.525 9.454 1.00 3.48 H new ATOM 72 N PRO A 225 14.224 3.669 3.897 1.00 1.72 N ATOM 73 CA PRO A 225 15.656 3.653 4.155 1.00 1.92 C ATOM 74 C PRO A 225 16.000 4.556 5.328 1.00 2.14 C ATOM 75 O PRO A 225 16.864 4.244 6.149 1.00 2.66 O ATOM 76 CB PRO A 225 16.267 4.182 2.847 1.00 2.14 C ATOM 77 CG PRO A 225 15.171 4.147 1.837 1.00 2.04 C ATOM 78 CD PRO A 225 13.899 4.286 2.604 1.00 1.87 C ATOM 0 HA PRO A 225 16.031 2.665 4.422 1.00 1.92 H new ATOM 0 HB2 PRO A 225 16.647 5.196 2.976 1.00 2.14 H new ATOM 0 HB3 PRO A 225 17.108 3.564 2.532 1.00 2.14 H new ATOM 0 HG2 PRO A 225 15.281 4.955 1.114 1.00 2.04 H new ATOM 0 HG3 PRO A 225 15.188 3.213 1.276 1.00 2.04 H new ATOM 0 HD2 PRO A 225 13.608 5.330 2.717 1.00 1.87 H new ATOM 0 HD3 PRO A 225 13.072 3.776 2.110 1.00 1.87 H new ATOM 86 N SER A 226 15.278 5.665 5.395 1.00 1.95 N ATOM 87 CA SER A 226 15.424 6.649 6.464 1.00 2.16 C ATOM 88 C SER A 226 14.479 7.821 6.256 1.00 2.03 C ATOM 89 O SER A 226 14.499 8.792 7.008 1.00 2.18 O ATOM 90 CB SER A 226 16.862 7.158 6.546 1.00 2.66 C ATOM 91 OG SER A 226 17.404 7.387 5.251 1.00 3.31 O ATOM 0 H SER A 226 14.568 5.912 4.705 1.00 1.95 H new ATOM 0 HA SER A 226 15.171 6.154 7.402 1.00 2.16 H new ATOM 0 HB2 SER A 226 16.890 8.082 7.123 1.00 2.66 H new ATOM 0 HB3 SER A 226 17.477 6.432 7.077 1.00 2.66 H new ATOM 0 HG SER A 226 18.324 7.714 5.335 1.00 3.31 H new ATOM 97 N ILE A 227 13.633 7.717 5.242 1.00 1.95 N ATOM 98 CA ILE A 227 12.728 8.810 4.882 1.00 2.10 C ATOM 99 C ILE A 227 11.576 8.955 5.896 1.00 2.00 C ATOM 100 O ILE A 227 10.743 9.850 5.768 1.00 2.30 O ATOM 101 CB ILE A 227 12.146 8.596 3.463 1.00 2.25 C ATOM 102 CG1 ILE A 227 13.227 8.083 2.508 1.00 2.55 C ATOM 103 CG2 ILE A 227 11.564 9.894 2.919 1.00 2.41 C ATOM 104 CD1 ILE A 227 12.671 7.534 1.212 1.00 2.87 C ATOM 0 H ILE A 227 13.551 6.890 4.651 1.00 1.95 H new ATOM 0 HA ILE A 227 13.315 9.729 4.897 1.00 2.10 H new ATOM 0 HB ILE A 227 11.352 7.853 3.536 1.00 2.25 H new ATOM 0 HG12 ILE A 227 13.918 8.895 2.283 1.00 2.55 H new ATOM 0 HG13 ILE A 227 13.803 7.303 3.007 1.00 2.55 H new ATOM 0 HG21 ILE A 227 11.160 9.722 1.921 1.00 2.41 H new ATOM 0 HG22 ILE A 227 10.768 10.240 3.578 1.00 2.41 H new ATOM 0 HG23 ILE A 227 12.347 10.651 2.868 1.00 2.41 H new ATOM 0 HD11 ILE A 227 13.491 7.188 0.582 1.00 2.87 H new ATOM 0 HD12 ILE A 227 12.002 6.701 1.427 1.00 2.87 H new ATOM 0 HD13 ILE A 227 12.120 8.317 0.692 1.00 2.87 H new ATOM 116 N ASN A 228 11.571 8.104 6.931 1.00 1.79 N ATOM 117 CA ASN A 228 10.464 8.054 7.921 1.00 1.83 C ATOM 118 C ASN A 228 9.170 7.619 7.254 1.00 1.88 C ATOM 119 O ASN A 228 8.080 8.011 7.677 1.00 2.30 O ATOM 120 CB ASN A 228 10.188 9.411 8.603 1.00 2.31 C ATOM 121 CG ASN A 228 11.356 9.978 9.401 1.00 2.87 C ATOM 122 OD1 ASN A 228 11.154 10.589 10.449 1.00 3.55 O ATOM 123 ND2 ASN A 228 12.572 9.809 8.913 1.00 3.10 N ATOM 0 H ASN A 228 12.319 7.435 7.113 1.00 1.79 H new ATOM 0 HA ASN A 228 10.789 7.340 8.677 1.00 1.83 H new ATOM 0 HB2 ASN A 228 9.904 10.134 7.838 1.00 2.31 H new ATOM 0 HB3 ASN A 228 9.332 9.299 9.269 1.00 2.31 H new ATOM 0 HD21 ASN A 228 13.378 10.191 9.408 1.00 3.10 H new ATOM 0 HD22 ASN A 228 12.705 9.297 8.041 1.00 3.10 H new ATOM 130 N THR A 229 9.284 6.808 6.229 1.00 2.19 N ATOM 131 CA THR A 229 8.151 6.505 5.379 1.00 2.52 C ATOM 132 C THR A 229 8.010 5.009 5.138 1.00 2.03 C ATOM 133 O THR A 229 8.571 4.498 4.176 1.00 2.87 O ATOM 134 CB THR A 229 8.362 7.179 4.015 1.00 3.92 C ATOM 135 OG1 THR A 229 9.634 6.778 3.480 1.00 4.47 O ATOM 136 CG2 THR A 229 8.324 8.688 4.111 1.00 4.68 C ATOM 0 H THR A 229 10.152 6.344 5.961 1.00 2.19 H new ATOM 0 HA THR A 229 7.253 6.869 5.878 1.00 2.52 H new ATOM 0 HB THR A 229 7.548 6.864 3.362 1.00 3.92 H new ATOM 0 HG1 THR A 229 9.720 5.803 3.536 1.00 4.47 H new ATOM 0 HG21 THR A 229 8.478 9.119 3.122 1.00 4.68 H new ATOM 0 HG22 THR A 229 7.355 9.004 4.498 1.00 4.68 H new ATOM 0 HG23 THR A 229 9.112 9.030 4.782 1.00 4.68 H new ATOM 144 N PRO A 230 7.277 4.260 5.968 1.00 1.09 N ATOM 145 CA PRO A 230 7.199 2.826 5.751 1.00 1.06 C ATOM 146 C PRO A 230 6.014 2.394 4.890 1.00 1.08 C ATOM 147 O PRO A 230 4.904 2.170 5.385 1.00 1.84 O ATOM 148 CB PRO A 230 7.015 2.324 7.181 1.00 1.66 C ATOM 149 CG PRO A 230 6.236 3.409 7.874 1.00 1.77 C ATOM 150 CD PRO A 230 6.541 4.702 7.156 1.00 1.32 C ATOM 0 HA PRO A 230 8.065 2.440 5.214 1.00 1.06 H new ATOM 0 HB2 PRO A 230 6.477 1.376 7.201 1.00 1.66 H new ATOM 0 HB3 PRO A 230 7.976 2.155 7.667 1.00 1.66 H new ATOM 0 HG2 PRO A 230 5.168 3.195 7.845 1.00 1.77 H new ATOM 0 HG3 PRO A 230 6.519 3.476 8.924 1.00 1.77 H new ATOM 0 HD2 PRO A 230 5.631 5.239 6.889 1.00 1.32 H new ATOM 0 HD3 PRO A 230 7.138 5.374 7.773 1.00 1.32 H new ATOM 158 N LEU A 231 6.258 2.330 3.591 1.00 1.29 N ATOM 159 CA LEU A 231 5.507 1.512 2.664 1.00 1.31 C ATOM 160 C LEU A 231 6.493 1.087 1.565 1.00 0.89 C ATOM 161 O LEU A 231 7.457 1.811 1.328 1.00 1.38 O ATOM 162 CB LEU A 231 4.318 2.309 2.134 1.00 2.04 C ATOM 163 CG LEU A 231 3.151 1.504 1.549 1.00 2.75 C ATOM 164 CD1 LEU A 231 2.615 0.504 2.558 1.00 3.41 C ATOM 165 CD2 LEU A 231 2.035 2.440 1.115 1.00 3.64 C ATOM 0 H LEU A 231 7.005 2.862 3.144 1.00 1.29 H new ATOM 0 HA LEU A 231 5.087 0.620 3.128 1.00 1.31 H new ATOM 0 HB2 LEU A 231 3.932 2.925 2.947 1.00 2.04 H new ATOM 0 HB3 LEU A 231 4.681 2.989 1.364 1.00 2.04 H new ATOM 0 HG LEU A 231 3.522 0.955 0.684 1.00 2.75 H new ATOM 0 HD11 LEU A 231 1.789 -0.052 2.115 1.00 3.41 H new ATOM 0 HD12 LEU A 231 3.408 -0.188 2.841 1.00 3.41 H new ATOM 0 HD13 LEU A 231 2.263 1.034 3.443 1.00 3.41 H new ATOM 0 HD21 LEU A 231 1.212 1.857 0.701 1.00 3.64 H new ATOM 0 HD22 LEU A 231 1.681 3.008 1.975 1.00 3.64 H new ATOM 0 HD23 LEU A 231 2.411 3.127 0.357 1.00 3.64 H new ATOM 177 N PRO A 232 6.323 -0.053 0.881 1.00 1.28 N ATOM 178 CA PRO A 232 7.217 -0.410 -0.233 1.00 1.64 C ATOM 179 C PRO A 232 7.113 0.581 -1.405 1.00 1.09 C ATOM 180 O PRO A 232 6.139 1.324 -1.508 1.00 1.25 O ATOM 181 CB PRO A 232 6.755 -1.807 -0.646 1.00 2.66 C ATOM 182 CG PRO A 232 5.891 -2.293 0.472 1.00 2.98 C ATOM 183 CD PRO A 232 5.307 -1.076 1.128 1.00 2.18 C ATOM 0 HA PRO A 232 8.266 -0.381 0.063 1.00 1.64 H new ATOM 0 HB2 PRO A 232 6.201 -1.775 -1.584 1.00 2.66 H new ATOM 0 HB3 PRO A 232 7.605 -2.471 -0.801 1.00 2.66 H new ATOM 0 HG2 PRO A 232 5.103 -2.946 0.096 1.00 2.98 H new ATOM 0 HG3 PRO A 232 6.474 -2.875 1.186 1.00 2.98 H new ATOM 0 HD2 PRO A 232 4.346 -0.804 0.692 1.00 2.18 H new ATOM 0 HD3 PRO A 232 5.141 -1.232 2.194 1.00 2.18 H new ATOM 191 N ASN A 233 8.114 0.594 -2.294 1.00 0.77 N ATOM 192 CA ASN A 233 8.195 1.606 -3.327 1.00 0.98 C ATOM 193 C ASN A 233 7.713 1.069 -4.676 1.00 0.61 C ATOM 194 O ASN A 233 7.989 -0.081 -5.033 1.00 1.31 O ATOM 195 CB ASN A 233 9.647 2.091 -3.421 1.00 2.09 C ATOM 196 CG ASN A 233 9.793 3.428 -4.115 1.00 2.85 C ATOM 197 OD1 ASN A 233 9.021 3.764 -5.005 1.00 3.08 O ATOM 198 ND2 ASN A 233 10.803 4.193 -3.732 1.00 3.66 N ATOM 0 H ASN A 233 8.872 -0.088 -2.310 1.00 0.77 H new ATOM 0 HA ASN A 233 7.542 2.439 -3.066 1.00 0.98 H new ATOM 0 HB2 ASN A 233 10.063 2.165 -2.416 1.00 2.09 H new ATOM 0 HB3 ASN A 233 10.237 1.347 -3.956 1.00 2.09 H new ATOM 0 HD21 ASN A 233 10.959 5.095 -4.182 1.00 3.66 H new ATOM 0 HD22 ASN A 233 11.426 3.880 -2.987 1.00 3.66 H new ATOM 205 N LEU A 234 6.965 1.913 -5.391 1.00 0.89 N ATOM 206 CA LEU A 234 6.626 1.706 -6.808 1.00 0.65 C ATOM 207 C LEU A 234 7.878 1.287 -7.555 1.00 0.63 C ATOM 208 O LEU A 234 7.875 0.397 -8.401 1.00 0.85 O ATOM 209 CB LEU A 234 6.108 3.048 -7.348 1.00 0.57 C ATOM 210 CG LEU A 234 5.631 3.147 -8.804 1.00 0.55 C ATOM 211 CD1 LEU A 234 6.800 3.379 -9.753 1.00 0.90 C ATOM 212 CD2 LEU A 234 4.857 1.912 -9.221 1.00 0.86 C ATOM 0 H LEU A 234 6.572 2.770 -5.001 1.00 0.89 H new ATOM 0 HA LEU A 234 5.871 0.930 -6.933 1.00 0.65 H new ATOM 0 HB2 LEU A 234 5.279 3.357 -6.712 1.00 0.57 H new ATOM 0 HB3 LEU A 234 6.903 3.782 -7.215 1.00 0.57 H new ATOM 0 HG LEU A 234 4.961 4.005 -8.863 1.00 0.55 H new ATOM 0 HD11 LEU A 234 6.430 3.445 -10.776 1.00 0.90 H new ATOM 0 HD12 LEU A 234 7.304 4.309 -9.489 1.00 0.90 H new ATOM 0 HD13 LEU A 234 7.503 2.550 -9.674 1.00 0.90 H new ATOM 0 HD21 LEU A 234 4.535 2.017 -10.257 1.00 0.86 H new ATOM 0 HD22 LEU A 234 5.495 1.033 -9.127 1.00 0.86 H new ATOM 0 HD23 LEU A 234 3.983 1.796 -8.580 1.00 0.86 H new ATOM 224 N GLN A 235 8.935 1.969 -7.192 1.00 0.59 N ATOM 225 CA GLN A 235 10.267 1.737 -7.649 1.00 0.72 C ATOM 226 C GLN A 235 10.694 0.287 -7.527 1.00 0.76 C ATOM 227 O GLN A 235 11.102 -0.346 -8.503 1.00 0.99 O ATOM 228 CB GLN A 235 11.097 2.588 -6.736 1.00 0.79 C ATOM 229 CG GLN A 235 11.927 3.626 -7.443 1.00 1.06 C ATOM 230 CD GLN A 235 13.320 3.142 -7.787 1.00 1.32 C ATOM 231 OE1 GLN A 235 13.896 2.312 -7.084 1.00 1.98 O ATOM 232 NE2 GLN A 235 13.868 3.652 -8.874 1.00 1.70 N ATOM 0 H GLN A 235 8.877 2.744 -6.531 1.00 0.59 H new ATOM 0 HA GLN A 235 