USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 740 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 251 GLN : amide:sc= 0.439 K(o=0.44,f=-0.82) USER MOD Set 1.2: A 260 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 234 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 270 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 218 LYS NZ :NH3+ -175:sc= 1.54 (180deg=1.07) USER MOD Set 3.2: A 293 CYS SG : rot 40:sc= -0.923 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 LYS NZ :NH3+ 170:sc= 1.12 (180deg=1) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 THR OG1 : rot 180:sc= 0 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.439 F(o=-2.8!,f=-0.44) USER MOD Single : A 217 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0197) USER MOD Single : A 223 TYR OH : rot -140:sc= -0.344 USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HE2:sc= 1.02 K(o=1,f=-3.4!) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.647 F(o=-2.7!,f=0.65) USER MOD Single : A 245 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 LYS NZ :NH3+ -123:sc= 1.24 (180deg=-0.506) USER MOD Single : A 249 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.7) USER MOD Single : A 254 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.78) USER MOD Single : A 255 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 256 SER OG : rot 180:sc= 0 USER MOD Single : A 258 SER OG : rot 180:sc= -0.162 USER MOD Single : A 259 LYS NZ :NH3+ -165:sc= -0.0575 (180deg=-0.302) USER MOD Single : A 264 SER OG : rot -170:sc= 0 USER MOD Single : A 268 LYS NZ :NH3+ -116:sc= 1.26 (180deg=-0.618) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 160:sc= -1.91! USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 276 CYS SG : rot 150:sc= -3.12! USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 284 TYR OH : rot 180:sc= -0.916 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.5! C(o=-16!,f=-12!) USER MOD Single : A 286 CYS SG : rot 125:sc= -3.89! USER MOD Single : A 292 LYS NZ :NH3+ -156:sc= -0.138 (180deg=-0.632) USER MOD Single : A 294 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 295 THR OG1 : rot -149:sc= -2.88! USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 208 7.885 -14.371 -5.435 1.00 3.09 N ATOM 2 CA ASP A 208 7.171 -14.540 -4.146 1.00 2.68 C ATOM 3 C ASP A 208 6.999 -13.202 -3.447 1.00 1.97 C ATOM 4 O ASP A 208 7.970 -12.466 -3.259 1.00 2.14 O ATOM 5 CB ASP A 208 7.968 -15.481 -3.230 1.00 3.41 C ATOM 6 CG ASP A 208 8.024 -16.908 -3.728 1.00 4.18 C ATOM 7 OD1 ASP A 208 8.590 -17.143 -4.816 1.00 4.71 O ATOM 8 OD2 ASP A 208 7.534 -17.810 -3.013 1.00 4.43 O ATOM 0 HA ASP A 208 6.188 -14.963 -4.354 1.00 2.68 H new ATOM 0 HB2 ASP A 208 8.984 -15.100 -3.128 1.00 3.41 H new ATOM 0 HB3 ASP A 208 7.522 -15.469 -2.235 1.00 3.41 H new ATOM 13 N GLU A 209 5.800 -12.948 -2.945 1.00 1.38 N ATOM 14 CA GLU A 209 5.580 -11.785 -2.104 1.00 0.90 C ATOM 15 C GLU A 209 6.107 -12.088 -0.708 1.00 0.92 C ATOM 16 O GLU A 209 5.802 -13.142 -0.146 1.00 1.33 O ATOM 17 CB GLU A 209 4.098 -11.410 -2.045 1.00 1.00 C ATOM 18 CG GLU A 209 3.541 -10.843 -3.344 1.00 0.81 C ATOM 19 CD GLU A 209 3.250 -11.905 -4.383 1.00 1.10 C ATOM 20 OE1 GLU A 209 2.440 -12.814 -4.098 1.00 1.52 O ATOM 21 OE2 GLU A 209 3.828 -11.837 -5.485 1.00 1.51 O ATOM 0 H GLU A 209 4.974 -13.525 -3.104 1.00 1.38 H new ATOM 0 HA GLU A 209 6.112 -10.933 -2.528 1.00 0.90 H new ATOM 0 HB2 GLU A 209 3.522 -12.295 -1.772 1.00 1.00 H new ATOM 0 HB3 GLU A 209 3.952 -10.678 -1.251 1.00 1.00 H new ATOM 0 HG2 GLU A 209 2.625 -10.293 -3.129 1.00 0.81 H new ATOM 0 HG3 GLU A 209 4.253 -10.127 -3.755 1.00 0.81 H new ATOM 28 N LYS A 210 7.027 -11.257 -0.243 1.00 1.02 N ATOM 29 CA LYS A 210 7.762 -11.528 0.986 1.00 1.23 C ATOM 30 C LYS A 210 8.622 -10.322 1.338 1.00 1.22 C ATOM 31 O LYS A 210 8.967 -9.539 0.451 1.00 1.70 O ATOM 32 CB LYS A 210 8.652 -12.766 0.784 1.00 1.64 C ATOM 33 CG LYS A 210 9.474 -13.167 1.997 1.00 2.30 C ATOM 34 CD LYS A 210 10.394 -14.331 1.671 1.00 2.91 C ATOM 35 CE LYS A 210 11.250 -14.733 2.862 1.00 3.69 C ATOM 36 NZ LYS A 210 12.185 -15.836 2.518 1.00 4.13 N ATOM 0 H LYS A 210 7.285 -10.383 -0.701 1.00 1.02 H new ATOM 0 HA LYS A 210 7.062 -11.718 1.800 1.00 1.23 H new ATOM 0 HB2 LYS A 210 8.020 -13.607 0.497 1.00 1.64 H new ATOM 0 HB3 LYS A 210 9.329 -12.577 -0.049 1.00 1.64 H new ATOM 0 HG2 LYS A 210 10.065 -12.317 2.338 1.00 2.30 H new ATOM 0 HG3 LYS A 210 8.810 -13.442 2.816 1.00 2.30 H new ATOM 0 HD2 LYS A 210 9.798 -15.185 1.349 1.00 2.91 H new ATOM 0 HD3 LYS A 210 11.040 -14.060 0.836 