USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 222 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 297 GLN : amide:sc= 0.109 X(o=0.11,f=-0.0041) USER MOD Set 2.1: A 290 THR OG1 : rot 69:sc= 1.12 USER MOD Set 2.2: A 291 HIS : no HD1:sc= -0.322 K(o=0.79,f=-2.6) USER MOD Set 3.1: A 233 ASN : amide:sc= -1.47! K(o=-1.5!,f=1.2) USER MOD Set 3.2: A 268 THR OG1 : rot 180:sc= -0.0286 USER MOD Single : A 224 GLN : amide:sc= -3.43! K(o=-3.4!,f=-0.37) USER MOD Single : A 226 SER OG : rot -77:sc= 1.21 USER MOD Single : A 228 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.34) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 235 GLN : amide:sc= -2.83! K(o=-2.8!,f=0) USER MOD Single : A 236 ASN : amide:sc= -7.22! C(o=-7.2!,f=-7.9!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.0017) USER MOD Single : A 246 LYS NZ :NH3+ -115:sc= -0.959 (180deg=-4.8!) USER MOD Single : A 250 ASN : amide:sc= -2.04! C(o=-2!,f=-6.4!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -132:sc= 0.747 (180deg=-0.237) USER MOD Single : A 255 THR OG1 : rot 150:sc= -0.578 USER MOD Single : A 266 LYS NZ :NH3+ 157:sc= -0.0582 (180deg=-0.474) USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 ASN : amide:sc= 0.127 K(o=0.13,f=-0.58) USER MOD Single : A 272 MET CE :methyl 168:sc= -0.0401 (180deg=-0.278) USER MOD Single : A 273 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 275 GLN : amide:sc= -2.19! K(o=-2.2!,f=-0.43) USER MOD Single : A 280 CYS SG : rot 34:sc= -4.36! USER MOD Single : A 281 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.0065) USER MOD Single : A 283 LYS NZ :NH3+ -127:sc= 0.00562 (180deg=-0.0446) USER MOD Single : A 286 HIS : no HE2:sc= -0.915 X(o=-0.92,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -20.770 8.856 -0.910 1.00 6.89 N ATOM 2 CA GLY A 220 -20.290 7.472 -0.672 1.00 6.03 C ATOM 3 C GLY A 220 -18.807 7.441 -0.370 1.00 5.17 C ATOM 4 O GLY A 220 -18.115 8.435 -0.602 1.00 5.52 O ATOM 0 HA2 GLY A 220 -20.841 7.033 0.160 1.00 6.03 H new ATOM 0 HA3 GLY A 220 -20.496 6.859 -1.549 1.00 6.03 H new ATOM 10 N PRO A 221 -18.292 6.321 0.169 1.00 4.25 N ATOM 11 CA PRO A 221 -16.861 6.159 0.462 1.00 3.64 C ATOM 12 C PRO A 221 -16.001 6.414 -0.773 1.00 3.42 C ATOM 13 O PRO A 221 -15.043 7.189 -0.727 1.00 3.65 O ATOM 14 CB PRO A 221 -16.749 4.700 0.917 1.00 3.01 C ATOM 15 CG PRO A 221 -18.110 4.355 1.412 1.00 3.25 C ATOM 16 CD PRO A 221 -19.068 5.126 0.545 1.00 4.10 C ATOM 0 HA PRO A 221 -16.507 6.868 1.210 1.00 3.64 H new ATOM 0 HB2 PRO A 221 -16.450 4.050 0.095 1.00 3.01 H new ATOM 0 HB3 PRO A 221 -16.001 4.586 1.702 1.00 3.01 H new ATOM 0 HG2 PRO A 221 -18.293 3.283 1.339 1.00 3.25 H new ATOM 0 HG3 PRO A 221 -18.226 4.628 2.461 1.00 3.25 H new ATOM 0 HD2 PRO A 221 -19.372 4.551 -0.330 1.00 4.10 H new ATOM 0 HD3 PRO A 221 -19.977 5.390 1.085 1.00 4.10 H new ATOM 24 N TYR A 222 -16.369 5.768 -1.874 1.00 3.36 N ATOM 25 CA TYR A 222 -15.733 5.999 -3.165 1.00 3.25 C ATOM 26 C TYR A 222 -16.536 5.307 -4.255 1.00 2.52 C ATOM 27 O TYR A 222 -17.108 5.956 -5.130 1.00 2.61 O ATOM 28 CB TYR A 222 -14.284 5.501 -3.177 1.00 3.76 C ATOM 29 CG TYR A 222 -13.492 6.012 -4.358 1.00 4.63 C ATOM 30 CD1 TYR A 222 -12.826 7.229 -4.288 1.00 5.31 C ATOM 31 CD2 TYR A 222 -13.417 5.291 -5.544 1.00 5.08 C ATOM 32 CE1 TYR A 222 -12.110 7.713 -5.364 1.00 6.23 C ATOM 33 CE2 TYR A 222 -12.701 5.768 -6.624 1.00 6.03 C ATOM 34 CZ TYR A 222 -12.050 6.981 -6.528 1.00 6.52 C ATOM 35 OH TYR A 222 -11.339 7.465 -7.601 1.00 7.54 O ATOM 0 H TYR A 222 -17.114 5.072 -1.897 1.00 3.36 H new ATOM 0 HA TYR A 222 -15.711 7.073 -3.349 1.00 3.25 H new ATOM 0 HB2 TYR A 222 -13.792 5.811 -2.255 1.00 3.76 H new ATOM 0 HB3 TYR A 222 -14.281 4.411 -3.189 1.00 3.76 H new ATOM 0 HD1 TYR A 222 -12.869 7.806 -3.376 1.00 5.31 H new ATOM 0 HD2 TYR A 222 -13.927 4.342 -5.622 1.00 5.08 H new ATOM 0 HE1 TYR A 222 -11.599 8.662 -5.293 1.00 6.23 H new ATOM 0 HE2 TYR A 222 -12.651 5.195 -7.538 1.00 6.03 H new ATOM 0 HH TYR A 222 -11.395 6.829 -8.344 1.00 7.54 H new ATOM 45 N ALA A 223 -16.579 3.987 -4.192 1.00 2.13 N ATOM 46 CA ALA A 223 -17.410 3.201 -5.089 1.00 2.17 C ATOM 47 C ALA A 223 -18.272 2.269 -4.254 1.00 2.50 C ATOM 48 O ALA A 223 -19.491 2.414 -4.186 1.00 3.04 O ATOM 49 CB ALA A 223 -16.539 2.439 -6.069 1.00 2.26 C ATOM 0 H ALA A 223 -16.044 3.433 -3.523 1.00 2.13 H new ATOM 0 HA ALA A 223 -18.062 3.849 -5.675 1.00 2.17 H new ATOM 0 HB1 ALA A 223 -17.170 1.853 -6.737 1.00 2.26 H new ATOM 0 HB2 ALA A 223 -15.947 3.143 -6.654 1.00 2.26 H new ATOM 0 HB3 ALA A 223 -15.873 1.772 -5.521 1.00 2.26 H new ATOM 55 N GLN A 224 -17.622 1.327 -3.600 1.00 2.41 N ATOM 56 CA GLN A 224 -18.225 0.599 -2.503 1.00 2.84 C ATOM 57 C GLN A 224 -17.574 1.105 -1.235 1.00 2.61 C ATOM 58 O GLN A 224 -16.674 1.943 -1.315 1.00 2.25 O ATOM 59 CB GLN A 224 -17.996 -0.909 -2.643 1.00 3.26 C ATOM 60 CG GLN A 224 -18.826 -1.561 -3.737 1.00 3.94 C ATOM 61 CD GLN A 224 -20.309 -1.619 -3.410 1.00 4.73 C ATOM 62 OE1 GLN A 224 -21.155 -1.517 -4.297 1.00 5.34 O ATOM 63 NE2 GLN A 224 -20.638 -1.825 -2.144 1.00 5.07 N ATOM 0 H GLN A 224 -16.665 1.046 -3.813 1.00 2.41 H new ATOM 0 HA GLN A 224 -19.303 0.758 -2.492 1.00 2.84 H new ATOM 0 HB2 GLN A 224 -16.940 -1.089 -2.846 1.00 3.26 H new ATOM 0 HB3 GLN A 224 -18.224 -1.391 -1.692 1.00 3.26 H new ATOM 0 HG2 GLN A 224 -18.687 -1.010 -4.667 1.00 3.94 H new ATOM 0 HG3 GLN A 224 -18.459 -2.573 -3.908 1.00 3.94 H new ATOM 0 HE21 GLN A 224 -19.910 -1.905 -1.434 1.00 5.07 H new ATOM 0 HE22 GLN A 224 -21.620 -1.904 -1.879 1.00 5.07 H new ATOM 72 N PRO A 225 -18.047 0.694 -0.053 1.00 3.00 N ATOM 73 CA PRO A 225 -17.244 0.832 1.147 1.00 2.88 C ATOM 74 C PRO A 225 -15.838 0.326 0.852 1.00 2.43 C ATOM 75 O PRO A 225 -15.669 -0.838 0.501 1.00 2.62 O ATOM 76 CB PRO A 225 -17.963 -0.069 2.144 1.00 3.40 C ATOM 77 CG PRO A 225 -19.389 -0.031 1.716 1.00 4.04 C ATOM 78 CD PRO A 225 -19.369 0.100 0.217 1.00 3.72 C ATOM 0 HA PRO A 225 -17.141 1.853 1.515 1.00 2.88 H new ATOM 0 HB2 PRO A 225 -17.568 -1.084 2.119 1.00 3.40 H new ATOM 0 HB3 PRO A 225 -17.845 0.294 3.165 1.00 3.40 H new ATOM 0 HG2 PRO A 225 -19.912 -0.937 2.021 1.00 4.04 H new ATOM 0 HG3 PRO A 225 -19.912 0.809 2.174 1.00 4.04 H new ATOM 0 HD2 PRO A 225 -19.483 -0.867 -0.273 1.00 3.72 H new ATOM 0 HD3 PRO A 225 -20.177 0.737 -0.142 1.00 3.72 H new ATOM 86 N SER A 226 -14.858 1.212 0.968 1.00 2.20 N ATOM 87 CA SER A 226 -13.513 0.965 0.454 1.00 2.08 C ATOM 88 C SER A 226 -12.781 -0.146 1.210 1.00 1.74 C ATOM 89 O SER A 226 -13.346 -1.189 1.532 1.00 1.98 O ATOM 90 CB SER A 226 -12.714 2.266 0.514 1.00 2.61 C ATOM 91 OG SER A 226 -13.381 3.305 -0.188 1.00 3.08 O ATOM 0 H SER A 226 -14.970 2.120 1.419 1.00 2.20 H new ATOM 0 HA SER A 226 -13.607 0.622 -0.576 1.00 2.08 H new ATOM 0 HB2 SER A 226 -12.568 2.560 1.553 1.00 2.61 H new ATOM 0 HB3 SER A 226 -11.724 2.109 0.085 1.00 2.61 H new ATOM 0 HG SER A 226 -13.255 3.182 -1.152 1.00 3.08 H new ATOM 97 N ILE A 227 -11.505 0.064 1.479 1.00 1.37 N ATOM 98 CA ILE A 227 -10.701 -0.956 2.112 1.00 1.12 C ATOM 99 C ILE A 227 -11.074 -1.102 3.594 1.00 1.27 C ATOM 100 O ILE A 227 -10.471 -0.489 4.477 1.00 1.47 O ATOM 101 CB ILE A 227 -9.179 -0.698 1.914 1.00 0.97 C ATOM 102 CG1 ILE A 227 -8.820 -0.798 0.420 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.347 -1.691 2.717 1.00 1.14 C ATOM 104 CD1 ILE A 227 -9.124 0.458 -0.369 1.00 1.47 C ATOM 0 H ILE A 227 -11.008 0.930 1.268 1.00 1.37 H new ATOM 0 HA ILE A 227 -10.919 -1.905 1.623 1.00 1.12 H new ATOM 0 HB ILE A 227 -8.953 0.306 2.274 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -7.758 -1.026 0.326 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -9.366 -1.633 -0.020 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.288 -1.488 2.561 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.583 -1.591 3.776 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -8.575 -2.705 2.389 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -8.844 0.309 -1.412 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -10.190 0.677 -0.307 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -8.558 1.293 0.044 1.00 1.47 H new ATOM 116 N ASN A 228 -12.131 -1.883 3.831 1.00 1.52 N ATOM 117 CA ASN A 228 -12.567 -2.225 5.182 1.00 1.82 C ATOM 118 C ASN A 228 -12.984 -3.699 5.244 1.00 1.80 C ATOM 119 O ASN A 228 -13.978 -4.108 4.645 1.00 2.07 O ATOM 120 CB ASN A 228 -13.718 -1.312 5.670 1.00 2.42 C ATOM 121 CG ASN A 228 -15.051 -1.497 4.944 1.00 3.09 C ATOM 122 OD1 ASN A 228 -16.109 -1.532 5.577 1.00 3.44 O ATOM 123 ND2 ASN A 228 -15.031 -1.556 3.621 1.00 3.83 N ATOM 0 H ASN A 228 -12.704 -2.293 3.094 1.00 1.52 H new ATOM 0 HA ASN A 228 -11.723 -2.063 5.852 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -13.875 -1.490 6.734 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -13.406 -0.273 5.563 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -15.905 -1.632 3.101 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -14.142 -1.525 3.123 1.00 3.83 H new ATOM 130 N THR A 229 -12.173 -4.496 5.941 1.00 1.66 N ATOM 131 CA THR A 229 -12.428 -5.932 6.121 1.00 1.67 C ATOM 132 C THR A 229 -12.614 -6.707 4.784 1.00 1.68 C ATOM 133 O THR A 229 -13.334 -7.704 4.745 1.00 2.22 O ATOM 134 CB THR A 229 -13.694 -6.123 6.983 1.00 1.80 C ATOM 135 OG1 THR A 229 -13.734 -5.125 8.017 1.00 1.91 O ATOM 136 CG2 THR A 229 -13.720 -7.501 7.629 1.00 1.88 C ATOM 0 H THR A 229 -11.322 -4.168 6.397 1.00 1.66 H new ATOM 0 HA THR A 229 -11.544 -6.342 6.609 1.00 1.67 H new ATOM 0 HB THR A 229 -14.561 -6.025 6.329 1.00 1.80 H new ATOM 0 HG1 THR A 229 -14.540 -5.249 8.560 1.00 1.91 H new ATOM 0 HG21 THR A 229 -14.624 -7.604 8.229 1.00 1.88 H new ATOM 0 HG22 THR A 229 -13.710 -8.267 6.853 1.00 1.88 H new ATOM 0 HG23 THR A 229 -12.845 -7.620 8.268 1.00 1.88 H new ATOM 144 N PRO A 230 -11.943 -6.322 3.678 1.00 1.34 N ATOM 145 CA PRO A 230 -12.210 -6.897 2.369 1.00 1.46 C ATOM 146 C PRO A 230 -11.197 -7.969 1.968 1.00 1.44 C ATOM 147 O PRO A 230 -10.100 -8.035 2.524 1.00 1.32 O ATOM 148 CB PRO A 230 -12.076 -5.661 1.496 1.00 1.46 C ATOM 149 CG PRO A 230 -10.952 -4.886 2.116 1.00 1.48 C ATOM 150 CD PRO A 230 -10.870 -5.318 3.567 1.00 1.35 C ATOM 0 HA PRO A 230 -13.166 -7.416 2.305 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -11.853 -5.927 0.463 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.999 -5.081 1.484 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -10.013 -5.086 1.599 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -11.134 -3.814 2.042 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -9.895 -5.742 3.807 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -11.029 -4.481 4.246 1.00 1.35 H new ATOM 158 N LEU A 231 -11.582 -8.845 1.047 1.00 1.78 N ATOM 159 CA LEU A 231 -10.638 -9.796 0.469 1.00 1.82 C ATOM 160 C LEU A 231 -9.490 -9.016 -0.169 1.00 1.52 C ATOM 161 O LEU A 231 -9.725 -8.133 -0.997 1.00 1.52 O ATOM 162 CB LEU A 231 -11.330 -10.672 -0.580 1.00 2.34 C ATOM 163 CG LEU A 231 -10.495 -11.838 -1.117 1.00 2.79 C ATOM 164 CD1 LEU A 231 -10.261 -12.869 -0.026 1.00 3.30 C ATOM 165 CD2 LEU A 231 -11.174 -12.474 -2.320 1.00 3.42 C ATOM 0 H LEU A 231 -12.533 -8.917 0.686 1.00 1.78 H new ATOM 0 HA LEU A 231 -10.254 -10.450 1.252 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -12.246 -11.073 -0.147 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -11.624 -10.041 -1.419 1.00 2.34 H new ATOM 0 HG LEU A 231 -9.528 -11.451 -1.438 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -9.666 -13.691 -0.424 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -9.729 -12.405 0.805 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -11.220 -13.251 0.325 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -10.565 -13.300 -2.687 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -12.155 -12.848 -2.028 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -11.289 -11.730 -3.108 1.00 3.42 H new ATOM 177 N PRO A 232 -8.236 -9.304 0.218 1.00 1.40 N ATOM 178 CA PRO A 232 -7.095 -8.486 -0.191 1.00 1.28 C ATOM 179 C PRO A 232 -6.921 -8.408 -1.701 1.00 1.55 C ATOM 180 O PRO A 232 -6.766 -9.434 -2.370 1.00 1.84 O ATOM 181 CB PRO A 232 -5.890 -9.188 0.450 1.00 1.40 C ATOM 182 CG PRO A 232 -6.364 -10.561 0.775 1.00 1.45 C ATOM 183 CD PRO A 232 -7.831 -10.430 1.071 1.00 1.54 C ATOM 0 HA PRO A 232 -7.223 -7.451 0.125 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -5.041 -9.216 -0.234 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -5.560 -8.663 1.346 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -6.193 -11.241 -0.059 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -5.827 -10.967 1.632 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -8.376 -11.341 0.824 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -8.014 -10.225 2.126 1.00 1.54 H new ATOM 191 N ASN A 233 -6.927 -7.160 -2.192 1.00 1.58 N ATOM 192 CA ASN A 233 -6.658 -6.794 -3.594 1.00 2.01 C ATOM 193 C ASN A 233 -7.447 -5.543 -3.953 1.00 1.76 C ATOM 194 O ASN A 233 -6.913 -4.612 -4.560 1.00 2.31 O ATOM 195 CB ASN A 233 -7.025 -7.894 -4.603 1.00 2.67 C ATOM 196 CG ASN A 233 -6.499 -7.599 -5.999 1.00 3.38 C ATOM 197 OD1 ASN A 233 -7.108 -7.973 -6.999 1.00 3.96 O ATOM 198 ND2 ASN A 233 -5.350 -6.947 -6.075 1.00 3.82 N ATOM 0 H ASN A 233 -7.126 -6.349 -1.606 1.00 1.58 H new ATOM 0 HA ASN A 233 -5.582 -6.631 -3.662 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -6.622 -8.847 -4.260 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -8.109 -8.001 -4.641 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -4.941 -6.739 -6.986 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -4.873 -6.652 -5.223 1.00 3.82 H new ATOM 205 N LEU A 234 -8.711 -5.519 -3.529 1.00 1.61 N ATOM 206 CA LEU A 234 -9.670 -4.528 -3.945 1.00 1.90 C ATOM 207 C LEU A 234 -11.029 -4.990 -3.495 1.00 1.69 C ATOM 208 O LEU A 234 -11.316 -6.189 -3.481 1.00 1.91 O ATOM 209 CB LEU A 234 -9.670 -4.306 -5.466 1.00 2.77 C ATOM 210 CG LEU A 234 -9.975 -5.520 -6.365 1.00 3.77 C ATOM 211 CD1 LEU A 234 -11.472 -5.796 -6.450 1.00 4.30 C ATOM 212 CD2 LEU A 234 -9.422 -5.280 -7.753 1.00 4.49 C ATOM 0 H LEU A 234 -9.091 -6.205 -2.876 1.00 1.61 H new ATOM 0 HA LEU A 234 -9.403 -3.572 -3.494 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -10.400 -3.529 -5.692 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -8.692 -3.916 -5.748 1.00 2.77 H new ATOM 0 HG LEU A 234 -9.497 -6.393 -5.920 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -11.647 -6.659 -7.093 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -11.861 -6.001 -5.453 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -11.979 -4.925 -6.866 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -9.640 -6.141 -8.385 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -9.884 -4.390 -8.180 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -8.343 -5.136 -7.695 1.00 4.49 H new ATOM 224 N GLN A 235 -11.836 -4.069 -3.067 1.00 1.58 N ATOM 225 CA GLN A 235 -13.187 -4.382 -2.726 1.00 1.78 C ATOM 226 C GLN A 235 -14.089 -3.839 -3.822 1.00 1.59 C ATOM 227 O GLN A 235 -15.077 -4.459 -4.209 1.00 1.97 O ATOM 228 CB GLN A 235 -13.460 -3.802 -1.353 1.00 2.17 C ATOM 229 CG GLN A 235 -14.908 -3.416 -1.080 1.00 2.56 C ATOM 230 CD GLN A 235 -15.779 -4.600 -0.672 1.00 3.18 C ATOM 231 OE1 GLN A 235 -16.741 -4.445 0.083 1.00 3.71 O ATOM 232 NE2 GLN A 235 -15.456 -5.789 -1.160 1.00 3.72 N ATOM 0 H GLN A 235 -11.580 -3.089 -2.945 1.00 1.58 H new ATOM 0 HA GLN A 235 -13.379 -5.453 -2.666 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -13.148 -4.528 -0.602 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -12.836 -2.919 -1.220 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -14.934 -2.665 -0.291 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -15.329 -2.954 -1.973 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -14.654 -5.884 -1.783 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -16.010 -6.609 -0.913 1.00 3.72 H new ATOM 241 N ASN A 236 -13.711 -2.672 -4.321 1.00 1.40 N ATOM 242 CA ASN A 236 -14.398 -2.039 -5.437 1.00 1.65 C ATOM 243 C ASN A 236 -13.386 -1.405 -6.381 1.00 1.69 C ATOM 244 O ASN A 236 -13.739 -0.577 -7.226 1.00 2.36 O ATOM 245 CB ASN A 236 -15.375 -0.979 -4.933 1.00 2.09 C ATOM 246 CG ASN A 236 -14.731 -0.010 -3.966 1.00 2.95 C ATOM 247 OD1 ASN A 236 -14.729 -0.238 -2.761 1.00 3.67 O ATOM 248 ND2 ASN A 236 -14.200 1.081 -4.479 1.00 3.34 N ATOM 0 H ASN A 236 -12.919 -2.137 -3.964 1.00 1.40 H new ATOM 0 HA ASN A 236 -14.960 -2.802 -5.976 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -15.777 -0.427 -5.782 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -16.217 -1.469 -4.444 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -13.767 1.773 -3.868 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -14.222 1.233 -5.487 1.00 3.34 H new ATOM 255 N GLY A 237 -12.132 -1.805 -6.243 1.00 1.32 N ATOM 256 CA GLY A 237 -11.062 -1.145 -6.938 1.00 1.67 C ATOM 257 C GLY A 237 -9.788 -1.188 -6.126 1.00 1.38 C ATOM 258 O GLY A 237 -9.833 -1.075 -4.902 1.00 1.70 O ATOM 0 H GLY A 237 -11.840 -2.585 -5.654 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.900 -1.624 -7.904 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -11.336 -0.109 -7.138 1.00 1.67 H new ATOM 262 N PRO A 238 -8.645 -1.405 -6.770 1.00 0.90 N ATOM 263 CA PRO A 238 -7.358 -1.450 -6.100 1.00 0.65 C ATOM 264 C PRO A 238 -6.928 -0.084 -5.696 1.00 0.50 C ATOM 265 O PRO A 238 -7.210 0.896 -6.386 1.00 0.76 O ATOM 266 CB PRO A 238 -6.398 -1.992 -7.144 1.00 0.65 C ATOM 267 CG PRO A 238 -7.276 -2.494 -8.234 1.00 0.96 C ATOM 268 CD PRO A 238 -8.501 -1.628 -8.194 1.00 0.88 C ATOM 0 HA PRO A 238 -7.394 -2.059 -5.197 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.723 -1.215 -7.504 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.777 -2.789 -6.736 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -6.779 -2.425 -9.201 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -7.532 -3.542 -8.081 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -8.364 -0.697 -8.744 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -9.371 -2.126 -8.622 1.00 0.88 H new ATOM 276 N PHE A 239 -6.208 -0.012 -4.620 1.00 0.37 N ATOM 277 CA PHE A 239 -5.925 1.268 -4.054 1.00 0.28 C ATOM 278 C PHE A 239 -4.497 1.660 -4.304 1.00 0.27 C ATOM 279 O PHE A 239 -3.711 0.903 -4.869 1.00 0.51 O ATOM 280 CB PHE A 239 -6.272 1.313 -2.557 1.00 0.34 C ATOM 281 CG PHE A 239 -5.711 0.176 -1.762 1.00 0.41 C ATOM 282 CD1 PHE A 239 -6.160 -1.106 -1.994 1.00 0.90 C ATOM 283 CD2 PHE A 239 -4.751 0.385 -0.790 1.00 0.35 C ATOM 284 CE1 PHE A 239 -5.668 -2.166 -1.278 1.00 1.09 C ATOM 285 CE2 PHE A 239 -4.254 -0.675 -0.063 1.00 0.35 C ATOM 286 CZ PHE A 239 -4.714 -1.953 -0.309 1.00 0.73 C ATOM 0 H PHE A 239 -5.812 -0.810 -4.123 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.562 2.000 -4.550 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.905 2.250 -2.139 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.356 1.318 -2.447 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -6.911 -1.278 -2.751 1.00 0.90 H new ATOM 0 HD2 PHE A 239 -4.388 1.384 -0.599 1.00 0.35 H new ATOM 0 HE1 PHE A 239 -6.028 -3.165 -1.474 