10.370 1.974 -8.708 1.00 0.72 H new ATOM 0 HB2 GLN A 235 10.439 3.088 -6.026 1.00 0.79 H new ATOM 0 HB3 GLN A 235 11.758 1.943 -6.158 1.00 0.79 H new ATOM 0 HG2 GLN A 235 11.418 3.928 -8.358 1.00 1.06 H new ATOM 0 HG3 GLN A 235 12.002 4.512 -6.813 1.00 1.06 H new ATOM 0 HE21 GLN A 235 13.357 4.338 -9.429 1.00 1.70 H new ATOM 0 HE22 GLN A 235 14.803 3.360 -9.159 1.00 1.70 H new ATOM 241 N ASN A 236 10.593 -0.221 -6.315 1.00 0.64 N ATOM 242 CA ASN A 236 11.112 -1.528 -5.980 1.00 0.65 C ATOM 243 C ASN A 236 10.216 -2.637 -6.522 1.00 0.57 C ATOM 244 O ASN A 236 10.674 -3.752 -6.766 1.00 0.61 O ATOM 245 CB ASN A 236 11.279 -1.645 -4.459 1.00 0.75 C ATOM 246 CG ASN A 236 12.348 -0.707 -3.909 1.00 0.95 C ATOM 247 OD1 ASN A 236 13.298 -0.357 -4.605 1.00 1.48 O ATOM 248 ND2 ASN A 236 12.209 -0.306 -2.650 1.00 1.06 N ATOM 0 H ASN A 236 10.148 0.263 -5.535 1.00 0.64 H new ATOM 0 HA ASN A 236 12.088 -1.645 -6.451 1.00 0.65 H new ATOM 0 HB2 ASN A 236 10.327 -1.427 -3.976 1.00 0.75 H new ATOM 0 HB3 ASN A 236 11.538 -2.673 -4.204 1.00 0.75 H new ATOM 0 HD21 ASN A 236 12.904 0.312 -2.232 1.00 1.06 H new ATOM 0 HD22 ASN A 236 11.407 -0.617 -2.101 1.00 1.06 H new ATOM 255 N GLY A 237 8.941 -2.331 -6.705 1.00 0.55 N ATOM 256 CA GLY A 237 8.028 -3.281 -7.285 1.00 0.52 C ATOM 257 C GLY A 237 7.366 -2.724 -8.544 1.00 0.52 C ATOM 258 O GLY A 237 7.973 -2.738 -9.615 1.00 0.65 O ATOM 0 H GLY A 237 8.524 -1.433 -6.459 1.00 0.55 H new ATOM 0 HA2 GLY A 237 8.563 -4.199 -7.529 1.00 0.52 H new ATOM 0 HA3 GLY A 237 7.262 -3.543 -6.555 1.00 0.52 H new ATOM 262 N PRO A 238 6.120 -2.220 -8.444 1.00 0.40 N ATOM 263 CA PRO A 238 5.352 -2.221 -7.207 1.00 0.28 C ATOM 264 C PRO A 238 4.987 -3.580 -6.750 1.00 0.28 C ATOM 265 O PRO A 238 4.588 -4.463 -7.508 1.00 0.41 O ATOM 266 CB PRO A 238 4.126 -1.373 -7.507 1.00 0.25 C ATOM 267 CG PRO A 238 3.987 -1.394 -8.974 1.00 0.59 C ATOM 268 CD PRO A 238 5.380 -1.568 -9.533 1.00 0.43 C ATOM 0 HA PRO A 238 5.940 -1.818 -6.382 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.238 -1.780 -7.022 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.252 -0.355 -7.139 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.337 -2.210 -9.291 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.537 -0.469 -9.335 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.375 -2.180 -10.435 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.825 -0.610 -9.801 1.00 0.43 H new ATOM 276 N PHE A 239 5.154 -3.708 -5.476 1.00 0.24 N ATOM 277 CA PHE A 239 5.037 -4.967 -4.825 1.00 0.26 C ATOM 278 C PHE A 239 3.583 -5.204 -4.503 1.00 0.22 C ATOM 279 O PHE A 239 2.838 -4.247 -4.328 1.00 0.26 O ATOM 280 CB PHE A 239 5.846 -4.987 -3.535 1.00 0.38 C ATOM 281 CG PHE A 239 7.343 -4.975 -3.687 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.977 -5.733 -4.655 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.119 -4.247 -2.806 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.356 -5.758 -4.740 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.495 -4.258 -2.891 1.00 0.79 C ATOM 286 CZ PHE A 239 10.115 -5.018 -3.857 1.00 0.78 C ATOM 0 H PHE A 239 5.378 -2.933 -4.852 1.00 0.24 H new ATOM 0 HA PHE A 239 5.420 -5.747 -5.483 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.556 -4.124 -2.936 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.567 -5.876 -2.970 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.388 -6.311 -5.352 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.639 -3.659 -2.037 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.840 -6.357 -5.498 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.085 -3.672 -2.202 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.193 -5.035 -3.923 1.00 0.78 H new ATOM 296 N TYR A 240 3.170 -6.446 -4.394 1.00 0.22 N ATOM 297 CA TYR A 240 1.837 -6.709 -3.984 1.00 0.21 C ATOM 298 C TYR A 240 1.898 -6.792 -2.498 1.00 0.19 C ATOM 299 O TYR A 240 2.988 -6.904 -1.940 1.00 0.23 O ATOM 300 CB TYR A 240 1.321 -8.020 -4.570 1.00 0.24 C ATOM 301 CG TYR A 240 0.346 -7.884 -5.716 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.382 -6.718 -5.923 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.117 -8.957 -6.568 1.00 0.64 C ATOM 304 CE1 TYR A 240 -1.302 -6.631 -6.943 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.796 -8.871 -7.598 1.00 0.79 C ATOM 306 CZ TYR A 240 -1.505 -7.706 -7.780 1.00 0.69 C ATOM 307 OH TYR A 240 -2.420 -7.611 -8.802 1.00 0.88 O ATOM 0 H TYR A 240 3.740 -7.271 -4.584 1.00 0.22 H new ATOM 0 HA TYR A 240 1.154 -5.933 -4.329 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.175 -8.606 -4.911 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.841 -8.589 -3.774 1.00 0.24 H new ATOM 0 HD1 TYR A 240 -0.224 -5.869 -5.275 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.664 -9.876 -6.421 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.864 -5.720 -7.087 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -0.953 -9.712 -8.257 1.00 0.79 H new ATOM 0 HH TYR A 240 -2.443 -8.455 -9.300 1.00 0.88 H new ATOM 317 N ALA A 241 0.790 -6.700 -1.843 1.00 0.14 N ATOM 318 CA ALA A 241 0.806 -6.879 -0.440 1.00 0.15 C ATOM 319 C ALA A 241 -0.507 -7.368 0.084 1.00 0.11 C ATOM 320 O ALA A 241 -1.551 -6.783 -0.166 1.00 0.12 O ATOM 321 CB ALA A 241 1.242 -5.608 0.256 1.00 0.24 C ATOM 0 H ALA A 241 -0.123 -6.505 -2.253 1.00 0.14 H new ATOM 0 HA ALA A 241 1.537 -7.657 -0.219 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.247 -5.767 1.334 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.244 -5.337 -0.076 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.549 -4.803 0.012 1.00 0.24 H new ATOM 327 N ARG A 242 -0.441 -8.443 0.831 1.00 0.10 N ATOM 328 CA ARG A 242 -1.621 -9.023 1.396 1.00 0.08 C ATOM 329 C ARG A 242 -2.045 -8.173 2.568 1.00 0.08 C ATOM 330 O ARG A 242 -1.459 -8.235 3.647 1.00 0.11 O ATOM 331 CB ARG A 242 -1.330 -10.442 1.859 1.00 0.10 C ATOM 332 CG ARG A 242 -2.463 -11.116 2.647 1.00 0.10 C ATOM 333 CD ARG A 242 -3.537 -11.708 1.760 1.00 0.11 C ATOM 334 NE ARG A 242 -2.995 -12.603 0.737 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.742 -13.225 -0.173 1.00 0.35 C ATOM 336 NH1 ARG A 242 -5.061 -13.062 -0.177 1.00 0.51 N ATOM 337 NH2 ARG A 242 -3.175 -14.027 -1.067 1.00 0.43 N ATOM 0 H ARG A 242 0.425 -8.931 1.059 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.417 -9.062 0.652 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -1.103 -11.053 0.986 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.435 -10.428 2.480 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.043 -11.904 3.273 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.916 -10.385 3.316 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.250 -12.256 2.376 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -4.088 -10.902 1.276 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.987 -12.759 0.720 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.503 -12.460 0.518 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.632 -13.539 -0.875 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -2.165 -14.168 -1.058 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.750 -14.502 -1.763 1.00 0.43 H new ATOM 351 N VAL A 243 -3.046 -7.365 2.341 1.00 0.07 N ATOM 352 CA VAL A 243 -3.537 -6.479 3.341 1.00 0.08 C ATOM 353 C VAL A 243 -4.056 -7.288 4.507 1.00 0.11 C ATOM 354 O VAL A 243 -4.636 -8.343 4.312 1.00 0.14 O ATOM 355 CB VAL A 243 -4.657 -5.595 2.765 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.766 -6.429 2.164 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.222 -4.727 3.845 1.00 0.18 C ATOM 0 H VAL A 243 -3.540 -7.309 1.451 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.729 -5.830 3.680 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.225 -4.979 1.977 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.540 -5.773 1.767 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.363 -7.044 1.359 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.195 -7.072 2.932 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -6.015 -4.103 3.433 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.629 -5.353 4.639 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.434 -4.092 4.251 1.00 0.18 H new ATOM 367 N ILE A 244 -3.820 -6.829 5.719 1.00 0.12 N ATOM 368 CA ILE A 244 -4.340 -7.547 6.865 1.00 0.16 C ATOM 369 C ILE A 244 -5.107 -6.646 7.783 1.00 0.13 C ATOM 370 O ILE A 244 -5.489 -7.065 8.865 1.00 0.17 O ATOM 371 CB ILE A 244 -3.282 -8.277 7.696 1.00 0.30 C ATOM 372 CG1 ILE A 244 -1.985 -7.474 7.804 1.00 0.43 C ATOM 373 CG2 ILE A 244 -3.038 -9.652 7.125 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.744 -6.904 9.185 1.00 0.61 C ATOM 0 H ILE A 244 -3.287 -5.986 5.934 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.993 -8.299 6.422 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.662 -8.385 8.712 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.146 -8.115 7.532 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.010 -6.658 7.082 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -2.284 -10.165 7.722 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.966 -10.224 7.143 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.688 -9.562 6.097 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.807 -6.347 9.190 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.564 -6.238 9.452 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.687 -7.717 9.909 1.00 0.61 H new ATOM 386 N GLN A 245 -5.305 -5.418 7.341 1.00 0.11 N ATOM 387 CA GLN A 245 -6.140 -4.447 8.039 1.00 0.12 C ATOM 388 C GLN A 245 -6.290 -3.205 7.194 1.00 0.11 C ATOM 389 O GLN A 245 -5.401 -2.365 7.108 1.00 0.12 O ATOM 390 CB GLN A 245 -5.589 -4.101 9.428 1.00 0.15 C ATOM 391 CG GLN A 245 -6.138 -4.998 10.528 1.00 0.21 C ATOM 392 CD GLN A 245 -5.670 -4.607 11.912 1.00 0.33 C ATOM 393 OE1 GLN A 245 -4.575 -4.071 12.086 1.00 1.05 O ATOM 394 NE2 GLN A 245 -6.493 -4.881 12.908 1.00 1.20 N ATOM 0 H GLN A 245 -4.889 -5.060 6.481 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.120 -4.897 8.195 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.502 -4.180 9.411 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.829 -3.063 9.660 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.227 -4.970 10.500 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.840 -6.028 10.329 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.391 -5.326 12.720 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -6.230 -4.648 13.866 1.00 1.20 H new ATOM 403 N LYS A 246 -7.396 -3.154 6.503 1.00 0.12 N ATOM 404 CA LYS A 246 -7.746 -2.023 5.683 1.00 0.12 C ATOM 405 C LYS A 246 -9.225 -1.758 5.888 1.00 0.15 C ATOM 406 O LYS A 246 -9.954 -2.656 6.308 1.00 0.19 O ATOM 407 CB LYS A 246 -7.400 -2.374 4.246 1.00 0.12 C ATOM 408 CG LYS A 246 -7.014 -1.229 3.304 1.00 0.13 C ATOM 409 CD LYS A 246 -5.590 -1.389 2.801 1.00 0.14 C ATOM 410 CE LYS A 246 -4.597 -0.886 3.787 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.214 -1.011 3.254 1.00 0.21 N ATOM 0 H LYS A 246 -8.088 -3.904 6.492 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.202 -1.115 5.943 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.574 -3.085 4.265 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.256 -2.891 3.812 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.701 -1.203 2.458 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.114 -0.277 3.825 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.394 -2.441 2.592 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.474 -0.850 1.861 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.808 0.157 4.023 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.685 -1.447 4.717 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.536 -0.670 3.965 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.015 -2.008 3.036 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.123 -0.442 2.388 1.00 0.21 H new ATOM 425 N ARG A 247 -9.674 -0.562 5.607 1.00 0.16 N ATOM 426 CA ARG A 247 -11.068 -0.243 5.733 1.00 0.16 C ATOM 427 C ARG A 247 -11.702 -0.521 4.390 1.00 0.14 C ATOM 428 O ARG A 247 -10.979 -0.788 3.433 1.00 0.14 O ATOM 429 CB ARG A 247 -11.234 1.228 6.127 1.00 0.17 C ATOM 430 CG ARG A 247 -10.908 2.206 5.008 1.00 0.18 C ATOM 431 CD ARG A 247 -10.821 3.648 5.493 1.00 0.23 C ATOM 432 NE ARG A 247 -12.034 4.413 5.189 1.00 0.49 N ATOM 433 CZ ARG A 247 -13.083 4.528 5.997 1.00 0.63 C ATOM 434 NH1 ARG A 247 -13.097 3.923 7.177 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.114 5.268 5.618 1.00 0.63 N ATOM 0 H ARG A 247 -9.088 0.210 5.288 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.546 -0.841 6.509 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.261 1.393 6.453 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.591 1.440 6.981 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.960 1.924 4.549 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.672 2.133 4.234 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.649 3.657 6.569 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -9.962 4.134 5.029 1.00 0.23 H new ATOM 0 HE ARG A 247 -12.076 4.893 4.290 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -12.297 3.363 7.472 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -13.907 4.018 7.789 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.097 5.742 4.715 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.925 5.364 6.229 1.00 0.63 H new ATOM 449 N VAL A 248 -13.016 -0.544 4.301 1.00 0.15 N ATOM 450 CA VAL A 248 -13.632 -0.463 3.008 1.00 0.15 C ATOM 451 C VAL A 248 -14.030 0.979 2.735 1.00 0.14 C ATOM 452 O VAL A 248 -15.083 1.458 3.160 1.00 0.16 O ATOM 453 CB VAL A 248 -14.825 -1.418 2.843 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.710 -0.966 1.696 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.316 -2.822 2.578 1.00 0.21 C ATOM 0 H VAL A 248 -13.658 -0.616 5.091 1.00 0.15 H new ATOM 0 HA VAL A 248 -12.900 -0.788 2.269 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.414 -1.411 3.760 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.550 -1.653 1.592 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.084 0.037 1.899 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.132 -0.958 0.772 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.162 -3.500 2.461 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.719 -2.826 1.666 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.701 -3.150 3.416 1.00 0.21 H new ATOM 465 N PRO A 249 -13.116 1.710 2.102 1.00 0.13 N ATOM 466 CA PRO A 249 -13.330 3.032 1.628 1.00 0.15 C ATOM 467 C PRO A 249 -13.637 2.997 0.146 1.00 0.16 C ATOM 468 O PRO A 249 -14.298 2.085 -0.350 1.00 0.17 O ATOM 469 CB PRO A 249 -11.960 3.684 1.873 1.00 0.16 C ATOM 470 CG PRO A 249 -10.971 2.557 1.892 1.00 0.14 C ATOM 471 CD PRO A 249 -11.760 1.302 1.794 1.00 0.13 C ATOM 0 HA PRO A 249 -14.158 3.554 2.107 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.722 4.401 1.087 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -11.949 4.230 2.816 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.271 2.641 1.061 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.381 2.574 2.808 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.692 0.866 0.798 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.401 0.550 2.497 1.00 0.13 H new ATOM 479 N ASN A 250 -13.155 4.000 -0.535 1.00 0.17 N ATOM 480 CA ASN A 250 -13.090 4.007 -1.975 1.00 0.20 C ATOM 481 C ASN A 250 -12.201 5.143 -2.402 1.00 0.21 C ATOM 482 O ASN A 250 -11.617 5.824 -1.560 1.00 0.19 O ATOM 483 CB ASN A 250 -14.465 4.116 -2.652 1.00 0.24 C ATOM 484 CG ASN A 250 -15.365 5.169 -2.040 1.00 0.69 C ATOM 485 OD1 ASN A 250 -14.902 6.193 -1.549 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.666 4.924 -2.065 1.00 1.28 N ATOM 0 H ASN A 250 -12.791 4.848 -0.102 1.00 0.17 H new ATOM 0 HA ASN A 250 -12.682 3.048 -2.296 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.323 4.343 -3.709 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -14.964 3.149 -2.598 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -17.320 5.598 -1.667 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -17.014 4.061 -2.482 1.00 1.28 H new ATOM 493 N ALA A 251 -12.075 5.345 -3.691 1.00 0.26 N ATOM 494 CA ALA A 251 -11.242 6.414 -4.183 1.00 0.31 C ATOM 495 C ALA A 251 -11.859 7.772 -3.867 1.00 0.37 C ATOM 496 O ALA A 251 -11.176 8.794 -3.858 1.00 0.42 O ATOM 497 CB ALA A 251 -11.017 6.251 -5.671 1.00 0.39 C ATOM 0 H ALA A 251 -12.534 4.789 -4.412 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.276 6.366 -3.680 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.387 7.063 -6.035 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.526 5.297 -5.862 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -11.976 6.276 -6.189 1.00 0.39 H new ATOM 503 N TYR A 252 -13.153 7.775 -3.595 1.00 0.39 N ATOM 504 CA TYR A 252 -13.842 8.983 -3.173 1.00 0.47 C ATOM 505 C TYR A 252 -13.426 9.320 -1.756 1.00 0.46 C ATOM 506 O TYR A 252 -13.343 10.481 -1.358 1.00 0.56 O ATOM 507 CB TYR A 252 -15.355 8.776 -3.199 1.00 0.57 C ATOM 508 CG TYR A 252 -15.910 8.275 -4.510 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.198 8.378 -5.700 1.00 1.30 C ATOM 510 CD2 TYR A 252 -17.169 7.702 -4.547 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.735 7.925 -6.889 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.711 7.242 -5.729 1.00 1.76 C ATOM 513 CZ TYR A 252 -16.991 7.357 -6.898 1.00 1.98 C ATOM 514 OH TYR A 252 -17.535 6.908 -8.077 1.00 2.53 O ATOM 0 H TYR A 252 -13.750 6.950 -3.659 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.579 9.791 -3.855 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.623 8.068 -2.415 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.840 