1.00 2.91 H new ATOM 0 HE2 LYS A 210 11.817 -13.870 3.210 1.00 3.69 H new ATOM 0 HE3 LYS A 210 10.606 -15.045 3.685 1.00 3.69 H new ATOM 0 HZ1 LYS A 210 12.752 -16.084 3.354 1.00 4.13 H new ATOM 0 HZ2 LYS A 210 11.642 -16.668 2.209 1.00 4.13 H new ATOM 0 HZ3 LYS A 210 12.816 -15.530 1.750 1.00 4.13 H new ATOM 50 N LYS A 211 8.972 -10.170 2.614 1.00 0.88 N ATOM 51 CA LYS A 211 9.848 -9.084 3.022 1.00 0.88 C ATOM 52 C LYS A 211 11.169 -9.176 2.275 1.00 0.95 C ATOM 53 O LYS A 211 11.763 -10.252 2.144 1.00 1.30 O ATOM 54 CB LYS A 211 10.067 -9.070 4.535 1.00 1.13 C ATOM 55 CG LYS A 211 8.911 -8.434 5.291 1.00 1.10 C ATOM 56 CD LYS A 211 8.654 -7.008 4.816 1.00 0.94 C ATOM 57 CE LYS A 211 9.267 -5.964 5.743 1.00 0.58 C ATOM 58 NZ LYS A 211 10.742 -6.101 5.871 1.00 1.33 N ATOM 0 H LYS A 211 8.665 -10.779 3.372 1.00 0.88 H new ATOM 0 HA LYS A 211 9.365 -8.141 2.765 1.00 0.88 H new ATOM 0 HB2 LYS A 211 10.207 -10.092 4.887 1.00 1.13 H new ATOM 0 HB3 LYS A 211 10.985 -8.527 4.760 1.00 1.13 H new ATOM 0 HG2 LYS A 211 8.011 -9.033 5.153 1.00 1.10 H new ATOM 0 HG3 LYS A 211 9.131 -8.430 6.359 1.00 1.10 H new ATOM 0 HD2 LYS A 211 9.063 -6.883 3.813 1.00 0.94 H new ATOM 0 HD3 LYS A 211 7.579 -6.840 4.745 1.00 0.94 H new ATOM 0 HE2 LYS A 211 9.031 -4.968 5.368 1.00 0.58 H new ATOM 0 HE3 LYS A 211 8.812 -6.049 6.730 1.00 0.58 H new ATOM 0 HZ1 LYS A 211 11.125 -5.273 6.370 1.00 1.33 H new ATOM 0 HZ2 LYS A 211 10.965 -6.963 6.408 1.00 1.33 H new ATOM 0 HZ3 LYS A 211 11.168 -6.162 4.924 1.00 1.33 H new ATOM 72 N SER A 212 11.494 -8.075 1.631 1.00 1.04 N ATOM 73 CA SER A 212 12.583 -7.996 0.677 1.00 1.39 C ATOM 74 C SER A 212 12.569 -6.601 0.123 1.00 1.11 C ATOM 75 O SER A 212 13.600 -5.953 -0.062 1.00 1.73 O ATOM 76 CB SER A 212 12.328 -8.951 -0.476 1.00 1.91 C ATOM 77 OG SER A 212 13.537 -9.360 -1.095 1.00 2.46 O ATOM 0 H SER A 212 11.000 -7.192 1.758 1.00 1.04 H new ATOM 0 HA SER A 212 13.529 -8.247 1.156 1.00 1.39 H new ATOM 0 HB2 SER A 212 11.791 -9.827 -0.111 1.00 1.91 H new ATOM 0 HB3 SER A 212 11.687 -8.468 -1.213 1.00 1.91 H new ATOM 0 HG SER A 212 13.336 -9.975 -1.831 1.00 2.46 H new ATOM 83 N THR A 213 11.339 -6.167 -0.103 1.00 0.75 N ATOM 84 CA THR A 213 11.021 -4.853 -0.592 1.00 0.42 C ATOM 85 C THR A 213 11.760 -3.789 0.187 1.00 0.62 C ATOM 86 O THR A 213 12.093 -3.982 1.360 1.00 1.59 O ATOM 87 CB THR A 213 9.508 -4.625 -0.445 1.00 0.48 C ATOM 88 OG1 THR A 213 9.126 -4.823 0.924 1.00 1.20 O ATOM 89 CG2 THR A 213 8.741 -5.591 -1.312 1.00 0.93 C ATOM 0 H THR A 213 10.514 -6.746 0.057 1.00 0.75 H new ATOM 0 HA THR A 213 11.322 -4.785 -1.637 1.00 0.42 H new ATOM 0 HB THR A 213 9.278 -3.606 -0.756 1.00 0.48 H new ATOM 0 HG1 THR A 213 8.162 -4.676 1.019 1.00 1.20 H new ATOM 0 HG21 THR A 213 7.672 -5.415 -1.195 1.00 0.93 H new ATOM 0 HG22 THR A 213 9.021 -5.445 -2.355 1.00 0.93 H new ATOM 0 HG23 THR A 213 8.975 -6.613 -1.013 1.00 0.93 H new ATOM 97 N ALA A 214 11.957 -2.642 -0.434 1.00 0.50 N ATOM 98 CA ALA A 214 12.587 -1.520 0.235 1.00 0.39 C ATOM 99 C ALA A 214 11.665 -0.915 1.282 1.00 0.25 C ATOM 100 O ALA A 214 11.815 0.245 1.654 1.00 0.27 O ATOM 101 CB ALA A 214 12.978 -0.470 -0.770 1.00 0.48 C ATOM 0 H ALA A 214 11.690 -2.462 -1.402 1.00 0.50 H new ATOM 0 HA ALA A 214 13.481 -1.888 0.739 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.450 0.368 -0.256 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.678 -0.897 -1.488 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.089 -0.119 -1.295 1.00 0.48 H new ATOM 107 N PHE A 215 10.791 -1.735 1.832 1.00 0.25 N ATOM 108 CA PHE A 215 9.968 -1.340 2.937 1.00 0.18 C ATOM 109 C PHE A 215 10.533 -1.985 4.176 1.00 0.21 C ATOM 110 O PHE A 215 10.392 -3.189 4.375 1.00 0.28 O ATOM 111 CB PHE A 215 8.510 -1.773 2.720 1.00 0.20 C ATOM 112 CG PHE A 215 7.929 -1.312 1.409 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.378 -1.834 0.206 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.939 -0.346 1.381 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.852 -1.400 -0.992 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.412 0.095 0.183 1.00 0.31 C ATOM 117 CZ PHE A 215 6.870 -0.431 -1.005 1.00 0.35 C ATOM 0 H PHE A 215 10.638 -2.693 1.518 1.00 0.25 H new ATOM 0 HA PHE A 215 9.968 -0.255 3.036 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.452 -2.860 2.770 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.900 -1.383 3.535 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.149 -2.590 0.207 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.573 0.069 2.309 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.209 -1.819 -1.921 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.641 0.852 0.178 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.462 -0.086 -1.943 1.00 0.35 H new ATOM 127 N GLN A 216 11.223 -1.170 4.958 1.00 0.18 N ATOM 128 CA GLN A 216 11.841 -1.594 6.200 1.00 0.21 C ATOM 129 C GLN A 216 10.877 -2.472 6.971 1.00 0.24 C ATOM 130 O GLN A 216 11.128 -3.660 7.191 1.00 0.31 O ATOM 131 CB GLN A 216 12.174 -0.353 7.018 1.00 0.20 C ATOM 132 CG GLN A 216 13.552 -0.396 7.660 1.00 0.25 C ATOM 133 CD GLN A 216 13.904 0.872 8.416 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.110 1.915 8.238 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.902 0.921 9.135 1.00 0.79 N flip ATOM 0 H GLN A 216 11.370 -0.184 4.744 1.00 0.18 H new ATOM 0 HA GLN A 216 12.749 -2.162 5.996 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.110 0.524 6.374 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.423 -0.231 7.798 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.600 -1.243 8.344 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.300 -0.568 6.886 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.490 0.095 9.248 1.00 0.79 H new ATOM 0 HE22 GLN A 216 15.141 1.787 9.618 1.00 0.79 H new ATOM 144 N LYS A 217 9.688 -1.935 7.156 1.00 0.20 N ATOM 145 CA LYS A 217 8.583 -2.704 7.657 1.00 0.22 C ATOM 146 C LYS A 217 7.322 -2.403 6.851 1.00 0.17 C ATOM 147 O LYS A 217 6.821 -1.282 6.880 1.00 0.17 O ATOM 148 CB LYS A 217 8.359 -2.373 9.129 1.00 0.28 C ATOM 149 CG LYS A 217 7.096 -2.980 9.695 1.00 0.36 C ATOM 150 CD LYS A 217 6.806 -2.451 11.083 1.00 0.59 C ATOM 151 CE LYS A 217 5.468 -2.949 11.603 1.00 1.26 C ATOM 152 NZ LYS A 217 5.474 -4.416 11.842 1.00 1.85 N ATOM 0 H LYS A 217 9.468 -0.958 6.962 1.00 0.20 H new ATOM 0 HA LYS A 217 8.811 -3.765 7.558 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.213 -2.725 9.707 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.318 -1.290 9.248 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.256 -2.758 9.036 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.195 -4.065 9.730 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.599 -2.760 11.764 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.807 -1.361 11.065 1.00 0.59 H new ATOM 0 HE2 LYS A 217 5.225 -2.432 12.531 1.00 1.26 H new ATOM 0 HE3 LYS A 217 4.686 -2.702 10.885 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 4.560 -4.706 12.244 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 5.630 -4.914 10.942 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 6.236 -4.656 12.507 1.00 1.85 H new ATOM 166 N LYS A 218 6.709 -3.440 6.311 1.00 0.19 N ATOM 167 CA LYS A 218 5.373 -3.318 5.746 1.00 0.20 C ATOM 168 C LYS A 218 4.365 -3.528 6.872 1.00 0.18 C ATOM 169 O LYS A 218 4.581 -4.377 7.739 1.00 0.20 O ATOM 170 CB LYS A 218 5.155 -4.344 4.616 1.00 0.31 C ATOM 171 CG LYS A 218 3.703 -4.487 4.166 1.00 0.39 C ATOM 172 CD LYS A 218 3.397 -5.924 3.774 1.00 0.96 C ATOM 173 CE LYS A 218 3.538 -6.861 4.967 1.00 1.56 C ATOM 174 NZ LYS A 218 3.404 -8.289 4.579 1.00 2.42 N ATOM 0 H LYS A 218 7.112 -4.375 6.250 1.00 0.19 H new ATOM 0 HA LYS A 218 5.244 -2.329 5.307 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.762 -4.056 3.758 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.517 -5.317 4.950 1.00 0.31 H new ATOM 0 HG2 LYS A 218 3.036 -4.175 4.970 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.513 -3.826 3.320 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.384 -5.988 3.376 1.00 0.96 H new ATOM 0 HD3 LYS A 218 4.073 -6.239 2.979 1.00 0.96 H new ATOM 0 HE2 LYS A 218 4.509 -6.704 5.437 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.780 -6.616 5.711 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 3.422 -8.884 5.432 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 2.504 -8.430 4.078 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 4.193 -8.555 3.955 1.00 2.42 H new ATOM 188 N LEU A 219 3.312 -2.722 6.900 1.00 0.16 N ATOM 189 CA LEU A 219 2.301 -2.818 7.949 1.00 0.16 C ATOM 190 C LEU A 219 1.641 -4.200 7.940 1.00 0.16 C ATOM 191 O LEU A 219 1.856 -4.989 7.016 1.00 0.17 O ATOM 192 CB LEU A 219 1.241 -1.723 7.800 1.00 0.20 C ATOM 193 CG LEU A 219 1.101 -0.769 8.993 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.483 -1.480 10.184 1.00 1.20 C ATOM 195 CD2 LEU A 219 2.452 -0.183 9.370 1.00 1.62 C ATOM 0 H LEU A 219 3.134 -1.993 6.209 1.00 0.16 H new ATOM 0 HA LEU A 219 2.803 -2.676 8.906 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.475 -1.135 6.913 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.276 -2.198 7.623 1.00 0.20 H new ATOM 0 HG LEU A 219 0.439 0.045 8.699 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.394 -0.783 11.018 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.506 -1.851 9.914 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.117 -2.317 10.477 1.00 1.20 H new ATOM 0 HD21 LEU A 219 2.332 0.491 10.218 1.00 1.62 H new ATOM 0 HD22 LEU A 219 3.135 -0.988 9.640 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.859 0.369 8.522 1.00 1.62 H new ATOM 207 N GLU A 220 0.907 -4.504 9.007 1.00 0.17 N ATOM 208 CA GLU A 220 0.265 -5.807 9.180 1.00 0.20 C ATOM 209 C GLU A 220 -0.443 -6.255 7.901 1.00 0.19 C ATOM 210 O GLU A 220 -1.048 -5.443 7.206 1.00 0.19 O ATOM 211 CB GLU A 220 -0.755 -5.722 10.319 1.00 0.23 C ATOM 212 CG GLU A 220 -1.792 -4.619 10.124 1.00 0.24 C ATOM 213 CD GLU A 220 -2.786 -4.536 11.262 1.00 0.75 C ATOM 214 OE1 GLU A 220 -2.714 -5.372 12.187 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.648 -3.634 11.238 1.00 1.12 O ATOM 0 H GLU A 220 0.740 -3.856 9.776 1.00 0.17 H new ATOM 0 HA GLU A 220 1.038 -6.538 9.416 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.267 -6.680 10.410 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.227 -5.552 11.257 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.281 -3.661 10.024 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.329 -4.793 9.192 1.00 0.24 H new ATOM 222 N PRO A 221 -0.313 -7.547 7.546 1.00 0.22 N ATOM 223 CA PRO A 221 -0.864 -8.107 6.297 1.00 0.23 C ATOM 224 C PRO A 221 -2.390 -8.117 6.239 1.00 0.20 C ATOM 225 O PRO A 221 -2.975 -8.958 5.564 1.00 0.19 O ATOM 226 CB PRO A 221 -0.326 -9.541 6.278 1.00 0.29 C ATOM 227 CG PRO A 221 0.004 -9.847 7.696 1.00 0.57 C ATOM 228 CD PRO A 221 0.457 -8.551 8.298 1.00 0.26 C ATOM 0 HA PRO A 221 -0.569 -7.501 5.440 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.069 -10.236 5.887 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.555 -9.624 5.641 1.00 0.29 H new ATOM 0 HG2 PRO A 221 -0.865 -10.241 8.224 1.00 0.57 H new ATOM 0 HG3 PRO A 221 0.786 -10.603 7.761 1.00 0.57 H new ATOM 0 HD2 PRO A 221 0.243 -8.506 9.366 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.531 -8.406 8.181 1.00 0.26 H new ATOM 236 N ALA A 222 -3.013 -7.091 6.795 1.00 0.20 N ATOM 237 CA ALA A 222 -4.451 -6.911 6.695 1.00 0.19 C ATOM 238 C ALA A 222 -4.815 -5.456 6.913 1.00 0.15 C ATOM 239 O ALA A 222 -5.201 -5.051 8.012 1.00 0.17 O ATOM 240 CB ALA A 222 -5.191 -7.786 7.688 1.00 0.24 C ATOM 0 H ALA A 222 -2.538 -6.362 7.327 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.754 -7.211 5.692 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.264 -7.626 7.585 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.960 -8.833 7.493 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.881 -7.529 8.701 1.00 0.24 H new ATOM 246 N TYR A 223 -4.731 -4.688 5.847 1.00 0.12 N ATOM 247 CA TYR A 223 -5.110 -3.289 5.888 1.00 0.11 C ATOM 248 C TYR A 223 -6.631 -3.193 5.828 1.00 0.13 C ATOM 249 O TYR A 223 -7.262 -3.851 4.997 1.00 0.17 O ATOM 250 CB TYR A 223 -4.489 -2.525 4.706 1.00 0.12 C ATOM 251 CG TYR A 223 -2.975 -2.360 4.746 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.163 -3.209 5.486 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.358 -1.349 4.020 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.785 -3.055 5.496 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.980 -1.196 4.024 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.204 -2.049 4.760 1.00 0.16 C ATOM 257 OH TYR A 223 1.166 -1.900 4.759 1.00 0.21 O ATOM 0 H TYR A 223 -4.402 -5.010 4.937 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.743 -2.841 6.812 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.755 -3.042 3.784 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.942 -1.535 4.659 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.612 -4.003 6.064 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.964 -0.668 3.441 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.170 -3.723 6.080 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.521 -0.406 3.448 1.00 0.20 H new ATOM 0 HH TYR A 223 1.391 -0.947 4.788 1.00 0.21 H new ATOM 267 N GLN A 224 -7.223 -2.438 6.743 1.00 0.15 N ATOM 268 CA GLN A 224 -8.671 -2.316 6.794 1.00 0.18 C ATOM 269 C GLN A 224 -9.111 -0.951 6.283 1.00 0.17 C ATOM 270 O GLN A 224 -9.032 0.042 7.006 1.00 0.22 O ATOM 271 CB GLN A 224 -9.182 -2.524 8.221 1.00 0.26 C ATOM 272 CG GLN A 224 -8.838 -3.885 8.801 1.00 0.34 C ATOM 273 CD GLN A 224 -9.432 -4.094 10.177 1.00 0.61 C ATOM 274 OE1 GLN A 224 -9.188 -3.314 11.100 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.226 -5.143 10.322 1.00 0.99 N ATOM 0 H GLN A 224 -6.725 -1.904 7.456 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.096 -3.088 6.153 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.764 -1.749 8.864 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.265 -2.398 8.232 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.200 -4.664 8.130 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.754 -3.990 8.857 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.401 -5.763 9.531 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.663 -5.331 11.224 1.00 0.99 H new ATOM 284 N VAL A 225 -9.548 -0.891 5.031 1.00 0.16 N ATOM 285 CA VAL A 225 -9.976 0.375 4.458 1.00 0.18 C ATOM 286 C VAL A 225 -11.322 0.799 5.009 1.00 0.24 C ATOM 287 O VAL A 225 -12.314 0.085 4.872 1.00 0.30 O ATOM 288 CB VAL A 225 -10.024 0.357 2.904 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.655 -0.906 2.362 1.00 0.77 C ATOM 290 CG2 VAL A 225 -10.748 1.589 2.362 1.00 0.77 C ATOM 0 H VAL A 225 -9.614 -1.692 4.403 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.220 1.104 4.750 1.00 0.18 H new ATOM 0 HB VAL A 225 -8.990 0.378 2.560 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -10.665 -0.869 1.273 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -10.079 -1.771 2.691 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -11.677 -0.989 2.731 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.767 1.550 1.273 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -11.769 1.607 2.742 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -10.225 2.489 2.684 1.00 0.77 H new ATOM 300 N SER A 226 -11.382 2.033 5.467 1.00 0.26 N ATOM 301 CA SER A 226 -12.652 2.627 5.803 1.00 0.33 C ATOM 302 C SER A 226 -13.318 3.037 4.502 1.00 0.32 C ATOM 303 O SER A 226 -12.748 3.819 3.742 1.00 0.32 O ATOM 304 CB SER A 226 -12.461 3.817 6.739 1.00 0.42 C ATOM 305 OG SER A 226 -11.841 3.405 7.945 1.00 1.20 O ATOM 0 H SER A 226 -10.572 2.636 5.613 1.00 0.26 H new ATOM 0 HA SER A 226 -13.284 1.916 6.334 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.851 4.577 6.251 1.00 0.42 H new ATOM 0 HB3 SER A 226 -13.426 4.274 6.957 1.00 0.42 H new ATOM 0 HG SER A 226 -11.724 4.180 8.534 1.00 1.20 H new ATOM 311 N LYS A 227 -14.296 2.242 4.113 1.00 0.34 N ATOM 312 CA LYS A 227 -14.833 2.271 2.759 1.00 0.37 C ATOM 313 C LYS A 227 -15.078 3.691 2.260 1.00 0.42 C ATOM 314 O LYS A 227 -15.732 4.508 2.917 1.00 0.48 O ATOM 315 CB LYS A 227 -16.118 1.428 2.669 1.00 0.44 C ATOM 316 CG LYS A 227 -17.420 2.193 2.869 1.00 0.95 C ATOM 317 CD LYS A 227 -18.626 1.265 2.834 1.00 0.93 C ATOM 318 CE LYS A 227 -18.734 0.508 1.522 1.00 0.96 C ATOM 319 NZ LYS A 227 -19.216 1.373 0.412 1.00 1.54 N ATOM 0 H LYS A 227 -14.743 1.557 4.723 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.079 1.833 2.105 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.147 0.945 1.692 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.065 0.635 3.415 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.391 2.718 3.824 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.521 2.951 2.092 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.558 0.553 3.657 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -19.534 1.847 2.991 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -17.759 0.095 1.262 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.415 -0.334 1.646 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -19.274 0.814 -0.463 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -20.157 1.747 0.647 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -18.554 2.163 0.275 1.00 1.54 H new ATOM 333 N GLY A 228 -14.462 3.996 1.127 1.00 0.46 N ATOM 334 CA GLY A 228 -14.603 5.314 0.526 1.00 0.57 C ATOM 335 C GLY A 228 -13.874 6.412 1.284 1.00 0.57 C ATOM 336 O GLY A 228 -13.673 7.504 0.755 1.00 0.70 O ATOM 0 H GLY A 228 -13.863 3.353 0.608 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.227 5.279 -0.497 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.662 5.566 0.468 1.00 0.57 H new ATOM 340 N HIS A 229 -13.431 6.108 2.497 1.00 0.47 N ATOM 341 CA HIS A 229 -12.683 7.062 3.307 1.00 0.53 C ATOM 342 C HIS A 229 -11.234 7.107 2.858 1.00 0.54 C ATOM 343 O HIS A 229 -10.426 7.847 3.423 1.00 1.02 O ATOM 344 CB HIS A 229 -12.751 6.691 4.792 1.00 0.55 C ATOM 345 CG HIS A 229 -14.083 6.943 5.435 1.00 1.32 C ATOM 346 ND1 HIS A 229 -15.267 6.423 4.958 1.00 1.94 N ATOM 347 CD2 HIS A 229 -14.407 7.641 6.548 1.00 2.31 C ATOM 348 CE1 HIS A 229 -16.256 6.791 5.748 