1.00 1.09 H new ATOM 0 HE2 PHE A 239 -3.506 -0.506 0.698 1.00 0.35 H new ATOM 0 HZ PHE A 239 -4.325 -2.786 0.259 1.00 0.73 H new ATOM 296 N TYR A 240 -4.190 2.861 -3.906 1.00 0.16 N ATOM 297 CA TYR A 240 -2.877 3.417 -4.049 1.00 0.21 C ATOM 298 C TYR A 240 -2.480 3.916 -2.690 1.00 0.21 C ATOM 299 O TYR A 240 -3.337 4.071 -1.835 1.00 0.36 O ATOM 300 CB TYR A 240 -2.882 4.559 -5.067 1.00 0.25 C ATOM 301 CG TYR A 240 -3.646 4.231 -6.329 1.00 0.25 C ATOM 302 CD1 TYR A 240 -3.174 3.278 -7.220 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.845 4.869 -6.620 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.878 2.967 -8.369 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.551 4.565 -7.766 1.00 0.46 C ATOM 306 CZ TYR A 240 -5.065 3.614 -8.636 1.00 0.45 C ATOM 307 OH TYR A 240 -5.773 3.304 -9.774 1.00 0.59 O ATOM 0 H TYR A 240 -4.859 3.492 -3.465 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.171 2.672 -4.415 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.318 5.445 -4.606 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.854 4.809 -5.328 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.243 2.771 -7.013 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -5.230 5.614 -5.939 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -3.500 2.222 -9.053 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -6.481 5.071 -7.980 1.00 0.46 H new ATOM 0 HH TYR A 240 -6.587 3.849 -9.812 1.00 0.59 H new ATOM 317 N ALA A 241 -1.217 4.107 -2.448 1.00 0.17 N ATOM 318 CA ALA A 241 -0.809 4.660 -1.187 1.00 0.19 C ATOM 319 C ALA A 241 0.374 5.571 -1.353 1.00 0.15 C ATOM 320 O ALA A 241 1.380 5.205 -1.966 1.00 0.19 O ATOM 321 CB ALA A 241 -0.515 3.566 -0.179 1.00 0.35 C ATOM 0 H ALA A 241 -0.459 3.892 -3.096 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.638 5.254 -0.802 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.209 4.015 0.766 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.411 2.966 -0.022 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.286 2.930 -0.555 1.00 0.35 H new ATOM 327 N ARG A 242 0.235 6.765 -0.817 1.00 0.16 N ATOM 328 CA ARG A 242 1.312 7.716 -0.812 1.00 0.16 C ATOM 329 C ARG A 242 2.276 7.343 0.285 1.00 0.14 C ATOM 330 O ARG A 242 1.957 7.431 1.475 1.00 0.23 O ATOM 331 CB ARG A 242 0.804 9.139 -0.568 1.00 0.29 C ATOM 332 CG ARG A 242 1.916 10.179 -0.514 1.00 0.33 C ATOM 333 CD ARG A 242 2.350 10.599 -1.909 1.00 0.79 C ATOM 334 NE ARG A 242 1.219 11.090 -2.695 1.00 1.19 N ATOM 335 CZ ARG A 242 1.259 11.347 -4.001 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.405 11.275 -4.673 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.145 11.705 -4.626 1.00 2.05 N ATOM 0 H ARG A 242 -0.623 7.096 -0.377 1.00 0.16 H new ATOM 0 HA ARG A 242 1.799 7.694 -1.787 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.104 9.407 -1.359 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.249 9.163 0.370 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.573 11.052 0.040 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.770 9.773 0.028 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.110 11.377 -1.836 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.809 9.752 -2.419 1.00 0.79 H new ATOM 0 HE ARG A 242 0.336 11.247 -2.208 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.266 11.021 -4.188 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.423 11.474 -5.673 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.729 11.781 -4.106 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.163 11.904 -5.626 1.00 2.05 H new ATOM 351 N VAL A 243 3.433 6.885 -0.111 1.00 0.10 N ATOM 352 CA VAL A 243 4.475 6.623 0.834 1.00 0.14 C ATOM 353 C VAL A 243 5.088 7.945 1.262 1.00 0.11 C ATOM 354 O VAL A 243 5.795 8.598 0.495 1.00 0.15 O ATOM 355 CB VAL A 243 5.543 5.680 0.241 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.920 6.084 -1.170 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.765 5.654 1.129 1.00 0.32 C ATOM 0 H VAL A 243 3.674 6.687 -1.082 1.00 0.10 H new ATOM 0 HA VAL A 243 4.056 6.118 1.704 1.00 0.14 H new ATOM 0 HB VAL A 243 5.117 4.678 0.193 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.674 5.398 -1.556 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.036 6.048 -1.807 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.321 7.098 -1.163 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.512 4.985 0.701 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.180 6.659 1.207 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.486 5.299 2.121 1.00 0.32 H new ATOM 367 N ILE A 244 4.788 8.363 2.477 1.00 0.13 N ATOM 368 CA ILE A 244 5.306 9.620 2.956 1.00 0.15 C ATOM 369 C ILE A 244 6.642 9.444 3.657 1.00 0.14 C ATOM 370 O ILE A 244 7.347 10.421 3.864 1.00 0.20 O ATOM 371 CB ILE A 244 4.315 10.330 3.888 1.00 0.25 C ATOM 372 CG1 ILE A 244 3.939 9.422 5.056 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.077 10.756 3.110 1.00 0.32 C ATOM 374 CD1 ILE A 244 2.921 10.034 5.981 1.00 0.76 C ATOM 0 H ILE A 244 4.198 7.857 3.137 1.00 0.13 H new ATOM 0 HA ILE A 244 5.456 10.247 2.077 1.00 0.15 H new ATOM 0 HB ILE A 244 4.790 11.223 4.293 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.547 8.483 4.666 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.838 9.181 5.624 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.381 11.259 3.781 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.367 11.438 2.310 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.597 9.877 2.681 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.698 9.337 6.789 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.319 10.959 6.399 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.008 10.250 5.426 1.00 0.76 H new ATOM 386 N GLN A 245 6.974 8.201 4.030 1.00 0.12 N ATOM 387 CA GLN A 245 8.289 7.883 4.609 1.00 0.14 C ATOM 388 C GLN A 245 8.644 6.420 4.400 1.00 0.14 C ATOM 389 O GLN A 245 8.061 5.537 5.023 1.00 0.17 O ATOM 390 CB GLN A 245 8.340 8.209 6.103 1.00 0.21 C ATOM 391 CG GLN A 245 8.260 9.693 6.394 1.00 0.33 C ATOM 392 CD GLN A 245 8.313 10.019 7.873 1.00 0.54 C ATOM 393 OE1 GLN A 245 8.781 11.087 8.269 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.826 9.107 8.699 1.00 1.06 N ATOM 0 H GLN A 245 6.351 7.398 3.942 1.00 0.12 H new ATOM 0 HA GLN A 245 9.019 8.504 4.090 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.517 7.702 6.607 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.264 7.812 6.523 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.082 10.200 5.888 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.335 10.089 5.975 1.00 0.33 H new ATOM 0 HE21 GLN A 245 7.447 8.235 8.330 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.829 9.276 9.705 1.00 1.06 H new ATOM 403 N LYS A 246 9.574 6.164 3.491 1.00 0.15 N ATOM 404 CA LYS A 246 10.077 4.816 3.260 1.00 0.16 C ATOM 405 C LYS A 246 11.594 4.813 3.151 1.00 0.22 C ATOM 406 O LYS A 246 12.228 5.865 3.046 1.00 0.29 O ATOM 407 CB LYS A 246 9.484 4.202 1.996 1.00 0.18 C ATOM 408 CG LYS A 246 8.797 2.860 2.222 1.00 0.20 C ATOM 409 CD LYS A 246 7.526 3.015 3.045 1.00 0.29 C ATOM 410 CE LYS A 246 6.479 1.982 2.672 1.00 0.28 C ATOM 411 NZ LYS A 246 5.864 2.258 1.344 1.00 0.36 N ATOM 0 H LYS A 246 9.998 6.877 2.898 1.00 0.15 H new ATOM 0 HA LYS A 246 9.773 4.215 4.117 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.764 4.900 1.569 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.278 4.073 1.260 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.556 2.407 1.260 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.481 2.181 2.731 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.766 2.922 4.104 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.118 4.015 2.897 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.936 0.992 2.660 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.700 1.965 3.435 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.855 2.479 1.468 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.344 3.067 0.900 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 5.962 1.421 0.735 1.00 0.36 H new ATOM 425 N ARG A 247 12.157 3.622 3.191 1.00 0.27 N ATOM 426 CA ARG A 247 13.564 3.413 2.908 1.00 0.37 C ATOM 427 C ARG A 247 13.650 2.992 1.453 1.00 0.27 C ATOM 428 O ARG A 247 12.616 2.699 0.860 1.00 0.21 O ATOM 429 CB ARG A 247 14.147 2.317 3.814 1.00 0.55 C ATOM 430 CG ARG A 247 13.673 0.914 3.457 1.00 0.69 C ATOM 431 CD ARG A 247 14.078 -0.114 4.501 1.00 0.72 C ATOM 432 NE ARG A 247 15.502 -0.441 4.438 1.00 1.24 N ATOM 433 CZ ARG A 247 15.977 -1.692 4.439 1.00 1.29 C ATOM 434 NH1 ARG A 247 15.138 -2.722 4.475 1.00 1.33 N ATOM 435 NH2 ARG A 247 17.285 -1.918 4.391 1.00 2.10 N ATOM 0 H ARG A 247 11.650 2.768 3.422 1.00 0.27 H new ATOM 0 HA ARG A 247 14.137 4.321 3.095 1.00 0.37 H new ATOM 0 HB2 ARG A 247 15.235 2.350 3.755 1.00 0.55 H new ATOM 0 HB3 ARG A 247 13.877 2.530 4.848 1.00 0.55 H new ATOM 0 HG2 ARG A 247 12.588 0.915 3.353 1.00 0.69 H new ATOM 0 HG3 ARG A 247 14.086 0.628 2.490 1.00 0.69 H new ATOM 0 HD2 ARG A 247 13.839 0.267 5.494 1.00 0.72 H new ATOM 0 HD3 ARG A 247 13.493 -1.022 4.359 1.00 0.72 H new ATOM 0 HE ARG A 247 16.171 0.328 4.391 1.00 1.24 H new ATOM 0 HH11 ARG A 247 14.131 -2.559 4.502 1.00 1.33 H new ATOM 0 HH12 ARG A 247 15.501 -3.675 4.476 1.00 1.33 H new ATOM 0 HH21 ARG A 247 17.937 -1.134 4.353 1.00 2.10 H new ATOM 0 HH22 ARG A 247 17.638 -2.875 4.392 1.00 2.10 H new ATOM 449 N VAL A 248 14.829 3.002 0.853 1.00 0.32 N ATOM 450 CA VAL A 248 14.980 2.454 -0.472 1.00 0.31 C ATOM 451 C VAL A 248 15.500 1.021 -0.373 1.00 0.26 