9.721 -2.954 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -14.212 8.818 -5.694 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.738 7.613 -3.633 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -15.174 8.015 -7.807 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.694 6.794 -5.738 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.425 6.535 -7.906 1.00 2.53 H new ATOM 524 N ASP A 253 -13.139 8.266 -1.019 1.00 0.40 N ATOM 525 CA ASP A 253 -12.834 8.330 0.380 1.00 0.43 C ATOM 526 C ASP A 253 -11.383 8.624 0.556 1.00 0.38 C ATOM 527 O ASP A 253 -10.600 7.711 0.819 1.00 0.34 O ATOM 528 CB ASP A 253 -13.087 6.957 0.960 1.00 0.44 C ATOM 529 CG ASP A 253 -13.781 6.964 2.310 1.00 0.56 C ATOM 530 OD1 ASP A 253 -14.959 7.388 2.382 1.00 0.80 O ATOM 531 OD2 ASP A 253 -13.142 6.584 3.311 1.00 0.88 O ATOM 0 H ASP A 253 -13.113 7.318 -1.396 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.437 9.099 0.863 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.693 6.385 0.257 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.134 6.436 1.058 1.00 0.44 H new ATOM 536 N LYS A 254 -11.014 9.882 0.401 1.00 0.43 N ATOM 537 CA LYS A 254 -9.648 10.297 0.649 1.00 0.41 C ATOM 538 C LYS A 254 -8.684 9.586 -0.284 1.00 0.31 C ATOM 539 O LYS A 254 -7.480 9.705 -0.138 1.00 0.28 O ATOM 540 CB LYS A 254 -9.330 9.967 2.093 1.00 0.45 C ATOM 541 CG LYS A 254 -10.391 10.511 3.014 1.00 0.60 C ATOM 542 CD LYS A 254 -10.284 9.960 4.422 1.00 0.74 C ATOM 543 CE LYS A 254 -11.010 8.629 4.545 1.00 0.79 C ATOM 544 NZ LYS A 254 -11.033 8.137 5.945 1.00 1.32 N ATOM 0 H LYS A 254 -11.640 10.631 0.105 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.540 11.366 0.465 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.255 8.886 2.216 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.360 10.386 2.361 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -10.315 11.598 3.047 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.375 10.273 2.609 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -9.235 9.831 4.687 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.706 10.675 5.129 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -12.032 8.738 4.182 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.523 7.890 3.909 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -11.537 7.228 5.985 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -10.058 8.008 6.284 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -11.520 8.830 6.548 1.00 1.32 H new ATOM 558 N THR A 255 -9.255 8.866 -1.240 1.00 0.28 N ATOM 559 CA THR A 255 -8.562 7.895 -2.054 1.00 0.22 C ATOM 560 C THR A 255 -7.964 6.856 -1.137 1.00 0.15 C ATOM 561 O THR A 255 -6.839 6.984 -0.655 1.00 0.14 O ATOM 562 CB THR A 255 -7.502 8.467 -3.052 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.517 9.275 -2.396 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.171 9.285 -4.144 1.00 0.55 C ATOM 0 H THR A 255 -10.245 8.949 -1.472 1.00 0.28 H new ATOM 0 HA THR A 255 -9.305 7.458 -2.721 1.00 0.22 H new ATOM 0 HB THR A 255 -6.999 7.606 -3.493 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.589 9.155 -1.426 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.413 9.672 -4.825 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.867 8.654 -4.696 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.713 10.117 -3.695 1.00 0.55 H new ATOM 572 N ALA A 256 -8.825 5.930 -0.759 1.00 0.13 N ATOM 573 CA ALA A 256 -8.459 4.820 0.078 1.00 0.11 C ATOM 574 C ALA A 256 -8.831 3.474 -0.555 1.00 0.10 C ATOM 575 O ALA A 256 -9.673 3.394 -1.451 1.00 0.12 O ATOM 576 CB ALA A 256 -9.061 5.033 1.447 1.00 0.13 C ATOM 0 H ALA A 256 -9.808 5.934 -1.032 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.375 4.777 0.185 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.793 4.199 2.096 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.679 5.961 1.872 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.146 5.093 1.362 1.00 0.13 H new ATOM 582 N LEU A 257 -8.203 2.427 -0.047 1.00 0.10 N ATOM 583 CA LEU A 257 -8.265 1.082 -0.626 1.00 0.09 C ATOM 584 C LEU A 257 -9.416 0.262 -0.111 1.00 0.09 C ATOM 585 O LEU A 257 -9.439 -0.091 1.063 1.00 0.11 O ATOM 586 CB LEU A 257 -6.995 0.334 -0.248 1.00 0.11 C ATOM 587 CG LEU A 257 -5.795 0.507 -1.122 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.185 0.713 -2.560 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.968 1.654 -0.595 1.00 0.21 C ATOM 0 H LEU A 257 -7.625 2.481 0.792 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.387 1.212 -1.701 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.719 0.634 0.763 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.232 -0.729 -0.211 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.196 -0.403 -1.096 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.288 0.835 -3.166 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.746 -0.153 -2.912 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.804 1.606 -2.645 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.089 1.789 -1.226 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.564 2.566 -0.603 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.652 1.436 0.425 1.00 0.21 H new ATOM 601 N ALA A 258 -10.324 -0.119 -0.999 1.00 0.10 N ATOM 602 CA ALA A 258 -11.435 -0.952 -0.591 1.00 0.11 C ATOM 603 C ALA A 258 -11.039 -2.398 -0.582 1.00 0.11 C ATOM 604 O ALA A 258 -11.070 -3.079 -1.609 1.00 0.14 O ATOM 605 CB ALA A 258 -12.603 -0.759 -1.500 1.00 0.14 C ATOM 0 H ALA A 258 -10.311 0.132 -1.988 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.719 -0.656 0.419 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.426 -1.395 -1.175 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.917 0.284 -1.472 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.320 -1.025 -2.518 1.00 0.14 H new ATOM 611 N LEU A 259 -10.653 -2.850 0.581 1.00 0.10 N ATOM 612 CA LEU A 259 -10.287 -4.228 0.772 1.00 0.12 C ATOM 613 C LEU A 259 -10.434 -4.618 2.234 1.00 0.12 C ATOM 614 O LEU A 259 -10.592 -3.760 3.101 1.00 0.12 O ATOM 615 CB LEU A 259 -8.852 -4.464 0.306 1.00 0.14 C ATOM 616 CG LEU A 259 -8.041 -3.190 0.098 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.704 -3.303 0.763 1.00 0.49 C ATOM 618 CD2 LEU A 259 -7.868 -2.902 -1.370 1.00 0.55 C ATOM 0 H LEU A 259 -10.583 -2.275 1.421 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.956 -4.850 0.177 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.343 -5.089 1.039 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.874 -5.023 -0.629 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.588 -2.363 0.551 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -6.140 -2.384 0.604 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.842 -3.463 1.832 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.156 -4.144 0.338 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.286 -1.989 -1.496 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.346 -3.733 -1.845 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -8.846 -2.776 -1.834 1.00 0.55 H new ATOM 630 N GLU A 260 -10.365 -5.907 2.506 1.00 0.15 N ATOM 631 CA GLU A 260 -10.521 -6.402 3.865 1.00 0.16 C ATOM 632 C GLU A 260 -9.200 -6.955 4.368 1.00 0.15 C ATOM 633 O GLU A 260 -8.253 -7.127 3.615 1.00 0.16 O ATOM 634 CB GLU A 260 -11.624 -7.480 3.918 1.00 0.21 C ATOM 635 CG GLU A 260 -11.544 -8.442 5.102 1.00 0.23 C ATOM 636 CD GLU A 260 -12.876 -8.674 5.781 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.292 -7.821 6.598 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.509 -9.714 5.517 1.00 0.92 O ATOM 0 H GLU A 260 -10.202 -6.632 1.807 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.821 -5.578 4.513 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.594 -6.983 3.941 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.585 -8.061 2.996 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.149 -9.398 4.758 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.836 -8.049 5.832 1.00 0.23 H new ATOM 645 N VAL A 261 -9.121 -7.155 5.653 1.00 0.16 N ATOM 646 CA VAL A 261 -8.090 -7.964 6.241 1.00 0.16 C ATOM 647 C VAL A 261 -7.950 -9.312 5.533 1.00 0.17 C ATOM 648 O VAL A 261 -8.902 -10.088 5.452 1.00 0.21 O ATOM 649 CB VAL A 261 -8.442 -8.220 7.700 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.461 -9.180 8.344 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.521 -6.903 8.421 1.00 0.18 C ATOM 0 H VAL A 261 -9.775 -6.758 6.328 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.146 -7.428 6.146 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.416 -8.705 7.764 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.740 -9.342 9.385 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.480 -10.131 7.811 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.457 -8.759 8.299 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.773 -7.076 9.467 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.558 -6.396 8.358 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.289 -6.282 7.961 1.00 0.18 H new ATOM 661 N GLY A 262 -6.766 -9.577 5.015 1.00 0.17 N ATOM 662 CA GLY A 262 -6.488 -10.852 4.403 1.00 0.18 C ATOM 663 C GLY A 262 -6.655 -10.810 2.922 1.00 0.17 C ATOM 664 O GLY A 262 -6.475 -11.808 2.222 1.00 0.19 O ATOM 0 H GLY A 262 -5.984 -8.922 5.008 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.469 -11.155 4.644 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.153 -11.607 4.821 1.00 0.18 H new ATOM 668 N GLU A 263 -7.026 -9.653 2.455 1.00 0.16 N ATOM 669 CA GLU A 263 -7.144 -9.393 1.057 1.00 0.17 C ATOM 670 C GLU A 263 -5.795 -8.964 0.511 1.00 0.13 C ATOM 671 O GLU A 263 -4.766 -9.273 1.090 1.00 0.11 O ATOM 672 CB GLU A 263 -8.227 -8.349 0.942 1.00 0.18 C ATOM 673 CG GLU A 263 -9.483 -8.856 1.623 1.00 0.21 C ATOM 674 CD GLU A 263 -10.423 -9.583 0.692 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.162 -10.764 0.383 1.00 0.75 O ATOM 676 OE2 GLU A 263 -11.428 -8.978 0.265 1.00 0.84 O ATOM 0 H GLU A 263 -7.257 -8.855 3.047 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.422 -10.262 0.461 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.900 -7.417 1.403 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.430 -8.132 -0.107 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.201 -9.525 2.436 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -10.009 -8.013 2.071 1.00 0.21 H new ATOM 683 N LEU A 264 -5.782 -8.253 -0.573 1.00 0.17 N ATOM 684 CA LEU A 264 -4.524 -7.898 -1.208 1.00 0.18 C ATOM 685 C LEU A 264 -4.594 -6.465 -1.690 1.00 0.17 C ATOM 686 O LEU A 264 -5.671 -5.898 -1.845 1.00 0.31 O ATOM 687 CB LEU A 264 -4.328 -8.884 -2.350 1.00 0.48 C ATOM 688 CG LEU A 264 -2.955 -9.065 -3.026 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.612 -7.913 -3.919 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.841 -9.276 -2.036 1.00 0.83 C ATOM 0 H LEU A 264 -6.616 -7.902 -1.044 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.677 -7.957 -0.524 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.631 -9.863 -1.980 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -5.034 -8.607 -3.133 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.050 -9.967 -3.630 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.636 -8.083 -4.374 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -3.366 -7.822 -4.701 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.584 -6.994 -3.333 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.898 -9.397 -2.569 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.775 -8.413 -1.374 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.042 -10.171 -1.447 1.00 0.83 H new ATOM 702 N VAL A 265 -3.436 -5.898 -1.873 1.00 0.19 N ATOM 703 CA VAL A 265 -3.276 -4.527 -2.290 1.00 0.19 C ATOM 704 C VAL A 265 -1.972 -4.415 -3.057 1.00 0.24 C ATOM 705 O VAL A 265 -1.195 -5.358 -3.084 1.00 0.47 O ATOM 706 CB VAL A 265 -3.249 -3.601 -1.048 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.854 -3.445 -0.486 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.803 -2.230 -1.299 1.00 0.27 C ATOM 0 H VAL A 265 -2.551 -6.386 -1.734 1.00 0.19 H new ATOM 0 HA VAL A 265 -4.108 -4.224 -2.926 1.00 0.19 H new ATOM 0 HB VAL A 265 -3.894 -4.106 -0.329 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -1.883 -2.788 0.383 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.470 -4.421 -0.190 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.202 -3.013 -1.245 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.749 -1.642 -0.382 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -3.221 -1.739 -2.079 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.842 -2.310 -1.618 1.00 0.27 H new ATOM 718 N LYS A 266 -1.734 -3.305 -3.697 1.00 0.14 N ATOM 719 CA LYS A 266 -0.439 -3.056 -4.265 1.00 0.15 C ATOM 720 C LYS A 266 -0.001 -1.681 -3.874 1.00 0.32 C ATOM 721 O LYS A 266 -0.827 -0.828 -3.617 1.00 0.74 O ATOM 722 CB LYS A 266 -0.464 -3.214 -5.784 1.00 0.26 C ATOM 723 CG LYS A 266 0.924 -3.389 -6.368 1.00 0.42 C ATOM 724 CD LYS A 266 1.032 -2.940 -7.820 1.00 0.57 C ATOM 725 CE LYS A 266 -0.018 -3.582 -8.722 1.00 0.96 C ATOM 726 NZ LYS A 266 0.358 -4.966 -9.122 1.00 1.84 N ATOM 0 H LYS A 266 -2.417 -2.561 -3.838 1.00 0.14 H new ATOM 0 HA LYS A 266 0.272 -3.787 -3.881 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -1.078 -4.076 -6.047 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -0.936 -2.338 -6.230 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.637 -2.824 -5.767 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.210 -4.439 -6.298 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.930 -1.856 -7.868 1.00 0.57 H new ATOM 0 HD3 LYS A 266 2.025 -3.184 -8.197 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -0.977 -3.603 -8.204 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -0.151 -2.971 -9.615 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 0.062 -5.136 -10.104 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 1.389 -5.081 -9.046 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 -0.114 -5.649 -8.495 1.00 1.84 H new ATOM 740 N VAL A 267 1.282 -1.481 -3.728 1.00 0.14 N ATOM 741 CA VAL A 267 1.761 -0.154 -3.523 1.00 0.16 C ATOM 742 C VAL A 267 2.532 0.307 -4.741 1.00 0.20 C ATOM 743 O VAL A 267 3.609 -0.193 -5.061 1.00 0.23 O ATOM 744 CB VAL A 267 2.583 0.002 -2.243 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.887 -0.778 -2.291 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.797 1.472 -1.996 1.00 0.22 C ATOM 0 H VAL A 267 1.996 -2.209 -3.748 1.00 0.14 H new ATOM 0 HA VAL A 267 0.891 0.488 -3.386 1.00 0.16 H new ATOM 0 HB VAL A 267 2.033 -0.427 -1.405 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.432 -0.633 -1.358 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.672 -1.838 -2.425 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.493 -0.423 -3.124 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.382 1.607 -1.086 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.332 1.909 -2.839 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.832 1.966 -1.883 1.00 0.22 H new ATOM 756 N THR A 268 1.946 1.278 -5.398 1.00 0.21 N ATOM 757 CA THR A 268 2.342 1.700 -6.707 1.00 0.24 C ATOM 758 C THR A 268 2.551 3.206 -6.756 1.00 0.24 C ATOM 759 O THR A 268 2.947 3.753 -7.780 1.00 0.35 O ATOM 760 CB THR A 268 1.217 1.346 -7.691 1.00 0.26 C ATOM 761 OG1 THR A 268 1.526 1.803 -9.013 1.00 0.31 O ATOM 762 CG2 THR A 268 -0.091 1.970 -7.205 1.00 0.24 C ATOM 0 H THR A 268 1.160 1.807 -5.021 1.00 0.21 H new ATOM 0 HA THR A 268 3.276 1.202 -6.966 1.00 0.24 H new ATOM 0 HB THR A 268 1.112 0.262 -7.731 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.057 2.625 -8.959 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.893 1.722 -7.900 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.334 1.581 -6.216 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.020 3.053 -7.151 1.00 0.24 H new ATOM 770 N LYS A 269 2.264 3.893 -5.670 1.00 0.20 N ATOM 771 CA LYS A 269 2.264 5.327 -5.718 1.00 0.23 C ATOM 772 C LYS A 269 3.221 5.871 -4.683 1.00 0.28 C ATOM 773 O LYS A 269 2.913 5.932 -3.511 1.00 0.45 O ATOM 774 CB LYS A 269 0.849 5.840 -5.462 1.00 0.25 C ATOM 775 CG LYS A 269 0.620 7.307 -5.796 1.00 0.49 C ATOM 776 CD LYS A 269 1.243 7.714 -7.123 1.00 0.59 C ATOM 777 CE LYS A 269 2.387 8.678 -6.880 1.00 0.49 C ATOM 778 NZ LYS A 269 1.890 9.949 -6.292 1.00 1.40 N ATOM 0 H LYS A 269 2.033 3.486 -4.764 1.00 0.20 H new ATOM 0 HA LYS A 269 2.590 5.664 -6.702 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.151 5.238 -6.044 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.607 5.681 -4.411 1.00 0.25 H new ATOM 0 HG2 LYS A 269 -0.451 7.505 -5.827 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.035 7.925 -5.000 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.605 6.832 -7.651 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.491 8.181 -7.760 1.00 0.59 H new ATOM 0 HE2 LYS A 269 3.116 8.223 -6.210 1.00 0.49 H new ATOM 0 HE3 LYS A 269 2.901 8.883 -7.819 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 2.688 10.601 -6.150 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 1.199 10.383 -6.937 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 1.435 9.754 -5.377 1.00 1.40 H new ATOM 792 N ILE A 270 4.391 6.248 -5.105 1.00 0.31 N ATOM 793 CA ILE A 270 5.330 6.840 -4.183 1.00 0.34 C ATOM 794 C ILE A 270 5.182 8.357 -4.162 1.00 0.38 C ATOM 795 O ILE A 270 5.599 9.048 -5.087 1.00 0.42 O ATOM 796 CB ILE A 270 6.792 6.445 -4.475 1.00 0.39 C ATOM 797 CG1 ILE A 270 6.934 5.707 -5.812 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.309 5.563 -3.351 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.612 6.527 -7.047 1.00 1.44 C ATOM 0 H ILE A 270 4.721 