1.00 2.66 C ATOM 349 NE2 HIS A 229 -15.765 7.529 6.723 1.00 2.89 N ATOM 0 H HIS A 229 -13.578 5.203 2.944 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.134 8.045 3.173 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.503 5.635 4.902 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.989 7.255 5.330 1.00 0.55 H new ATOM 0 HD1 HIS A 229 -15.363 5.844 4.124 1.00 1.94 H new ATOM 0 HD2 HIS A 229 -13.724 8.186 7.182 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -17.296 6.531 5.618 1.00 2.66 H new ATOM 358 N LYS A 230 -10.925 6.292 1.845 1.00 0.30 N ATOM 359 CA LYS A 230 -9.582 6.192 1.275 1.00 0.28 C ATOM 360 C LYS A 230 -8.637 5.494 2.242 1.00 0.24 C ATOM 361 O LYS A 230 -8.251 6.071 3.261 1.00 0.28 O ATOM 362 CB LYS A 230 -9.010 7.579 0.950 1.00 0.36 C ATOM 363 CG LYS A 230 -9.877 8.434 0.043 1.00 1.00 C ATOM 364 CD LYS A 230 -9.487 9.902 0.152 1.00 1.23 C ATOM 365 CE LYS A 230 -8.004 10.112 -0.118 1.00 1.65 C ATOM 366 NZ LYS A 230 -7.561 11.485 0.233 1.00 2.24 N ATOM 0 H LYS A 230 -11.606 5.680 1.396 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.667 5.612 0.356 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.847 8.116 1.884 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -8.034 7.452 0.481 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.771 8.100 -0.989 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -10.926 8.310 0.312 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -10.072 10.488 -0.557 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -9.731 10.270 1.148 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -7.426 9.387 0.455 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -7.798 9.923 -1.171 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -6.545 11.584 0.033 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -8.094 12.177 -0.332 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -7.733 11.658 1.244 1.00 2.24 H new ATOM 380 N ILE A 231 -8.252 4.258 1.950 1.00 0.20 N ATOM 381 CA ILE A 231 -7.328 3.575 2.853 1.00 0.17 C ATOM 382 C ILE A 231 -5.875 3.876 2.495 1.00 0.16 C ATOM 383 O ILE A 231 -5.497 3.917 1.327 1.00 0.17 O ATOM 384 CB ILE A 231 -7.528 2.047 2.909 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.572 1.445 3.947 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.286 1.409 1.553 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.646 -0.054 4.076 1.00 0.19 C ATOM 0 H ILE A 231 -8.548 3.725 1.132 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.558 3.971 3.842 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.560 1.845 3.195 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.551 1.724 3.685 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.785 1.891 4.919 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.435 0.332 1.626 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -7.984 1.823 0.826 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.265 1.613 1.232 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.936 -0.390 4.832 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.654 -0.344 4.371 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.401 -0.514 3.119 1.00 0.19 H new ATOM 399 N ARG A 232 -5.078 4.121 3.521 1.00 0.17 N ATOM 400 CA ARG A 232 -3.669 4.432 3.356 1.00 0.17 C ATOM 401 C ARG A 232 -2.817 3.195 3.629 1.00 0.15 C ATOM 402 O ARG A 232 -3.052 2.487 4.613 1.00 0.19 O ATOM 403 CB ARG A 232 -3.274 5.559 4.310 1.00 0.22 C ATOM 404 CG ARG A 232 -3.749 6.943 3.884 1.00 0.34 C ATOM 405 CD ARG A 232 -5.245 7.125 4.094 1.00 0.77 C ATOM 406 NE ARG A 232 -5.627 6.966 5.494 1.00 1.44 N ATOM 407 CZ ARG A 232 -5.362 7.854 6.454 1.00 2.13 C ATOM 408 NH1 ARG A 232 -4.807 9.026 6.159 1.00 2.48 N ATOM 409 NH2 ARG A 232 -5.669 7.569 7.712 1.00 3.14 N ATOM 0 H ARG A 232 -5.390 4.110 4.492 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.497 4.754 2.329 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.677 5.339 5.299 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.188 5.574 4.404 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.209 7.701 4.451 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -3.509 7.100 2.832 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -5.541 8.115 3.748 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -5.787 6.400 3.486 1.00 0.77 H new ATOM 0 HE ARG A 232 -6.131 6.119 5.756 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -4.580 9.253 5.191 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -4.609 9.698 6.901 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -6.105 6.676 7.941 