C ATOM 452 O VAL A 248 16.707 0.786 -0.306 1.00 0.30 O ATOM 453 CB VAL A 248 15.940 3.313 -1.312 1.00 0.45 C ATOM 454 CG1 VAL A 248 16.143 2.696 -2.676 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.413 4.734 -1.436 1.00 1.18 C ATOM 0 H VAL A 248 15.683 3.381 1.262 1.00 0.32 H new ATOM 0 HA VAL A 248 14.009 2.453 -0.966 1.00 0.31 H new ATOM 0 HB VAL A 248 16.905 3.350 -0.806 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.825 3.316 -3.258 1.00 1.12 H new ATOM 0 HG12 VAL A 248 16.566 1.698 -2.564 1.00 1.12 H new ATOM 0 HG13 VAL A 248 15.185 2.629 -3.191 1.00 1.12 H new ATOM 0 HG21 VAL A 248 16.105 5.328 -2.033 1.00 1.18 H new ATOM 0 HG22 VAL A 248 14.436 4.719 -1.920 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.320 5.175 -0.444 1.00 1.18 H new ATOM 465 N PRO A 249 14.584 0.049 -0.311 1.00 0.20 N ATOM 466 CA PRO A 249 14.889 -1.357 -0.192 1.00 0.20 C ATOM 467 C PRO A 249 14.763 -2.102 -1.506 1.00 0.27 C ATOM 468 O PRO A 249 14.333 -1.547 -2.509 1.00 0.34 O ATOM 469 CB PRO A 249 13.821 -1.835 0.788 1.00 0.21 C ATOM 470 CG PRO A 249 12.702 -0.834 0.687 1.00 0.23 C ATOM 471 CD PRO A 249 13.143 0.226 -0.292 1.00 0.22 C ATOM 0 HA PRO A 249 15.917 -1.532 0.126 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.475 -2.837 0.533 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.214 -1.882 1.804 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.785 -1.315 0.347 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.489 -0.394 1.661 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.702 0.078 -1.278 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.860 1.226 0.037 1.00 0.22 H new ATOM 479 N ASN A 250 15.189 -3.344 -1.515 1.00 0.31 N ATOM 480 CA ASN A 250 14.957 -4.197 -2.648 1.00 0.39 C ATOM 481 C ASN A 250 13.948 -5.278 -2.324 1.00 0.36 C ATOM 482 O ASN A 250 13.664 -5.567 -1.165 1.00 0.35 O ATOM 483 CB ASN A 250 16.255 -4.825 -3.139 1.00 0.51 C ATOM 484 CG ASN A 250 16.944 -5.696 -2.099 1.00 1.13 C ATOM 485 OD1 ASN A 250 16.763 -5.522 -0.897 1.00 1.97 O ATOM 486 ND2 ASN A 250 17.768 -6.621 -2.560 1.00 1.56 N ATOM 0 H ASN A 250 15.698 -3.783 -0.748 1.00 0.31 H new ATOM 0 HA ASN A 250 14.551 -3.573 -3.444 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.045 -5.427 -4.023 1.00 0.51 H new ATOM 0 HB3 ASN A 250 16.938 -4.033 -3.447 1.00 0.51 H new ATOM 0 HD21 ASN A 250 18.278 -7.219 -1.910 1.00 1.56 H new ATOM 0 HD22 ASN A 250 17.893 -6.737 -3.566 1.00 1.56 H new ATOM 493 N ALA A 251 13.429 -5.866 -3.377 1.00 0.43 N ATOM 494 CA ALA A 251 12.458 -6.946 -3.286 1.00 0.48 C ATOM 495 C ALA A 251 13.050 -8.188 -2.621 1.00 0.53 C ATOM 496 O ALA A 251 12.327 -9.126 -2.297 1.00 0.60 O ATOM 497 CB ALA A 251 11.941 -7.289 -4.672 1.00 0.59 C ATOM 0 H ALA A 251 13.668 -5.609 -4.335 1.00 0.43 H new ATOM 0 HA ALA A 251 11.633 -6.603 -2.662 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.214 -8.098 -4.599 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.465 -6.412 -5.110 1.00 0.59 H new ATOM 0 HB3 ALA A 251 12.772 -7.604 -5.303 1.00 0.59 H new ATOM 503 N TYR A 252 14.364 -8.208 -2.444 1.00 0.54 N ATOM 504 CA TYR A 252 15.013 -9.315 -1.763 1.00 0.65 C ATOM 505 C TYR A 252 15.097 -9.053 -0.263 1.00 0.60 C ATOM 506 O TYR A 252 15.433 -9.949 0.515 1.00 0.69 O ATOM 507 CB TYR A 252 16.392 -9.595 -2.359 1.00 0.77 C ATOM 508 CG TYR A 252 16.319 -10.189 -3.749 1.00 1.63 C ATOM 509 CD1 TYR A 252 15.929 -11.508 -3.933 1.00 1.89 C ATOM 510 CD2 TYR A 252 16.622 -9.431 -4.874 1.00 2.46 C ATOM 511 CE1 TYR A 252 15.846 -12.060 -5.195 1.00 2.83 C ATOM 512 CE2 TYR A 252 16.537 -9.975 -6.142 1.00 3.46 C ATOM 513 CZ TYR A 252 16.149 -11.291 -6.296 1.00 3.61 C ATOM 514 OH TYR A 252 16.054 -11.837 -7.555 1.00 4.61 O ATOM 0 H TYR A 252 14.997 -7.474 -2.761 1.00 0.54 H new ATOM 0 HA TYR A 252 14.406 -10.208 -1.911 1.00 0.65 H new ATOM 0 HB2 TYR A 252 16.963 -8.667 -2.395 1.00 0.77 H new ATOM 0 HB3 TYR A 252 16.934 -10.278 -1.705 1.00 0.77 H new ATOM 0 HD1 TYR A 252 15.686 -12.114 -3.073 1.00 1.89 H new ATOM 0 HD2 TYR A 252 16.928 -8.402 -4.756 1.00 2.46 H new ATOM 0 HE1 TYR A 252 15.545 -13.090 -5.318 1.00 2.83 H new ATOM 0 HE2 TYR A 252 16.773 -9.374 -7.008 1.00 3.46 H new ATOM 0 HH TYR A 252 16.301 -11.164 -8.223 1.00 4.61 H new ATOM 524 N ASP A 253 14.786 -7.822 0.135 1.00 0.50 N ATOM 525 CA ASP A 253 14.602 -7.481 1.540 1.00 0.51 C ATOM 526 C ASP A 253 13.224 -7.929 1.953 1.00 0.48 C ATOM 527 O ASP A 253 12.280 -7.141 1.926 1.00 0.43 O ATOM 528 CB ASP A 253 14.726 -5.970 1.735 1.00 0.49 C ATOM 529 CG ASP A 253 14.534 -5.523 3.175 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.490 -5.632 3.970 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.431 -5.052 3.523 1.00 1.32 O ATOM 0 H ASP A 253 14.655 -7.038 -0.504 1.00 0.50 H new ATOM 0 HA ASP A 253 15.363 -7.973 2.145 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.709 -5.648 1.392 1.00 0.49 H new ATOM 0 HB3 ASP A 253 13.989 -5.470 1.107 1.00 0.49 H new ATOM 536 N LYS A 254 13.104 -9.193 2.335 1.00 0.55 N ATOM 537 CA LYS A 254 11.813 -9.836 2.377 1.00 0.55 C ATOM 538 C LYS A 254 11.220 -9.725 0.988 1.00 0.49 C ATOM 539 O LYS A 254 11.487 -10.565 0.131 1.00 0.54 O ATOM 540 CB LYS A 254 10.903 -9.215 3.441 1.00 0.57 C ATOM 541 CG LYS A 254 11.315 -9.566 4.864 1.00 0.73 C ATOM 542 CD LYS A 254 11.552 -8.327 5.713 1.00 1.32 C ATOM 543 CE LYS A 254 12.759 -7.538 5.229 1.00 1.62 C ATOM 544 NZ LYS A 254 12.977 -6.299 6.015 1.00 2.40 N ATOM 0 H LYS A 254 13.885 -9.785 2.618 1.00 0.55 H new ATOM 0 HA LYS A 254 11.916 -10.883 2.662 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.908 -8.131 3.326 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.879 -9.549 3.274 1.00 0.57 H new ATOM 0 HG2 LYS A 254 10.540 -10.178 5.325 1.00 0.73 H new ATOM 0 HG3 LYS A 254 12.224 -10.168 4.840 1.00 0.73 H new ATOM 0 HD2 LYS A 254 10.667 -7.692 5.685 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.701 -8.621 6.752 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.648 -8.165 5.291 1.00 1.62 H new ATOM 0 HE3 LYS A 254 12.623 -7.280 4.179 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 13.125 -5.499 5.368 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 12.144 -6.114 6.609 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.815 -6.415 6.620 1.00 2.40 H new ATOM 558 N THR A 255 10.439 -8.684 0.765 1.00 0.42 N ATOM 559 CA THR A 255 9.985 -8.352 -0.573 1.00 0.39 C ATOM 560 C THR A 255 9.973 -6.846 -0.826 1.00 0.31 C ATOM 561 O THR A 255 9.534 -6.412 -1.871 1.00 0.32 O ATOM 562 CB THR A 255 8.597 -8.956 -0.843 1.00 0.47 C ATOM 563 OG1 THR A 255 7.756 -8.783 0.308 1.00 0.49 O ATOM 564 CG2 THR A 255 8.722 -10.435 -1.167 1.00 0.60 C ATOM 0 H THR A 255 10.106 -8.053 1.494 1.00 0.42 H new ATOM 0 HA THR A 255 10.701 -8.789 -1.269 1.00 0.39 H new ATOM 0 HB THR A 255 8.152 -8.443 -1.695 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.822 -8.705 0.022 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.732 -10.851 -1.356 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.344 -10.562 -2.053 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.179 -10.955 -0.325 1.00 0.60 H new ATOM 572 N ALA A 256 10.546 -6.098 0.106 1.00 0.26 N ATOM 573 CA ALA A 256 10.291 -4.658 0.312 1.00 0.21 C ATOM 574 C ALA A 256 10.090 -3.773 -0.937 1.00 0.17 C ATOM 575 O ALA A 256 10.828 -3.853 -1.919 1.00 0.21 O ATOM 576 CB ALA A 256 11.398 -4.087 1.165 1.00 0.23 C ATOM 0 H ALA A 256 11.224 -6.478 0.766 1.00 0.26 H new ATOM 0 HA ALA A 256 9.314 -4.628 0.795 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.222 -3.023 1.325 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.418 -4.600 2.126 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.354 -4.225 0.660 1.00 0.23 H new ATOM 582 N LEU A 257 9.069 -2.895 -0.828 1.00 0.14 N ATOM 583 CA LEU A 257 8.789 -1.834 -1.807 1.00 0.14 C ATOM 584 C LEU A 257 9.924 -0.836 -1.891 1.00 0.13 C ATOM 585 O LEU A 257 10.222 -0.156 -0.912 1.00 0.15 O ATOM 586 CB LEU A 257 7.533 -1.030 -1.420 1.00 0.15 C ATOM 587 CG LEU A 257 6.202 -1.572 -1.896 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.285 -1.981 -3.355 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.759 -2.716 -1.024 1.00 0.21 C ATOM 0 H LEU A 257 8.412 -2.907 -0.048 1.00 0.14 H new ATOM 0 HA LEU A 257 8.651 -2.343 -2.761 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.500 -0.954 -0.333 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.645 -0.017 -1.807 1.00 0.15 H new ATOM 0 HG LEU A 257 5.452 -0.785 -1.817 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.319 -2.368 -3.680 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.551 -1.115 -3.961 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.044 -2.754 -3.474 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.801 -3.094 -1.379 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.501 -3.513 -1.064 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.654 -2.370 0.004 1.00 0.21 H new ATOM 601 N ALA A 258 10.511 -0.701 -3.065 1.00 0.14 N ATOM 602 CA ALA A 258 11.548 0.293 -3.271 1.00 0.16 C ATOM 603 C ALA A 258 10.940 1.632 -3.668 1.00 0.17 C ATOM 604 O ALA A 258 10.601 1.850 -4.832 1.00 0.24 O ATOM 605 CB ALA A 258 12.509 -0.197 -4.334 1.00 0.22 C ATOM 0 H ALA A 258 10.289 -1.263 -3.887 1.00 0.14 H new ATOM 0 HA ALA A 258 12.093 0.440 -2.338 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.289 0.548 -4.491 1.00 0.22 H new ATOM 0 HB2 ALA A 258 12.962 -1.134 -4.011 1.00 0.22 H new ATOM 0 HB3 ALA A 258 11.969 -0.358 -5.267 1.00 0.22 H new ATOM 611 N LEU A 259 10.772 2.512 -2.685 1.00 0.13 N ATOM 612 CA LEU