6.161 -6.066 1.00 0.31 H new ATOM 0 HA ILE A 270 5.088 6.442 -3.198 1.00 0.34 H new ATOM 0 HB ILE A 270 7.378 7.362 -4.540 1.00 0.39 H new ATOM 0 HG12 ILE A 270 7.957 5.339 -5.898 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.282 4.834 -5.796 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.342 5.282 -3.555 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.260 6.109 -2.409 1.00 0.61 H new ATOM 0 HG23 ILE A 270 6.696 4.665 -3.282 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.744 5.912 -7.937 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.580 6.873 -6.995 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.281 7.386 -7.098 1.00 1.44 H new ATOM 811 N ASN A 271 4.550 8.858 -3.108 1.00 0.40 N ATOM 812 CA ASN A 271 4.290 10.278 -2.964 1.00 0.47 C ATOM 813 C ASN A 271 4.349 10.728 -1.492 1.00 0.49 C ATOM 814 O ASN A 271 4.564 9.907 -0.606 1.00 0.51 O ATOM 815 CB ASN A 271 2.922 10.562 -3.556 1.00 0.52 C ATOM 816 CG ASN A 271 1.812 9.690 -2.978 1.00 0.57 C ATOM 817 OD1 ASN A 271 0.851 9.402 -3.673 1.00 0.94 O ATOM 818 ND2 ASN A 271 1.926 9.250 -1.728 1.00 0.46 N ATOM 0 H ASN A 271 4.206 8.291 -2.333 1.00 0.40 H new ATOM 0 HA ASN A 271 5.061 10.841 -3.490 1.00 0.47 H new ATOM 0 HB2 ASN A 271 2.674 11.610 -3.388 1.00 0.52 H new ATOM 0 HB3 ASN A 271 2.965 10.413 -4.635 1.00 0.52 H new ATOM 0 HD21 ASN A 271 1.199 8.656 -1.328 1.00 0.46 H new ATOM 0 HD22 ASN A 271 2.740 9.506 -1.169 1.00 0.46 H new ATOM 825 N MET A 272 4.089 12.025 -1.252 1.00 0.55 N ATOM 826 CA MET A 272 4.134 12.655 0.093 1.00 0.61 C ATOM 827 C MET A 272 5.382 12.286 0.912 1.00 0.57 C ATOM 828 O MET A 272 6.354 11.740 0.384 1.00 0.59 O ATOM 829 CB MET A 272 2.837 12.435 0.915 1.00 0.78 C ATOM 830 CG MET A 272 2.045 11.189 0.588 1.00 0.63 C ATOM 831 SD MET A 272 0.512 11.074 1.531 1.00 0.77 S ATOM 832 CE MET A 272 -0.171 9.552 0.883 1.00 0.59 C ATOM 0 H MET A 272 3.838 12.680 -1.992 1.00 0.55 H new ATOM 0 HA MET A 272 4.207 13.722 -0.115 1.00 0.61 H new ATOM 0 HB2 MET A 272 3.102 12.406 1.972 1.00 0.78 H new ATOM 0 HB3 MET A 272 2.190 13.300 0.772 1.00 0.78 H new ATOM 0 HG2 MET A 272 1.814 11.179 -0.477 1.00 0.63 H new ATOM 0 HG3 MET A 272 2.658 10.310 0.789 1.00 0.63 H new ATOM 0 HE1 MET A 272 -0.854 9.120 1.614 1.00 0.59 H new ATOM 0 HE2 MET A 272 -0.712 9.760 -0.040 1.00 0.59 H new ATOM 0 HE3 MET A 272 0.636 8.848 0.680 1.00 0.59 H new ATOM 842 N SER A 273 5.366 12.643 2.194 1.00 0.68 N ATOM 843 CA SER A 273 6.553 12.593 3.024 1.00 0.75 C ATOM 844 C SER A 273 6.445 11.619 4.203 1.00 0.85 C ATOM 845 O SER A 273 7.215 11.726 5.160 1.00 1.04 O ATOM 846 CB SER A 273 6.794 14.000 3.551 1.00 0.89 C ATOM 847 OG SER A 273 5.567 14.601 3.945 1.00 1.24 O ATOM 0 H SER A 273 4.531 12.973 2.679 1.00 0.68 H new ATOM 0 HA SER A 273 7.378 12.228 2.412 1.00 0.75 H new ATOM 0 HB2 SER A 273 7.477 13.965 4.399 1.00 0.89 H new ATOM 0 HB3 SER A 273 7.272 14.606 2.781 1.00 0.89 H new ATOM 0 HG SER A 273 5.739 15.505 4.283 1.00 1.24 H new ATOM 853 N GLY A 274 5.521 10.667 4.151 1.00 0.80 N ATOM 854 CA GLY A 274 5.402 9.735 5.268 1.00 0.97 C ATOM 855 C GLY A 274 4.644 8.475 4.916 1.00 0.85 C ATOM 856 O GLY A 274 5.099 7.372 5.210 1.00 1.00 O ATOM 0 H GLY A 274 4.867 10.521 3.382 1.00 0.80 H new ATOM 0 HA2 GLY A 274 6.399 9.466 5.616 1.00 0.97 H new ATOM 0 HA3 GLY A 274 4.899 10.234 6.097 1.00 0.97 H new ATOM 860 N GLN A 275 3.494 8.626 4.283 1.00 0.69 N ATOM 861 CA GLN A 275 2.723 7.479 3.835 1.00 0.58 C ATOM 862 C GLN A 275 2.499 7.573 2.352 1.00 0.47 C ATOM 863 O GLN A 275 2.627 8.644 1.775 1.00 0.48 O ATOM 864 CB GLN A 275 1.411 7.353 4.603 1.00 0.64 C ATOM 865 CG GLN A 275 1.587 6.556 5.885 1.00 0.79 C ATOM 866 CD GLN A 275 2.258 5.220 5.621 1.00 1.11 C ATOM 867 OE1 GLN A 275 2.085 4.627 4.558 1.00 1.87 O ATOM 868 NE2 GLN A 275 3.039 4.742 6.576 1.00 1.33 N ATOM 0 H GLN A 275 3.074 9.530 4.068 1.00 0.69 H new ATOM 0 HA GLN A 275 3.288 6.570 4.042 1.00 0.58 H new ATOM 0 HB2 GLN A 275 1.031 8.347 4.841 1.00 0.64 H new ATOM 0 HB3 GLN A 275 0.665 6.869 3.973 1.00 0.64 H new ATOM 0 HG2 GLN A 275 2.184 7.131 6.593 1.00 0.79 H new ATOM 0 HG3 GLN A 275 0.614 6.391 6.349 1.00 0.79 H new ATOM 0 HE21 GLN A 275 3.159 5.262 7.445 1.00 1.33 H new ATOM 0 HE22 GLN A 275 3.522 3.853 6.443 1.00 1.33 H new ATOM 877 N TRP A 276 2.217 6.453 1.726 1.00 0.41 N ATOM 878 CA TRP A 276 2.122 6.423 0.286 1.00 0.33 C ATOM 879 C TRP A 276 0.821 5.765 -0.147 1.00 0.23 C ATOM 880 O TRP A 276 0.013 5.361 0.689 1.00 0.22 O ATOM 881 CB TRP A 276 3.331 5.704 -0.335 1.00 0.41 C ATOM 882 CG TRP A 276 4.632 5.863 0.428 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.958 5.294 1.625 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.781 6.622 0.040 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.232 5.648 1.994 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.755 6.467 1.036 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.076 7.414 -1.051 1.00 0.52 C ATOM 888 CZ2 TRP A 276 8.004 7.081 0.956 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.312 8.026 -1.132 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.262 7.856 -0.131 1.00 0.82 C ATOM 0 H TRP A 276 2.051 5.559 2.187 1.00 0.41 H new ATOM 0 HA TRP A 276 2.126 7.451 -0.075 1.00 0.33 H new ATOM 0 HB2 TRP A 276 3.101 4.641 -0.415 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.474 6.076 -1.349 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.305 4.655 2.201 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.709 5.348 2.844 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.347 7.554 -1.835 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.743 6.946 1.732 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.544 8.646 -1.986 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.220 8.347 -0.218 1.00 0.82 H new ATOM 901 N GLU A 277 0.633 5.664 -1.452 1.00 0.19 N ATOM 902 CA GLU A 277 -0.601 5.213 -2.030 1.00 0.16 C ATOM 903 C GLU A 277 -0.404 3.892 -2.698 1.00 0.19 C ATOM 904 O GLU A 277 0.709 3.420 -2.830 1.00 0.48 O ATOM 905 CB GLU A 277 -1.136 6.265 -2.997 1.00 0.15 C ATOM 906 CG GLU A 277 -1.978 7.302 -2.294 1.00 0.23 C ATOM 907 CD GLU A 277 -2.182 8.574 -3.089 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.698 8.505 -4.221 1.00 0.92 O ATOM 909 OE2 GLU A 277 -1.846 9.657 -2.567 1.00 1.03 O ATOM 0 H GLU A 277 1.348 5.898 -2.140 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.344 5.075 -1.244 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.301 6.755 -3.498 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.731 5.778 -3.770 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.952 6.869 -2.065 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.508 7.552 -1.343 1.00 0.23 H new ATOM 916 N GLY A 278 -1.500 3.304 -3.081 1.00 0.39 N ATOM 917 CA GLY A 278 -1.506 1.994 -3.616 1.00 0.34 C ATOM 918 C GLY A 278 -2.614 1.848 -4.612 1.00 0.28 C ATOM 919 O GLY A 278 -3.380 2.783 -4.833 1.00 0.32 O ATOM 0 H GLY A 278 -2.422 3.736 -3.025 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.549 1.783 -4.093 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.630 1.266 -2.814 1.00 0.34 H new ATOM 923 N GLU A 279 -2.705 0.685 -5.191 1.00 0.22 N ATOM 924 CA GLU A 279 -3.761 0.358 -6.087 1.00 0.18 C ATOM 925 C GLU A 279 -3.987 -1.131 -5.982 1.00 0.13 C ATOM 926 O GLU A 279 -3.102 -1.934 -6.262 1.00 0.14 O ATOM 927 CB GLU A 279 -3.446 0.741 -7.524 1.00 0.25 C ATOM 928 CG GLU A 279 -4.704 0.793 -8.357 1.00 0.27 C ATOM 929 CD GLU A 279 -4.712 -0.197 -9.498 1.00 0.66 C ATOM 930 OE1 GLU A 279 -5.040 -1.372 -9.260 1.00 0.99 O ATOM 931 OE2 GLU A 279 -4.410 0.206 -10.640 1.00 1.08 O ATOM 0 H GLU A 279 -2.034 -0.070 -5.047 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.653 0.921 -5.812 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -2.951 1.712 -7.545 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.751 0.019 -7.953 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.564 0.602 -7.715 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.823 1.799 -8.759 1.00 0.27 H new ATOM 938 N CYS A 280 -5.135 -1.486 -5.498 1.00 0.10 N ATOM 939 CA CYS A 280 -5.511 -2.863 -5.377 1.00 0.12 C ATOM 940 C CYS A 280 -6.478 -3.223 -6.470 1.00 0.15 C ATOM 941 O CYS A 280 -7.679 -3.063 -6.296 1.00 0.19 O ATOM 942 CB CYS A 280 -6.178 -3.080 -4.044 1.00 0.17 C ATOM 943 SG CYS A 280 -7.103 -4.613 -3.916 1.00 1.52 S ATOM 0 H CYS A 280 -5.843 -0.827 -5.173 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.621 -3.487 -5.456 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -5.417 -3.063 -3.264 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -6.852 -2.246 -3.849 1.00 0.17 H new ATOM 0 HG CYS A 280 -6.719 -5.265 -2.859 1.00 1.52 H new ATOM 949 N ASN A 281 -5.949 -3.689 -7.586 1.00 0.18 N ATOM 950 CA ASN A 281 -6.759 -4.133 -8.717 1.00 0.25 C ATOM 951 C ASN A 281 -7.982 -3.231 -8.923 1.00 0.23 C ATOM 952 O ASN