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -5.469 8.243 8.451 1.00 3.14 H new ATOM 423 N LEU A 233 -1.818 2.937 2.782 1.00 0.13 N ATOM 424 CA LEU A 233 -0.953 1.798 2.982 1.00 0.14 C ATOM 425 C LEU A 233 0.325 2.264 3.643 1.00 0.13 C ATOM 426 O LEU A 233 1.220 2.778 2.978 1.00 0.13 O ATOM 427 CB LEU A 233 -0.659 1.098 1.646 1.00 0.15 C ATOM 428 CG LEU A 233 -1.759 0.150 1.135 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.055 0.894 0.851 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.299 -0.584 -0.111 1.00 0.23 C ATOM 0 H LEU A 233 -1.598 3.502 1.962 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.448 1.073 3.628 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.481 1.861 0.888 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.266 0.530 1.750 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.953 -0.576 1.925 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.807 0.191 0.492 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.410 1.369 1.766 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.878 1.655 0.091 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.091 -1.249 -0.455 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.066 0.138 -0.893 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.409 -1.170 0.119 1.00 0.23 H new ATOM 442 N THR A 234 0.340 2.202 4.963 1.00 0.14 N ATOM 443 CA THR A 234 1.452 2.715 5.739 1.00 0.16 C ATOM 444 C THR A 234 2.538 1.662 5.890 1.00 0.16 C ATOM 445 O THR A 234 2.249 0.482 6.085 1.00 0.22 O ATOM 446 CB THR A 234 0.987 3.186 7.131 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.150 4.053 6.998 1.00 0.33 O ATOM 448 CG2 THR A 234 2.106 3.921 7.857 1.00 0.24 C ATOM 0 H THR A 234 -0.412 1.798 5.522 1.00 0.14 H new ATOM 0 HA THR A 234 1.861 3.570 5.200 1.00 0.16 H new ATOM 0 HB THR A 234 0.712 2.308 7.715 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.442 4.348 7.886 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.754 4.244 8.837 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.960 3.254 7.980 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.407 4.792 7.275 1.00 0.24 H new ATOM 456 N VAL A 235 3.778 2.090 5.732 1.00 0.14 N ATOM 457 CA VAL A 235 4.935 1.217 5.826 1.00 0.14 C ATOM 458 C VAL A 235 6.107 2.013 6.359 1.00 0.14 C ATOM 459 O VAL A 235 6.236 3.192 6.063 1.00 0.16 O ATOM 460 CB VAL A 235 5.332 0.632 4.450 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.239 -0.256 3.902 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.612 1.754 3.480 1.00 0.14 C ATOM 0 H VAL A 235 4.012 3.063 5.533 1.00 0.14 H new ATOM 0 HA VAL A 235 4.677 0.392 6.490 1.00 0.14 H new ATOM 0 HB VAL A 235 6.230 0.028 4.581 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.544 -0.654 2.934 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.059 -1.080 4.593 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.324 0.324 3.783 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.891 1.337 2.512 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.719 2.368 3.366 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.429 2.368 3.860 1.00 0.14 H new ATOM 472 N GLU A 236 7.035 1.354 7.000 1.00 0.13 N ATOM 473 CA GLU A 236 8.265 2.008 7.350 1.00 0.13 C ATOM 474 C GLU A 236 9.246 1.726 6.235 1.00 0.13 C ATOM 475 O GLU A 236 9.542 0.573 5.971 1.00 0.17 O ATOM 476 CB GLU A 236 8.790 1.484 8.686 1.00 0.18 C ATOM 477 CG GLU A 236 9.918 2.316 9.268 1.00 0.29 C ATOM 478 CD GLU A 236 10.227 1.943 10.700 1.00 0.54 C ATOM 479 OE1 GLU A 236 10.721 0.822 10.941 1.00 1.18 O ATOM 480 OE2 GLU A 236 9.943 2.764 11.599 1.00 1.05 O ATOM 0 H GLU A 236 6.964 0.378 7.287 1.00 0.13 H new ATOM 0 HA GLU A 236 8.117 3.082 7.467 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.968 1.451 9.401 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.138 0.460 8.553 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.813 2.186 8.660 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.650 3.371 9.220 1.00 0.29 H new ATOM 487 N LEU A 237 9.573 2.734 5.446 1.00 0.13 N ATOM 488 CA LEU A 237 10.399 2.513 4.269 1.00 0.15 C ATOM 489 C LEU A 237 11.840 2.256 4.651 1.00 0.17 C ATOM 490 O LEU A 237 12.346 2.834 5.604 1.00 0.19 O ATOM 491 CB LEU A 237 10.345 3.700 3.308 1.00 0.17 C ATOM 492 CG LEU A 237 9.385 3.554 2.129 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.517 4.738 1.190 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.645 2.264 1.378 1.00 0.55 C ATOM 0 H LEU A 237 9.285 3.701 5.594 1.00 0.13 H new ATOM 0 HA LEU A 237 9.994 1.634 3.768 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.065 