A 259 10.213 3.839 -2.922 1.00 0.15 C ATOM 613 C LEU A 259 10.587 4.776 -1.779 1.00 0.15 C ATOM 614 O LEU A 259 11.038 4.321 -0.733 1.00 0.18 O ATOM 615 CB LEU A 259 8.691 3.754 -3.133 1.00 0.20 C ATOM 616 CG LEU A 259 8.010 2.549 -2.485 1.00 0.19 C ATOM 617 CD1 LEU A 259 7.966 2.695 -0.983 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.615 2.363 -3.042 1.00 0.55 C ATOM 0 H LEU A 259 11.017 2.328 -1.712 1.00 0.13 H new ATOM 0 HA LEU A 259 10.639 4.252 -3.837 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.235 4.663 -2.741 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.490 3.732 -4.204 1.00 0.20 H new ATOM 0 HG LEU A 259 8.598 1.662 -2.721 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.476 1.824 -0.547 1.00 0.66 H new ATOM 0 HD12 LEU A 259 8.982 2.772 -0.595 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.408 3.594 -0.721 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.146 1.500 -2.569 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.021 3.255 -2.841 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.672 2.200 -4.118 1.00 0.55 H new ATOM 630 N GLU A 260 10.395 6.073 -1.967 1.00 0.18 N ATOM 631 CA GLU A 260 10.813 7.051 -0.995 1.00 0.24 C ATOM 632 C GLU A 260 9.642 7.964 -0.662 1.00 0.20 C ATOM 633 O GLU A 260 8.507 7.710 -1.058 1.00 0.21 O ATOM 634 CB GLU A 260 12.023 7.850 -1.516 1.00 0.39 C ATOM 635 CG GLU A 260 11.695 9.214 -2.113 1.00 0.52 C ATOM 636 CD GLU A 260 12.901 9.869 -2.746 1.00 0.96 C ATOM 637 OE1 GLU A 260 13.161 9.623 -3.939 1.00 1.27 O ATOM 638 OE2 GLU A 260 13.602 10.629 -2.049 1.00 1.74 O ATOM 0 H GLU A 260 9.947 6.467 -2.794 1.00 0.18 H new ATOM 0 HA GLU A 260 11.128 6.545 -0.082 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.725 7.991 -0.695 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.533 7.254 -2.273 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.911 9.101 -2.862 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.299 9.864 -1.333 1.00 0.52 H new ATOM 645 N VAL A 261 9.917 8.974 0.115 1.00 0.33 N ATOM 646 CA VAL A 261 8.937 9.966 0.490 1.00 0.32 C ATOM 647 C VAL A 261 8.360 10.725 -0.702 1.00 0.22 C ATOM 648 O VAL A 261 9.087 11.357 -1.471 1.00 0.28 O ATOM 649 CB VAL A 261 9.598 10.942 1.453 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.656 12.063 1.833 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.076 10.147 2.637 1.00 0.93 C ATOM 0 H VAL A 261 10.841 9.138 0.514 1.00 0.33 H new ATOM 0 HA VAL A 261 8.097 9.450 0.956 1.00 0.32 H new ATOM 0 HB VAL A 261 10.450 11.436 0.986 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.158 12.743 2.521 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.359 12.608 0.937 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.771 11.647 2.315 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.557 10.814 3.353 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.227 9.656 3.113 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.791 9.394 2.305 1.00 0.93 H new ATOM 661 N GLY A 262 7.043 10.652 -0.838 1.00 0.17 N ATOM 662 CA GLY A 262 6.344 11.441 -1.824 1.00 0.20 C ATOM 663 C GLY A 262 5.874 10.602 -2.982 1.00 0.22 C ATOM 664 O GLY A 262 5.198 11.091 -3.888 1.00 0.31 O ATOM 0 H GLY A 262 6.443 10.051 -0.273 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.488 11.929 -1.358 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.001 12.230 -2.190 1.00 0.20 H new ATOM 668 N GLU A 263 6.202 9.326 -2.933 1.00 0.16 N ATOM 669 CA GLU A 263 5.924 8.432 -4.033 1.00 0.18 C ATOM 670 C GLU A 263 4.568 7.759 -3.846 1.00 0.15 C ATOM 671 O GLU A 263 3.923 7.929 -2.809 1.00 0.19 O ATOM 672 CB GLU A 263 7.043 7.406 -4.114 1.00 0.23 C ATOM 673 CG GLU A 263 8.419 8.030 -3.921 1.00 0.26 C ATOM 674 CD GLU A 263 8.833 8.910 -5.082 1.00 0.61 C ATOM 675 OE1 GLU A 263 9.206 8.368 -6.142 1.00 1.02 O ATOM 676 OE2 GLU A 263 8.778 10.147 -4.945 1.00 1.04 O ATOM 0 H GLU A 263 6.664 8.886 -2.137 1.00 0.16 H new ATOM 0 HA GLU A 263 5.880 8.991 -4.968 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.885 6.640 -3.355 1.00 0.23 H new ATOM 0 HB3 GLU A 263 7.006 6.908 -5.083 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.420 8.621 -3.005 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.157 7.238 -3.790 1.00 0.26 H new ATOM 683 N LEU A 264 4.141 6.996 -4.833 1.00 0.14 N ATOM 684 CA LEU A 264 2.842 6.345 -4.780 1.00 0.13 C ATOM 685 C LEU A 264 2.972 4.887 -5.193 1.00 0.15 C ATOM 686 O LEU A 264 3.761 4.560 -6.080 1.00 0.24 O ATOM 687 CB LEU A 264 1.859 7.063 -5.708 1.00 0.15 C ATOM 688 CG LEU A 264 0.394 6.658 -5.550 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.188 7.279 -4.294 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.410 7.066 -6.775 1.00 0.18 C ATOM 0 H LEU A 264 4.673 6.810 -5.683 1.00 0.14 H new ATOM 0 HA LEU A 264 2.466 6.392 -3.758 1.00 0.13 H new ATOM 0 HB2 LEU A 264 1.942 8.136 -5.537 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.160 6.880 -6.740 1.00 0.15 H new ATOM 0 HG LEU A 264 0.341 5.573 -5.457 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.232 6.983 -4.192 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.373 6.936 -3.425 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.123 8.365 -4.361 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.450 6.769 -6.643 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.355 8.147 -6.903 1.00 0.18 H new ATOM 0 HD23 LEU A 264 -0.002 6.575 -7.658 1.00 0.18 H new ATOM 702 N VAL A 265 2.194 4.020 -4.565 1.00 0.14 N ATOM 703 CA VAL A 265 2.263 2.596 -4.847 1.00 0.15 C ATOM 704 C VAL A 265 0.848 2.057 -5.015 1.00 0.15 C ATOM 705 O VAL A 265 -0.093 2.636 -4.484 1.00 0.27 O ATOM 706 CB VAL A 265 3.006 1.834 -3.710 1.00 0.20 C ATOM 707 CG1 VAL A 265 2.052 1.175 -2.723 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.939 0.798 -4.280 1.00 0.41 C ATOM 0 H VAL A 265 1.507 4.278 -3.856 1.00 0.14 H new ATOM 0 HA VAL A 265 2.827 2.441 -5.767 1.00 0.15 H new ATOM 0 HB VAL A 265 3.580 2.583 -3.164 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.625 0.659 -1.953 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.425 1.936 -2.260 1.00 0.40 H new ATOM 0 HG13 VAL A 265 1.422 0.457 -3.249 1.00 0.40 H new ATOM 0 HG21 VAL A 265 4.447 0.279 -3.467 1.00 0.41 H new ATOM 0 HG22 VAL A 265 3.369 0.080 -4.869 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.678 1.285 -4.917 1.00 0.41 H new ATOM 718 N LYS A 266 0.685 0.979 -5.759 1.00 0.13 N ATOM 719 CA LYS A 266 -0.615 0.339 -5.877 1.00 0.15 C ATOM 720 C LYS A 266 -0.606 -0.901 -5.005 1.00 0.13 C ATOM 721 O LYS A 266 0.008 -1.907 -5.342 1.00 0.14 O ATOM 722 CB LYS A 266 -0.941 0.011 -7.351 1.00 0.24 C ATOM 723 CG LYS A 266 -2.267 -0.705 -7.609 1.00 0.85 C ATOM 724 CD LYS A 266 -2.212 -2.176 -7.239 1.00 0.49 C ATOM 725 CE LYS A 266 -3.345 -2.965 -7.868 1.00 0.82 C ATOM 726 NZ LYS A 266 -3.247 -2.982 -9.349 1.00 1.32 N ATOM 0 H LYS A 266 1.431 0.529 -6.289 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.402 1.013 -5.537 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.940 0.943 -7.917 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.136 -0.606 -7.750 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -3.057 -0.219 -7.037 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.530 -0.608 -8.662 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.258 -2.595 -7.559 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -2.257 -2.279 -6.155 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -3.330 -3.987 -7.491 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -4.300 -2.530 -7.572 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -3.761 -3.806 -9.722 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -3.663 -2.110 -9.734 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -2.248 -3.042 -9.630 1.00 1.32 H new ATOM 740 N VAL A 267 -1.252 -0.809 -3.865 1.00 0.16 N ATOM 741 CA VAL A 267 -1.282 -1.906 -2.933 1.00 0.16 C ATOM 742 C VAL A 267 -2.260 -2.985 -3.411 1.00 0.17 C ATOM 743 O VAL A 267 -3.463 -2.747 -3.520 1.00 0.25 O ATOM 744 CB VAL A 267 -1.673 -1.445 -1.525 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.463 -2.560 -0.553 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.890 -0.223 -1.092 1.00 0.63 C ATOM 0 H VAL A 267 -1.765 0.019 -3.563 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.275 -2.320 -2.886 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.727 -1.168 -1.545 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.742 -2.228 0.447 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -2.080 -3.412 -0.838 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.413 -2.854 -0.558 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.198 0.070 -0.088 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.175 -0.455 -1.091 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.082 0.597 -1.784 1.00 0.63 H new ATOM 756 N THR A 268 -1.722 -4.155 -3.715 1.00 0.15 N ATOM 757 CA THR A 268 -2.499 -5.287 -4.171 1.00 0.19 C ATOM 758 C THR A 268 -2.951 -6.171 -2.993 1.00 0.22 C ATOM 759 O THR A 268 -3.754 -7.088 -3.167 1.00 0.34 O ATOM 760 CB THR A 268 -1.672 -6.121 -5.180 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.476 -7.153 -5.759 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.438 -6.734 -4.516 1.00 0.29 C ATOM 0 H THR A 268 -0.722 -4.343 -3.650 1.00 0.15 H new ATOM 0 HA THR A 268 -3.394 -4.907 -4.664 1.00 0.19 H new ATOM 0 HB THR A 268 -1.337 -5.446 -5.968 1.00 0.24 H new ATOM 0 HG1 THR A 268 -1.938 -7.669 -6.395 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.121 -7.313 -5.251 