A 281 -9.087 -3.706 -9.192 1.00 0.32 O ATOM 953 CB ASN A 281 -7.170 -5.594 -8.525 1.00 0.33 C ATOM 954 CG ASN A 281 -5.973 -6.506 -8.288 1.00 0.48 C ATOM 955 OD1 ASN A 281 -6.097 -7.550 -7.647 1.00 1.04 O ATOM 956 ND2 ASN A 281 -4.798 -6.109 -8.773 1.00 0.69 N ATOM 0 H ASN A 281 -4.944 -3.773 -7.739 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.155 -4.059 -9.621 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -7.854 -5.668 -7.679 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -7.714 -5.935 -9.406 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -3.964 -6.676 -8.618 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -4.732 -5.238 -9.300 1.00 0.69 H new ATOM 963 N GLY A 282 -7.758 -1.922 -8.813 1.00 0.17 N ATOM 964 CA GLY A 282 -8.794 -0.951 -9.081 1.00 0.18 C ATOM 965 C GLY A 282 -9.325 -0.231 -7.848 1.00 0.16 C ATOM 966 O GLY A 282 -10.275 0.545 -7.946 1.00 0.28 O ATOM 0 H GLY A 282 -6.862 -1.518 -8.539 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.406 -0.209 -9.779 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.624 -1.453 -9.578 1.00 0.18 H new ATOM 970 N LYS A 283 -8.724 -0.469 -6.692 1.00 0.10 N ATOM 971 CA LYS A 283 -8.865 0.458 -5.580 1.00 0.10 C ATOM 972 C LYS A 283 -7.562 1.186 -5.466 1.00 0.09 C ATOM 973 O LYS A 283 -6.530 0.625 -5.781 1.00 0.12 O ATOM 974 CB LYS A 283 -9.145 -0.186 -4.211 1.00 0.11 C ATOM 975 CG LYS A 283 -10.340 -1.123 -4.150 1.00 0.15 C ATOM 976 CD LYS A 283 -10.071 -2.429 -4.867 1.00 0.14 C ATOM 977 CE LYS A 283 -11.315 -3.267 -4.995 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.171 -4.322 -6.033 1.00 0.38 N ATOM 0 H LYS A 283 -8.142 -1.284 -6.501 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.729 1.085 -5.802 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.258 -0.739 -3.903 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.294 0.609 -3.481 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.590 -1.325 -3.108 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.207 -0.636 -4.597 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.669 -2.222 -5.859 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.310 -2.990 -4.325 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.540 -3.731 -4.035 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.160 -2.626 -5.245 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.049 -4.876 -6.089 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -10.982 -3.879 -6.955 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.381 -4.950 -5.782 1.00 0.38 H new ATOM 992 N ARG A 284 -7.593 2.414 -5.032 1.00 0.07 N ATOM 993 CA ARG A 284 -6.369 3.161 -4.828 1.00 0.09 C ATOM 994 C ARG A 284 -6.473 3.975 -3.566 1.00 0.11 C ATOM 995 O ARG A 284 -7.572 4.350 -3.165 1.00 0.13 O ATOM 996 CB ARG A 284 -6.081 4.071 -6.001 1.00 0.11 C ATOM 997 CG ARG A 284 -6.331 3.385 -7.314 1.00 0.20 C ATOM 998 CD ARG A 284 -5.665 4.120 -8.451 1.00 0.35 C ATOM 999 NE ARG A 284 -6.073 3.607 -9.761 1.00 0.68 N ATOM 1000 CZ ARG A 284 -6.984 4.190 -10.540 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -7.566 5.322 -10.156 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -7.300 3.648 -11.710 1.00 1.46 N ATOM 0 H ARG A 284 -8.448 2.925 -4.811 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.548 2.450 -4.739 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.705 4.962 -5.932 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.044 4.404 -5.957 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -5.956 2.362 -7.270 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.404 3.324 -7.496 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.909 5.181 -8.387 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.583 4.035 -8.351 1.00 0.35 H new ATOM 0 HE ARG A 284 -5.633 2.751 -10.098 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -7.316 5.747 -9.263 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -8.263 5.766 -10.754 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -6.846 2.786 -12.012 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -7.997 4.093 -12.307 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.350 4.265 -2.948 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.398 5.006 -1.720 1.00 0.14 C ATOM 1018 C GLY A 285 -4.166 4.863 -0.862 1.00 0.15 C ATOM 1019 O GLY A 285 -3.277 4.105 -1.183 1.00 0.24 O ATOM 0 H GLY A 285 -4.418 4.005 -3.269 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.545 6.061 -1.951 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.266 4.681 -1.146 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.138 5.554 0.262 1.00 0.11 N ATOM 1024 CA HIS A 286 -2.945 5.633 1.080 1.00 0.12 C ATOM 1025 C HIS A 286 -3.182 5.023 2.425 1.00 0.12 C ATOM 1026 O HIS A 286 -4.230 5.243 3.028 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.507 7.086 1.257 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.637 8.074 1.305 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.569 8.126 2.323 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.983 9.046 0.435 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.437 9.087 2.068 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -5.101 9.662 0.930 1.00 0.23 N ATOM 0 H HIS A 286 -4.935 6.072 0.631 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.157 5.079 0.570 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.929 7.169 2.177 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.841 7.354 0.437 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.472 9.293 -0.484 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -6.280 9.357 2.687 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.594 10.439 0.490 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.173 4.321 2.917 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.346 3.440 4.060 1.00 0.11 C ATOM 1043 C PHE A 287 -1.003 2.861 4.498 1.00 0.15 C ATOM 1044 O PHE A 287 -0.316 2.230 3.697 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.279 2.276 3.703 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.762 2.527 3.836 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.289 3.292 4.872 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.633 1.988 2.904 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.649 3.508 4.966 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -6.992 2.203 2.994 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.500 2.964 4.026 1.00 0.12 C ATOM 0 H PHE A 287 -1.225 4.345 2.542 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.778 4.028 4.870 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.075 1.981 2.674 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.020 1.427 4.335 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.627 3.721 5.610 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.242 1.390 2.094 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.047 4.103 5.775 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.657 1.776 2.258 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.564 3.134 4.098 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.626 3.062 5.771 1.00 0.17 N ATOM 1062 CA PRO A 288 0.619 2.535 6.351 1.00 0.23 C ATOM 1063 C PRO A 288 0.842 1.040 6.096 1.00 0.18 C ATOM 1064 O PRO A 288 -0.103 0.258 5.954 1.00 0.16 O ATOM 1065 CB PRO A 288 0.457 2.839 7.864 1.00 0.35 C ATOM 1066 CG PRO A 288 -0.973 3.202 8.035 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.346 3.870 6.757 1.00 0.23 C ATOM 0 HA PRO A 288 1.498 2.995 5.899 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.719 1.972 8.470 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.110 3.654 8.174 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.587 2.320 8.215 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.114 3.868 8.886 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.423 3.856 6.588 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.034 4.914 6.736 1.00 0.23 H new ATOM 1075 N PHE A 289 2.114 0.658 6.040 1.00 0.23 N ATOM 1076 CA PHE A 289 2.510 -0.754 5.907 1.00 0.26 C ATOM 1077 C PHE A 289 2.164 -1.475 7.189 1.00 0.23 C ATOM 1078 O PHE A 289 2.098 -2.703 7.263 1.00 0.26 O ATOM 1079 CB PHE A 289 4.006 -0.867 5.624 1.00 0.38 C ATOM 1080 CG PHE A 289 4.596 -2.216 5.923 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.538 -3.224 4.990 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.214 -2.465 7.132 1.00 0.32 C ATOM 1083 CE1 PHE A 289 5.088 -4.465 5.249 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.762 -3.701 7.403 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.702 -4.704 6.458 1.00 0.26 C ATOM 0 H PHE A 289 2.900 1.307 6.085 1.00 0.23 H new ATOM 0 HA PHE A 289 1.976 -1.206 5.072 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.183 -0.631 4.575 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.532 -0.116 6.213 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.056 -3.043 4.041 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.269 -1.683 7.874 1.00 0.32 H new ATOM 0 HE1 PHE A 289 5.036 -5.246 4.505 1.00 0.26 H new ATOM 0 HE2 PHE A 289 6.238 -3.884 8.355 1.00 0.31 H new ATOM 0 HZ PHE A 289 6.134 -5.672 6.665 1.00 0.26 H new ATOM 1095 N THR A 290 1.935 -0.640 8.165 1.00 0.24 N ATOM 1096 CA THR A 290 1.468 -0.954 9.490 1.00 0.27 C ATOM 1097 C THR A 290 0.281 -1.944 9.539 1.00 0.23 C ATOM 1098 O THR A 290 -0.215 -2.264 10.619 1.00 0.28 O ATOM 1099 CB THR A 290 1.068 0.405 10.047 1.00 0.36 C ATOM 1100 OG1 THR A 290 2.058 1.356 9.629 1.00 0.62 O ATOM 1101 CG2 THR A 290 0.986 0.454 11.533 1.00 0.44 C ATOM 0 H THR A 290 2.082 0.362 8.045 1.00 0.24 H new ATOM 0 HA THR A 290 2.240 -1.469 10.062 1.00 0.27 H new ATOM 0 HB THR A 290 0.070 0.624 9.668 1.00 0.36 H new ATOM 0 HG1 THR A 290 1.878 2.222 10.051 1.00 0.62 H new ATOM 0 HG21 THR A 290 0.695 1.456 11.849 1.00 0.44 H new ATOM 0 HG22 THR A 290 0.244 -0.265 11.880 1.00 0.44 H new ATOM 0 HG23 THR A 290 1.958 0.207 11.959 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.173 -2.430 8.380 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.249 -3.407 8.339 1.00 0.16 C ATOM 1111 C HIS A 291 -1.266 -4.143 7.013 1.00 0.14 C ATOM 1112 O HIS A 291 -2.335 -4.489 6.501 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.640 -2.806 8.635 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.905 -1.400 8.178 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -2.380 -0.844 7.036 1.00 0.40 N ATOM 1116 CD2 HIS A 291 -3.735 -0.463 8.698 1.00 0.94 C ATOM 1117 CE1 HIS A 291 -2.885 0.368 6.870 1.00 0.19 C ATOM 1118 NE2 HIS A 291 -3.711 0.622 7.862 1.00 0.77 N ATOM 0 H HIS A 291 0.190 -2.161 7.466 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.038 -4.114 9.142 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.389 -3.454 8.179 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.799 -2.844 9.713 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -1.708 -1.294 6.415 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -4.311 -0.555 9.607 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -2.657 1.038 6.054 1.00 0.19 H new ATOM 1127 N VAL A 292 -0.088 -4.376 6.441 1.00 0.16 N ATOM 1128 CA VAL A 292 0.016 -5.253 5.288 1.00 0.15 C ATOM 1129 C VAL A 292 1.131 -6.257 5.444 1.00 0.19 C ATOM 1130 O VAL A 292 2.167 -6.001 6.060 1.00 0.22 O ATOM 1131 CB VAL A 292 0.251 -4.465 3.987 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.942 -3.611 3.667 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.496 -3.613 4.090 1.00 0.31 C ATOM 0 H VAL A 292 0.795 -3.974 6.755 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.938 -5.777 5.228 1.00 0.15 H new ATOM 0 HB VAL A 292 0.394 -5.181 3.178 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.759 -3.061 2.744 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.820 -4.245 3.543 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.114 -2.907 4.481 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.641 -3.066 3.158 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.386 -2.906 4.913 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.360 -4.252 4.273 1.00 0.31 H new ATOM 1143 N ARG A 293 0.858 -7.410 4.893 1.00 0.22 N ATOM 1144 CA ARG A 293 1.857 -8.389 4.579 1.00 0.21 C ATOM 1145 C ARG A 293 2.198 -8.066 3.159 1.00 0.32 C ATOM 1146 O ARG A 293 1.424 -7.375 2.530 1.00 0.70 O ATOM 1147 CB ARG A 293 1.252 -9.784 4.657 1.00 0.19 C ATOM 1148 CG ARG A 293 0.183 -9.891 5.714 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.777 -11.017 5.436 1.00 0.26 C ATOM 1150 NE ARG A 293 -0.114 -12.308 5.242 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.733 -13.488 5.323 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -2.011 -13.554 5.681 1.00 1.09 N ATOM 1153 NH2 ARG A 293 -0.065 -14.604 5.057 1.00 0.60 N ATOM 0 H ARG A 293 -0.089 -7.698 4.645 1.00 0.22 H new ATOM 0 HA ARG A 293 2.715 -8.372 5.251 1.00 0.21 H new ATOM 0 HB2 ARG A 293 0.828 -10.047 3.688 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.040 -10.507 4.867 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.650 -10.045 6.687 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.367 -8.952 5.769 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.481 -11.098 6.265 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.359 -10.778 4.546 1.00 0.26 H new ATOM 0 HE ARG A 293 0.884 -12.306 5.032 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.525 -12.700 5.896 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -2.478 -14.459 5.741 1.00 1.09 H new ATOM 0 HH21 ARG A 293 0.919 -14.559 4.792 1.00 0.60 H new ATOM 0 HH22 ARG A 293 -0.536 -15.507 5.118 1.00 0.60 H new ATOM 1167 N LEU A 294 3.321 -8.459 2.645 1.00 0.18 N ATOM 1168 CA LEU A 294 3.536 -8.218 1.234 1.00 0.18 C ATOM 1169 C LEU A 294 3.630 -9.483 0.404 1.00 0.21 C ATOM 1170 O LEU A 294 3.574 -10.602 0.913 1.00 0.30 O ATOM 1171 CB LEU A 294 4.761 -7.369 0.959 1.00 0.22 C ATOM 1172 CG LEU A 294 5.064 -6.264 1.968 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.245 -5.443 1.501 1.00 0.66 C ATOM 1174 CD2 LEU A 294 3.855 -5.380 2.180 1.00 0.58 C ATOM 0 H LEU A 294 4.077 -8.927 3.144 1.00 0.18 H new ATOM 0 HA LEU A 294 2.643 -7.672 0.930 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.628 -8.028 0.904 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.646 -6.912 -0.024 1.00 0.22 H new ATOM 0 HG LEU A 294 5.313 -6.728 2.922 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.452 -4.658 2.228 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.119 -6.086 1.402 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.016 -4.992 0.535 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.096 -4.601 2.903 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.569 -4.921 1.233 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.027 -5.980 2.557 1.00 0.58 H new ATOM 1186 N LEU A 295 3.757 -9.250 -0.894 1.00 0.20 N ATOM 1187 CA LEU A 295 3.846 -10.265 -1.893 1.00 0.22 C ATOM 1188 C LEU A 295 4.980 -9.925 -2.859 1.00 0.28 C ATOM 1189 O LEU A 295 5.674 -8.921 -2.687 1.00 0.31 O ATOM 1190 CB LEU A 295 2.543 -10.283 -2.661 1.00 0.23 C ATOM 1191 CG LEU A 295 1.818 -11.616 -2.720 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.089 -11.827 -1.414 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.856 -11.662 -3.897 1.00 0.28 C ATOM 0 H LEU A 295 3.801 -8.306 -1.279 1.00 0.20 H new ATOM 0 HA LEU A 295 4.037 -11.234 -1.431 1.00 0.22 H new ATOM 0 HB2 LEU A 295 1.873 -9.548 -2.216 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.742 -9.956 -3.681 1.00 0.23 H new ATOM 0 HG LEU A 295 2.541 -12.418 -2.867 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.563 -12.781 -1.441 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.806 -11.831 -0.593 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.371 -11.021 -1.264 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.350 -12.627 -3.916 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.117 -10.867 -3.794 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.410 -11.525 -4.825 1.00 0.28 H new ATOM 1205 N ASP A 296 5.104 -10.707 -3.917 1.00 0.39 N ATOM 1206 CA ASP A 296 6.187 -10.540 -4.871 1.00 0.50 C ATOM 1207 C ASP A 296 5.689 -9.845 -6.129 1.00 0.73 C ATOM 1208 O ASP A 296 5.476 -10.489 -7.153 1.00 1.81 O ATOM 1209 CB ASP A 296 6.816 -11.890 -5.227 1.00 0.84 C ATOM 1210 CG ASP A 296 7.588 -12.501 -4.075 1.00 1.76 C ATOM 1211 OD1 ASP A 296 6.984 -13.243 -3.268 1.00 2.42 O ATOM 1212 OD2 ASP A 296 8.807 -12.245 -3.973 1.00 2.44 O ATOM 0 H ASP A 296 4.463 -11.469 -4.138 1.00 0.39 H new ATOM 0 HA ASP A 296 6.951 -9.917 -4.406 1.00 0.50 H new ATOM 0 HB2 ASP A 296 6.032 -12.580 -5.539 1.00 0.84 H new ATOM 0 HB3 ASP A 296 7.484 -11.761 -6.078 1.00 0.84 H new ATOM 1217 N GLN A 297 5.485 -8.528 -6.007 1.00 0.53 N ATOM 1218 CA GLN A 297 5.065 -7.644 -7.118 1.00 0.41 C ATOM 1219 C GLN A 297 4.031 -8.302 -8.027 1.00 0.64 C ATOM 1220 O GLN A 297 4.419 -8.869 -9.066 1.00 1.25 O ATOM 1221 CB GLN A 297 6.264 -7.160 -7.951 1.00 0.51 C ATOM 1222 CG GLN A 297 7.578 -7.868 -7.660 1.00 0.88 C ATOM 1223 CD GLN A 297 8.733 -7.270 -8.434 1.00 0.87 C ATOM 1224 OE1 GLN A 297 9.063 -7.709 -9.535 1.00 1.02 O ATOM 1225 NE2 GLN A 297 9.336 -6.237 -7.874 1.00 1.02 N ATOM 1226 OXT GLN A 297 2.834 -8.252 -7.692 1.00 1.41 O ATOM 0 H GLN A 297 5.607 -8.032 -5.124 1.00 0.53 H new ATOM 0 HA GLN A 297 4.597 -6.778 -6.649 1.00 0.41 H new ATOM 0 HB2 GLN A 297 6.027 -7.286 -9.008 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.399 -6.092 -7.780 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.790 -7.812 -6.592 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.483 -8.924 -7.911 1.00 0.88 H new ATOM 0 HE21 GLN A 297 9.032 -5.903 -6.959 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.106 -5.773 -8.356 1.00 1.02 H new TER 1235 GLN A 297