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.196 -5.939 -4.122 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.750 -7.387 -3.701 1.00 0.29 H new ATOM 770 N LYS A 269 -2.437 -5.887 -1.798 1.00 0.18 N ATOM 771 CA LYS A 269 -2.780 -6.650 -0.596 1.00 0.20 C ATOM 772 C LYS A 269 -3.347 -5.716 0.459 1.00 0.22 C ATOM 773 O LYS A 269 -2.801 -4.662 0.676 1.00 0.35 O ATOM 774 CB LYS A 269 -1.524 -7.329 -0.042 1.00 0.23 C ATOM 775 CG LYS A 269 -1.731 -8.038 1.292 1.00 0.40 C ATOM 776 CD LYS A 269 -1.081 -9.408 1.319 1.00 1.55 C ATOM 777 CE LYS A 269 -1.800 -10.391 0.413 1.00 2.25 C ATOM 778 NZ LYS A 269 -1.196 -11.745 0.479 1.00 2.84 N ATOM 0 H LYS A 269 -1.776 -5.128 -1.634 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.523 -7.405 -0.853 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -1.164 -8.053 -0.773 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.742 -6.579 0.076 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -1.319 -7.426 2.095 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -2.799 -8.140 1.485 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.040 -9.322 1.009 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.079 -9.789 2.340 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -2.850 -10.447 0.699 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -1.768 -10.029 -0.614 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -1.715 -12.388 -0.153 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -0.200 -11.696 0.182 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -1.249 -12.102 1.454 1.00 2.84 H new ATOM 792 N ILE A 270 -4.427 -6.088 1.120 1.00 0.33 N ATOM 793 CA ILE A 270 -4.982 -5.226 2.161 1.00 0.39 C ATOM 794 C ILE A 270 -4.691 -5.801 3.535 1.00 0.55 C ATOM 795 O ILE A 270 -4.388 -6.985 3.657 1.00 0.73 O ATOM 796 CB ILE A 270 -6.508 -5.022 2.005 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.287 -6.332 2.196 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.807 -4.428 0.647 1.00 1.09 C ATOM 799 CD1 ILE A 270 -7.633 -6.653 3.638 1.00 1.90 C ATOM 0 H ILE A 270 -4.932 -6.960 0.964 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.501 -4.254 2.054 1.00 0.39 H new ATOM 0 HB ILE A 270 -6.834 -4.335 2.786 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -8.209 -6.279 1.617 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -6.699 -7.153 1.785 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.882 -4.286 0.541 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.303 -3.466 0.551 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.452 -5.103 -0.132 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -8.182 -7.594 3.680 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -6.716 -6.742 4.221 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -8.250 -5.855 4.051 1.00 1.90 H new ATOM 811 N ASN A 271 -4.792 -4.966 4.560 1.00 0.60 N ATOM 812 CA ASN A 271 -4.701 -5.425 5.936 1.00 0.82 C ATOM 813 C ASN A 271 -5.659 -4.665 6.822 1.00 0.70 C ATOM 814 O ASN A 271 -5.919 -3.484 6.601 1.00 0.87 O ATOM 815 CB ASN A 271 -3.290 -5.284 6.507 1.00 1.17 C ATOM 816 CG ASN A 271 -2.605 -6.621 6.657 1.00 1.58 C ATOM 817 OD1 ASN A 271 -1.889 -6.873 7.628 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.821 -7.477 5.685 1.00 1.88 N ATOM 0 H ASN A 271 -4.938 -3.961 4.462 1.00 0.60 H new ATOM 0 HA ASN A 271 -4.963 -6.483 5.920 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -2.697 -4.644 5.854 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.339 -4.791 7.478 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.387 -8.400 5.712 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -3.423 -7.219 4.903 1.00 1.88 H new ATOM 825 N MET A 272 -6.179 -5.362 7.816 1.00 0.81 N ATOM 826 CA MET A 272 -7.001 -4.760 8.857 1.00 0.97 C ATOM 827 C MET A 272 -6.270 -3.605 9.529 1.00 1.02 C ATOM 828 O MET A 272 -6.854 -2.567 9.832 1.00 1.22 O ATOM 829 CB MET A 272 -7.357 -5.821 9.901 1.00 1.24 C ATOM 830 CG MET A 272 -6.152 -6.636 10.359 1.00 1.30 C ATOM 831 SD MET A 272 -6.507 -7.682 11.786 1.00 2.03 S ATOM 832 CE MET A 272 -7.811 -8.722 11.131 1.00 2.52 C ATOM 0 H MET A 272 -6.044 -6.367 7.927 1.00 0.81 H new ATOM 0 HA MET A 272 -7.910 -4.370 8.399 1.00 0.97 H new ATOM 0 HB2 MET A 272 -7.809 -5.335 10.765 1.00 1.24 H new ATOM 0 HB3 MET A 272 -8.107 -6.494 9.485 1.00 1.24 H new ATOM 0 HG2 MET A 272 -5.809 -7.261 9.534 1.00 1.30 H new ATOM 0 HG3 MET A 272 -5.335 -5.958 10.607 1.00 1.30 H new ATOM 0 HE1 MET A 272 -7.989 -9.554 11.812 1.00 2.52 H new ATOM 0 HE2 MET A 272 -8.725 -8.137 11.026 1.00 2.52 H new ATOM 0 HE3 MET A 272 -7.513 -9.108 10.156 1.00 2.52 H new ATOM 842 N SER A 273 -4.983 -3.799 9.746 1.00 0.93 N ATOM 843 CA SER A 273 -4.158 -2.838 10.442 1.00 1.02 C ATOM 844 C SER A 273 -3.535 -1.834 9.481 1.00 0.91 C ATOM 845 O SER A 273 -3.040 -0.787 9.900 1.00 1.14 O ATOM 846 CB SER A 273 -3.071 -3.593 11.189 1.00 1.14 C ATOM 847 OG SER A 273 -2.508 -4.595 10.356 1.00 1.50 O ATOM 0 H SER A 273 -4.481 -4.633 9.442 1.00 0.93 H new ATOM 0 HA SER A 273 -4.779 -2.274 11.139 1.00 1.02 H new ATOM 0 HB2 SER A 273 -2.294 -2.900 11.513 1.00 1.14 H new ATOM 0 HB3 SER A 273 -3.487 -4.049 12.088 1.00 1.14 H new ATOM 0 HG SER A 273 -1.808 -5.073 10.847 1.00 1.50 H new ATOM 853 N GLY A 274 -3.560 -2.150 8.195 1.00 0.64 N ATOM 854 CA GLY A 274 -2.945 -1.272 7.226 1.00 0.61 C ATOM 855 C GLY A 274 -1.530 -1.690 6.910 1.00 0.49 C ATOM 856 O GLY A 274 -0.769 -0.935 6.320 1.00 0.57 O ATOM 0 H GLY A 274 -3.991 -2.990 7.809 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.536 -1.270 6.310 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.946 -0.251 7.608 1.00 0.61 H new ATOM 860 N GLN A 275 -1.170 -2.900 7.306 1.00 0.41 N ATOM 861 CA GLN A 275 0.167 -3.401 7.039 1.00 0.40 C ATOM 862 C GLN A 275 0.116 -4.276 5.802 1.00 0.32 C ATOM 863 O GLN A 275 0.041 -5.498 5.887 1.00 0.41 O ATOM 864 CB GLN A 275 0.686 -4.183 8.245 1.00 0.56 C ATOM 865 CG GLN A 275 2.176 -4.466 8.202 1.00 0.69 C ATOM 866 CD GLN A 275 2.674 -5.107 9.481 1.00 0.76 C ATOM 867 OE1 GLN A 275 1.951 -5.857 10.139 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.903 -4.796 9.852 1.00 0.81 N ATOM 0 H GLN A 275 -1.778 -3.547 7.808 1.00 0.41 H new ATOM 0 HA GLN A 275 0.852 -2.572 6.864 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.459 -3.624 9.153 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.149 -5.129 8.310 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.395 -5.122 7.360 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.716 -3.535 8.030 1.00 0.69 H new ATOM 0 HE21 GLN A 275 4.467 -4.171 9.276 1.00 0.81 H new ATOM 0 HE22 GLN A 275 4.288 -5.181 10.714 1.00 0.81 H new ATOM 877 N TRP A 276 0.145 -3.637 4.651 1.00 0.22 N ATOM 878 CA TRP A 276 -0.158 -4.313 3.410 1.00 0.17 C ATOM 879 C TRP A 276 1.070 -4.560 2.558 1.00 0.15 C ATOM 880 O TRP A 276 2.177 -4.121 2.875 1.00 0.19 O ATOM 881 CB TRP A 276 -1.172 -3.509 2.601 1.00 0.18 C ATOM 882 CG TRP A 276 -1.295 -2.070 2.990 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.314 -1.120 2.987 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.490 -1.416 3.411 1.00 0.28 C ATOM 885 NE1 TRP A 276 -0.827 0.081 3.408 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.162 -0.074 3.670 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.807 -1.837 3.601 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.104 0.847 4.110 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.742 -0.923 4.037 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.387 0.407 4.288 1.00 0.47 C ATOM 0 H TRP A 276 0.376 -2.649 4.551 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.573 -5.283 3.683 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.898 -3.562 1.547 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.149 -3.981 2.700 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.712 -1.289 2.697 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.300 0.948 3.509 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.089 -2.862 3.410 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -2.833 1.874 4.305 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.764 -1.238 4.187 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.141 1.100 4.629 1.00 0.47 H new ATOM 901 N GLU A 277 0.845 -5.259 1.458 1.00 0.12 N ATOM 902 CA GLU A 277 1.875 -5.514 0.487 1.00 0.12 C ATOM 903 C GLU A 277 1.672 -4.578 -0.679 1.00 0.11 C ATOM 904 O GLU A 277 0.594 -4.533 -1.229 1.00 0.12 O ATOM 905 CB GLU A 277 1.804 -6.954 -0.019 1.00 0.14 C ATOM 906 CG GLU A 277 2.266 -7.985 0.986 1.00 0.19 C ATOM 907 CD GLU A 277 2.339 -9.375 0.391 1.00 1.21 C ATOM 908 OE1 GLU A 277 2.778 -9.511 -0.768 1.00 1.55 O ATOM 909 OE2 GLU A 277 1.949 -10.343 1.083 1.00 2.07 O ATOM 0 H GLU A 277 -0.061 -5.663 1.220 1.00 0.12 H new ATOM 0 HA GLU A 277 2.848 -5.357 0.952 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.776 -7.177 -0.306 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.412 -7.042 -0.919 1.00 0.14 H new ATOM 0 HG2 GLU A 277 3.248 -7.703 1.367 1.00 0.19 H new ATOM 0 HG3 GLU A 277 1.584 -7.991 1.836 1.00 0.19 H new ATOM 916 N GLY A 278 2.697 -3.860 -1.066 1.00 0.13 N ATOM 917 CA GLY A 278 2.555 -2.897 -2.140 1.00 0.12 C ATOM 918 C GLY A 278 3.104 -3.422 -3.434 1.00 0.12 C ATOM 919 O GLY A 278 3.831 -4.415 -3.449 1.00 0.15 O ATOM 0 H GLY A 278 3.631 -3.919 -0.661 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.502 -2.646 -2.267 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.072 -1.975 -1.873 1.00 0.12 H new ATOM 923 N GLU A 279 2.749 -2.765 -4.515 1.00 0.11 N ATOM 924 CA GLU A 279 3.334 -3.053 -5.800 1.00 0.14 C ATOM 925 C GLU A 279 3.553 -1.736 -6.536 1.00 0.17 C ATOM 926 O GLU A 279 2.603 -1.009 -6.833 1.00 0.20 O ATOM 927 CB GLU A 279 2.414 -4.003 -6.584 1.00 0.20 C ATOM 928 CG GLU A 279 3.035 -4.610 -7.835 1.00 0.31 C ATOM 929 CD GLU A 279 2.846 -3.755 -9.070 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.790 -3.879 -9.726 1.00 1.27 O ATOM 931 OE2 GLU A 279 3.756 -2.974 -9.404 1.00 2.07 O ATOM 0 H GLU A 279 2.051 -2.021 -4.526 1.00 0.11 H new ATOM 0 HA GLU A 279 4.297 -3.552 -5.687 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.102 -4.811 -5.922 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.514 -3.459 -6.870 1.00 0.20 H new ATOM 0 HG2 GLU A 279 4.101 -4.762 -7.666 1.00 0.31 H new ATOM 0 HG3 GLU A 279 2.596 -5.592 -8.010 1.00 0.31 H new ATOM 938 N CYS A 280 4.809 -1.428 -6.814 1.00 0.20 N ATOM 939 CA CYS A 280 5.157 -0.163 -7.459 1.00 0.27 C ATOM 940 C CYS A 280 5.711 -0.370 -8.853 1.00 0.29 C ATOM 941 O CYS A 280 6.923 -0.468 -9.015 1.00 0.33 O ATOM 942 CB CYS A 280 6.252 0.544 -6.665 1.00 0.39 C ATOM 943 SG CYS A 280 6.075 2.334 -6.563 1.00 0.51 S ATOM 0 H CYS A 280 5.605 -2.031 -6.606 1.00 0.20 H new ATOM 0 HA CYS A 280 4.239 0.422 -7.503 1.00 0.27 H new ATOM 0 HB2 CYS A 280 6.269 0.136 -5.654 1.00 0.39 H new ATOM 0 HB3 CYS A 280 7.216 0.314 -7.118 1.00 0.39 H new ATOM 0 HG CYS A 280 4.813 2.644 -6.533 1.00 0.51 H new ATOM 949 N ASN A 281 4.852 -0.354 -9.859 1.00 0.37 N ATOM 950 CA ASN A 281 5.293 -0.534 -11.244 1.00 0.49 C ATOM 951 C ASN A 281 6.312 -1.675 -11.349 1.00 0.45 C ATOM 952 O ASN A 281 7.237 -1.632 -12.161 1.00 0.53 O ATOM 953 CB ASN A 281 5.896 0.767 -11.798 1.00 0.63 C ATOM 954 CG ASN A 281 4.850 1.815 -12.159 1.00 0.80 C ATOM 955 OD1 ASN A 281 5.059 2.628 -13.059 1.00 1.44 O ATOM 956 ND2 ASN A 281 3.725 1.821 -11.459 1.00 0.97 N ATOM 0 H ASN A 281 3.847 -0.219 -9.749 1.00 0.37 H new ATOM 0 HA ASN A 281 4.419 -0.794 -11.841 1.00 0.49 H new ATOM 0 HB2 ASN A 281 6.579 1.186 -11.059 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.488 0.536 -12.683 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.003 2.513 -11.660 1.00 0.97 H new ATOM 0 HD22 ASN A 281 3.581 1.134 -10.719 1.00 0.97 H new ATOM 963 N GLY A 282 6.096 -2.714 -10.553 1.00 0.37 N ATOM 964 CA GLY A 282 6.992 -3.843 -10.522 1.00 0.39 C ATOM 965 C GLY A 282 7.852 -3.960 -9.270 1.00 0.34 C ATOM 966 O GLY A 282 8.638 -4.901 -9.162 1.00 0.46 O ATOM 0 H GLY A 282 5.300 -2.790 -9.919 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.404 -4.755 -10.625 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.649 -3.788 -11.390 1.00 0.39 H new ATOM 970 N LYS A 283 7.727 -3.040 -8.318 1.00 0.25 N ATOM 971 CA LYS A 283 8.211 -3.326 -6.975 1.00 0.23 C ATOM 972 C LYS A 283 7.098 -4.028 -6.231 1.00 0.14 C ATOM 973 O LYS A 283 5.933 -3.748 -6.465 1.00 0.17 O ATOM 974 CB LYS A 283 8.616 -2.074 -6.172 1.00 0.33 C ATOM 975 CG LYS A 283 8.997 -0.886 -7.019 1.00 0.74 C ATOM 976 CD LYS A 283 10.318 -1.102 -7.675 1.00 0.61 C ATOM 977 CE LYS A 283 10.806 0.144 -8.395 1.00 1.28 C ATOM 978 NZ LYS A 283 9.888 0.562 -9.488 1.00 1.93 N ATOM 0 H LYS A 283 7.308 -2.119 -8.445 1.00 0.25 H new ATOM 0 HA LYS A 283 9.110 -3.933 -7.076 1.00 0.23 H new ATOM 0 HB2 LYS A 283 7.788 -1.791 -5.522 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.456 -2.328 -5.526 1.00 0.33 H new ATOM 0 HG2 LYS A 283 8.233 -0.715 -7.778 1.00 0.74 H new ATOM 0 HG3 LYS A 283 9.036 0.010 -6.399 1.00 0.74 H new ATOM 0 HD2 LYS A 283 11.051 -1.398 -6.925 1.00 0.61 H new ATOM 0 HD3 LYS A 283 10.240 -1.924 -8.386 1.00 0.61 H new ATOM 0 HE2 LYS A 283 10.908 0.959 -7.678 1.00 1.28 H new ATOM 0 HE3 LYS A 283 11.797 -0.043 -8.808 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 10.426 0.667 -10.372 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 9.149 -0.159 -9.616 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 9.446 1.471 -9.242 1.00 1.93 H new ATOM 992 N ARG A 284 7.457 -4.933 -5.363 1.00 0.16 N ATOM 993 CA ARG A 284 6.510 -5.579 -4.483 1.00 0.12 C ATOM 994 C ARG A 284 7.017 -5.352 -3.075 1.00 0.13 C ATOM 995 O ARG A 284 8.043 -4.710 -2.916 1.00 0.20 O ATOM 996 CB ARG A 284 6.402 -7.075 -4.814 1.00 0.18 C ATOM 997 CG ARG A 284 5.442 -7.861 -3.926 1.00 0.21 C ATOM 998 CD ARG A 284 3.986 -7.554 -4.231 1.00 0.26 C ATOM 999 NE ARG A 284 3.093 -8.380 -3.421 1.00 0.41 N ATOM 1000 CZ ARG A 284 2.143 -9.168 -3.918 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.973 -9.265 -5.230 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.392 -9.886 -3.096 1.00 0.67 N ATOM 0 H ARG A 284 8.419 -5.248 -5.242 1.00 0.16 H new ATOM 0 HA ARG A 284 5.507 -5.168 -4.598 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.084 -7.181 -5.851 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.393 -7.522 -4.737 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.621 -8.928 -4.058 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.648 -7.631 -2.881 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.785 -6.500 -4.039 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.788 -7.728 -5.289 1.00 0.26 H new ATOM 0 HE ARG A 284 3.205 -8.350 -2.408 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.572 -8.734 -5.862 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.243 -9.870 -5.606 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.544 -9.833 -2.089 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.662 -10.492 -3.470 1.00 0.67 H new ATOM 1016 N GLY A 285 6.272 -5.754 -2.065 1.00 0.14 N ATOM 1017 CA GLY A 285 6.826 -5.794 -0.734 1.00 0.18 C ATOM 1018 C GLY A 285 5.751 -5.693 0.296 1.00 0.14 C ATOM 1019 O GLY A 285 4.598 -5.916 -0.016 1.00 0.15 O ATOM 0 H GLY A 285 5.299 -6.052 -2.140 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.382 -6.721 -0.595 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.535 -4.976 -0.607 1.00 0.18 H new ATOM 1023 N HIS A 286 6.114 -5.344 1.512 1.00 0.15 N ATOM 1024 CA HIS A 286 5.134 -5.189 2.570 1.00 0.13 C ATOM 1025 C HIS A 286 5.601 -4.157 3.587 1.00 0.15 C ATOM 1026 O HIS A 286 6.695 -4.258 4.138 1.00 0.20 O ATOM 1027 CB HIS A 286 4.824 -6.541 3.232 1.00 0.18 C ATOM 1028 CG HIS A 286 6.005 -7.259 3.827 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.874 -8.340 4.669 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.337 -7.071 3.673 1.00 0.67 C ATOM 1031 CE1 HIS A 286 7.070 -8.784 5.005 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.977 -8.028 4.418 1.00 0.52 N ATOM 0 H HIS A 286 7.077 -5.162 1.794 1.00 0.15 H new ATOM 0 HA HIS A 286 4.206 -4.822 2.131 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.086 -6.380 4.018 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.362 -7.192 2.489 1.00 0.18 H new ATOM 0 HD1 HIS A 286 4.989 -8.737 4.984 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.809 -6.307 3.073 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.272 -9.625 5.652 1.00 0.65 H new ATOM 1041 N PHE A 287 4.771 -3.157 3.807 1.00 0.14 N ATOM 1042 CA PHE A 287 5.101 -2.055 4.695 1.00 0.17 C ATOM 1043 C PHE A 287 3.846 -1.566 5.413 1.00 0.20 C ATOM 1044 O PHE A 287 2.781 -1.467 4.805 1.00 0.29 O ATOM 1045 CB PHE A 287 5.764 -0.914 3.913 1.00 0.20 C ATOM 1046 CG PHE A 287 7.202 -1.167 3.564 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.144 -1.363 4.562 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.616 -1.196 2.245 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.470 -1.584 4.248 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.940 -1.411 1.924 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.869 -1.606 2.928 1.00 0.30 C ATOM 0 H PHE A 287 3.849 -3.083 3.377 1.00 0.14 H new ATOM 0 HA PHE A 287 5.811 -2.407 5.443 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.203 -0.743 2.994 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.699 0.001 4.501 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.837 -1.343 5.597 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.893 -1.048 1.456 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.194 -1.739 5.035 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.250 -1.427 0.890 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.906 -1.775 2.679 1.00 0.30 H new ATOM 1061 N PRO A 288 3.962 -1.259 6.717 1.00 0.22 N ATOM 1062 CA PRO A 288 2.812 -0.901 7.560 1.00 0.26 C ATOM 1063 C PRO A 288 2.202 0.462 7.226 1.00 0.24 C ATOM 1064 O PRO A 288 2.801 1.278 6.517 1.00 0.28 O ATOM 1065 CB PRO A 288 3.391 -0.882 8.985 1.00 0.33 C ATOM 1066 CG PRO A 288 4.745 -1.502 8.883 1.00 0.54 C ATOM 1067 CD PRO A 288 5.215 -1.244 7.484 1.00 0.32 C ATOM 0 HA PRO A 288 1.996 -1.609 7.415 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.455 0.137 9.367 1.00 0.33 H new ATOM 0 HB3 PRO A 288 2.756 -1.441 9.672 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.429 -1.066 9.611 1.00 0.54 H new ATOM 0 HG3 PRO A 288 4.701 -2.572 9.088 1.00 0.54 H new ATOM 0 HD2 PRO A 288 5.731 -0.287 7.400 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.909 -2.011 7.142 1.00 0.32 H new ATOM 1075 N PHE A 289 1.015 0.701 7.784 1.00 0.31 N ATOM 1076 CA PHE A 289 0.270 1.941 7.572 1.00 0.37 C ATOM 1077 C PHE A 289 0.938 3.099 8.311 1.00 0.33 C ATOM 1078 O PHE A 289 0.652 4.271 8.063 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.169 1.767 8.073 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.079 2.912 7.728 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.702 2.962 6.497 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -2.311 3.934 8.633 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -3.541 4.006 6.169 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -3.149 4.984 8.312 1.00 1.12 C ATOM 1085 CZ PHE A 289 -3.765 5.021 7.077 1.00 0.50 C ATOM 0 H PHE A 289 0.542 0.038 8.398 1.00 0.31 H new ATOM 0 HA PHE A 289 0.260 2.168 6.506 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.581 0.850 7.652 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.153 1.642 9.156 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -2.530 2.172 5.781 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -1.831 3.910 9.600 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -4.022 4.029 5.202 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -3.322 5.775 9.026 1.00 1.12 H new ATOM 0 HZ PHE A 289 -4.420 5.841 6.822 1.00 0.50 H new ATOM 1095 N THR A 290 1.867 2.744 9.183 1.00 0.33 N ATOM 1096 CA THR A 290 2.467 3.663 10.133 1.00 0.41 C ATOM 1097 C THR A 290 3.200 4.840 9.478 1.00 0.38 C ATOM 1098 O THR A 290 3.561 5.796 10.160 1.00 0.57 O ATOM 1099 CB THR A 290 3.443 2.888 11.030 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.399 2.192 10.225 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.699 1.883 11.893 1.00 0.61 C ATOM 0 H THR A 290 2.231 1.793 9.251 1.00 0.33 H new ATOM 0 HA THR A 290 1.651 4.095 10.713 1.00 0.41 H new ATOM 0 HB THR A 290 3.952 3.604 11.675 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.995 2.839 9.793 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.410 1.345 12.520 1.00 0.61 H new ATOM 0 HG22 THR A 290 1.981 2.407 12.525 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.171 1.175 11.254 1.00 0.61 H new ATOM 1109 N HIS A 291 3.407 4.785 8.166 1.00 0.25 N ATOM 1110 CA HIS A 291 4.144 5.831 7.468 1.00 0.26 C ATOM 1111 C HIS A 291 3.715 5.900 6.011 1.00 0.23 C ATOM 1112 O HIS A 291 4.491 6.272 5.127 1.00 0.26 O ATOM 1113 CB HIS A 291 5.663 5.614 7.596 1.00 0.35 C ATOM 1114 CG HIS A 291 6.112 4.190 7.427 1.00 0.40 C ATOM 1115 ND1 HIS A 291 6.256 3.319 8.480 1.00 1.01 N ATOM 1116 CD2 HIS A 291 6.474 3.499 6.326 1.00 1.26 C ATOM 1117 CE1 HIS A 291 6.688 2.158 8.035 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.833 2.234 6.726 1.00 0.88 N ATOM 0 H HIS A 291 3.076 4.029 7.567 1.00 0.25 H new ATOM 0 HA HIS A 291 3.910 6.788 7.934 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.168 6.230 6.852 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.985 5.968 8.575 1.00 0.35 H new ATOM 0 HD2 HIS A 291 6.480 3.873 5.313 1.00 1.26 H new ATOM 0 HE1 HIS A 291 6.890 1.287 8.641 1.00 0.72 H new ATOM 0 HE2 HIS A 291 7.156 1.483 6.116 1.00 0.88 H new ATOM 1127 N VAL A 292 2.465 5.530 5.771 1.00 0.21 N ATOM 1128 CA VAL A 292 1.861 5.648 4.455 1.00 0.21 C ATOM 1129 C VAL A 292 0.458 6.227 4.573 1.00 0.24 C ATOM 1130 O VAL A 292 -0.209 6.061 5.596 1.00 0.32 O ATOM 1131 CB VAL A 292 1.788 4.291 3.735 1.00 0.23 C ATOM 1132 CG1 VAL A 292 3.178 3.714 3.539 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.918 3.319 4.503 1.00 0.51 C ATOM 0 H VAL A 292 1.845 5.141 6.481 1.00 0.21 H new ATOM 0 HA VAL A 292 2.493 6.314 3.867 1.00 0.21 H new ATOM 0 HB VAL A 292 1.338 4.453 2.755 1.00 0.23 H new ATOM 0 HG11 VAL A 292 3.105 2.754 3.028 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.775 4.400 2.939 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.654 3.573 4.510 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.882 2.367 3.974 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.335 3.166 5.498 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.090 3.724 4.590 1.00 0.51 H new ATOM 1143 N ARG A 293 0.023 6.923 3.536 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.289 7.555 3.525 1.00 0.24 C ATOM 1145 C ARG A 293 -1.963 7.279 2.209 1.00 0.24 C ATOM 1146 O ARG A 293 -1.578 7.817 1.176 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.139 9.055 3.730 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.263 9.412 4.920 1.00 0.38 C ATOM 1149 CD ARG A 293 -0.967 9.144 6.242 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.107 9.444 7.386 1.00 0.55 N ATOM 1151 CZ ARG A 293 0.109 8.611 8.409 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.442 7.401 8.428 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.901 8.986 9.402 1.00 0.74 N ATOM 0 H ARG A 293 0.564 7.066 2.683 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.897 7.149 4.333 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.715 9.498 2.829 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.126 9.497 3.868 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.661 8.835 4.877 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.015 10.464 4.863 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.873 9.747 6.300 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.276 8.100 6.284 1.00 0.45 H new ATOM 0 HE ARG A 293 0.360 10.351 7.405 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.037 7.099 7.656 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.270 6.774 9.214 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.342 9.906 9.383 1.00 0.74 H new ATOM 0 HH22 ARG A 293 1.070 8.355 10.186 1.00 0.74 H new ATOM 1167 N LEU A 294 -2.973 6.450 2.246 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.447 5.838 1.036 1.00 0.26 C ATOM 1169 C LEU A 294 -4.590 6.547 0.369 1.00 0.27 C ATOM 1170 O LEU A 294 -5.261 7.416 0.921 1.00 0.34 O ATOM 1171 CB LEU A 294 -3.803 4.376 1.270 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.176 4.090 1.888 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -5.329 2.608 2.014 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -5.342 4.758 3.247 1.00 1.31 C ATOM 0 H LEU A 294 -3.478 6.186 3.092 1.00 0.23 H new ATOM 0 HA LEU A 294 -2.610 5.916 0.342 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.745 3.855 0.314 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -3.042 3.940 1.917 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.949 4.504 1.241 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -6.300 2.378 2.452 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -5.259 2.150 1.028 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -4.540 2.214 2.654 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.329 4.528 3.647 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -4.578 4.387 3.930 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -5.237 5.837 3.137 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.757 6.117 -0.854 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.716 6.628 -1.777 1.00 0.31 C ATOM 1188 C LEU A 295 -6.807 5.604 -2.004 1.00 0.36 C ATOM 1189 O LEU A 295 -7.051 5.160 -3.126 1.00 0.52 O ATOM 1190 CB LEU A 295 -5.027 6.949 -3.082 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.210 8.233 -3.119 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.931 8.121 -2.296 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.901 8.544 -4.557 1.00 0.39 C ATOM 0 H LEU A 295 -4.195 5.362 -1.246 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.166 7.535 -1.373 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -4.368 6.118 -3.334 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.785 7.004 -3.864 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.788 9.042 -2.672 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.380 9.060 -2.351 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.184 7.909 -1.257 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.314 7.314 -2.691 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.315 9.461 -4.613 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -3.332 7.723 -4.993 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.832 8.674 -5.109 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.396 5.213 -0.901 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.409 4.164 -0.848 1.00 0.66 C ATOM 1207 C ASP A 296 -9.431 4.263 -1.976 1.00 0.86 C ATOM 1208 O ASP A 296 -9.961 5.335 -2.276 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.120 4.182 0.513 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.516 5.576 0.971 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -10.591 6.065 0.570 1.00 1.97 O ATOM 1212 OD2 ASP A 296 -8.752 6.180 1.758 1.00 1.84 O ATOM 0 H ASP A 296 -7.186 5.619 0.011 1.00 0.55 H new ATOM 0 HA ASP A 296 -7.886 3.217 -0.980 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -10.013 3.559 0.456 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -8.466 3.734 1.262 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.657 3.133 -2.622 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.681 3.011 -3.646 1.00 0.87 C ATOM 1219 C GLN A 297 -11.818 2.171 -3.097 1.00 1.60 C ATOM 1220 O GLN A 297 -12.888 2.740 -2.795 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.120 2.371 -4.927 1.00 1.01 C ATOM 1222 CG GLN A 297 -8.935 3.120 -5.511 1.00 2.20 C ATOM 1223 CD GLN A 297 -9.309 4.477 -6.067 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -9.660 4.601 -7.239 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -9.226 5.505 -5.238 1.00 3.77 N ATOM 1226 OXT GLN A 297 -11.623 0.952 -2.939 1.00 2.17 O ATOM 0 H GLN A 297 -9.136 2.273 -2.452 1.00 0.62 H new ATOM 0 HA GLN A 297 -11.040 4.006 -3.908 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -9.820 1.346 -4.710 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -10.912 2.320 -5.675 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -8.176 3.246 -4.739 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -8.487 2.520 -6.303 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -8.930 5.359 -4.273 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -9.458 6.443 -5.564 1.00 3.77 H new TER 1235 GLN A 297