4.589 3.873 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.348 3.874 2.917 1.00 0.17 H new ATOM 0 HG LEU A 237 8.369 3.526 2.522 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.826 4.619 0.355 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.282 5.657 1.727 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.538 4.790 0.812 1.00 0.44 H new ATOM 0 HD21 LEU A 237 8.949 2.183 0.543 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.667 2.263 1.000 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.506 1.417 2.050 1.00 0.55 H new ATOM 506 N ALA A 238 12.517 1.470 3.835 1.00 0.19 N ATOM 507 CA ALA A 238 13.950 1.277 3.961 1.00 0.21 C ATOM 508 C ALA A 238 14.657 2.363 3.166 1.00 0.23 C ATOM 509 O ALA A 238 15.652 2.932 3.604 1.00 0.28 O ATOM 510 CB ALA A 238 14.345 -0.100 3.455 1.00 0.25 C ATOM 0 H ALA A 238 12.091 0.949 3.069 1.00 0.19 H new ATOM 0 HA ALA A 238 14.242 1.343 5.009 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.423 -0.229 3.556 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.831 -0.863 4.039 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.065 -0.196 2.406 1.00 0.25 H new ATOM 516 N ASP A 239 14.047 2.713 2.039 1.00 0.22 N ATOM 517 CA ASP A 239 14.530 3.811 1.197 1.00 0.25 C ATOM 518 C ASP A 239 14.267 5.150 1.856 1.00 0.25 C ATOM 519 O ASP A 239 15.049 6.089 1.713 1.00 0.34 O ATOM 520 CB ASP A 239 13.859 3.797 -0.175 1.00 0.31 C ATOM 521 CG ASP A 239 14.570 2.885 -1.157 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.819 2.870 -1.160 1.00 1.28 O ATOM 523 OD2 ASP A 239 13.893 2.226 -1.967 1.00 1.19 O ATOM 0 H ASP A 239 13.211 2.251 1.682 1.00 0.22 H new ATOM 0 HA ASP A 239 15.603 3.668 1.070 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.824 3.473 -0.067 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.836 4.810 -0.576 1.00 0.31 H new ATOM 528 N HIS A 240 13.136 5.224 2.552 1.00 0.27 N ATOM 529 CA HIS A 240 12.695 6.428 3.266 1.00 0.39 C ATOM 530 C HIS A 240 12.075 7.452 2.315 1.00 0.47 C ATOM 531 O HIS A 240 10.903 7.795 2.454 1.00 0.70 O ATOM 532 CB HIS A 240 13.842 7.075 4.062 1.00 0.46 C ATOM 533 CG HIS A 240 14.475 6.170 5.078 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.211 4.885 5.406 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.529 6.555 5.875 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 15.105 4.516 6.383 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.889 5.547 6.645 1.00 0.48 N flip ATOM 0 H HIS A 240 12.488 4.441 2.640 1.00 0.27 H new ATOM 0 HA HIS A 240 11.930 6.106 3.972 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.609 7.411 3.364 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.462 7.962 4.569 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.482 4.297 5.002 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.990 7.532 5.870 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.158 3.547 6.857 1.00 0.57 H new ATOM 546 N ASP A 241 12.824 7.887 1.310 1.00 0.41 N ATOM 547 CA ASP A 241 12.308 8.867 0.361 1.00 0.51 C ATOM 548 C ASP A 241 12.438 8.367 -1.068 1.00 0.44 C ATOM 549 O ASP A 241 13.049 9.003 -1.924 1.00 0.78 O ATOM 550 CB ASP A 241 13.002 10.223 0.520 1.00 0.80 C ATOM 551 CG ASP A 241 12.260 11.336 -0.203 1.00 1.53 C ATOM 552 OD1 ASP A 241 11.166 11.078 -0.748 1.00 2.22 O ATOM 553 OD2 ASP A 241 12.760 12.483 -0.214 1.00 2.08 O ATOM 0 H ASP A 241 13.781 7.581 1.131 1.00 0.41 H new ATOM 0 HA ASP A 241 11.249 9.004 0.582 1.00 0.51 H new ATOM 0 HB2 ASP A 241 13.079 10.468 1.579 1.00 0.80 H new ATOM 0 HB3 ASP A 241 14.019 10.156 0.134 1.00 0.80 H new ATOM 558 N ALA A 242 11.792 7.251 -1.324 1.00 0.33 N ATOM 559 CA ALA A 242 11.727 6.693 -2.660 1.00 0.30 C ATOM 560 C ALA A 242 10.280 6.584 -3.102 1.00 0.24 C ATOM 561 O ALA A 242 9.391 6.385 -2.269 1.00 0.28 O ATOM 562 CB ALA A 242 12.389 5.333 -2.696 1.00 0.38 C ATOM 0 H ALA A 242 11.299 6.706 -0.617 1.00 0.33 H new ATOM 0 HA ALA A 242 12.259 7.354 -3.344 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.332 4.927 -3.706 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.434 5.429 -2.402 1.00 0.38 H new ATOM 0 HB3 ALA A 242 11.878 4.661 -2.006 1.00 0.38 H new ATOM 568 N GLU A 243 10.044 6.685 -4.402 1.00 0.26 N ATOM 569 CA GLU A 243 8.696 6.544 -4.926 1.00 0.30 C ATOM 570 C GLU A 243 8.259 5.099 -4.774 1.00 0.25 C ATOM 571 O GLU A 243 8.901 4.189 -5.304 1.00 0.25 O ATOM 572 CB GLU A 243 8.636 6.938 -6.403 1.00 0.39 C ATOM 573 CG GLU A 243 9.316 8.261 -6.709 1.00 0.67 C ATOM 574 CD GLU A 243 9.375 8.554 -8.192 1.00 1.10 C ATOM 575 OE1 GLU A 243 9.967 7.747 -8.938 1.00 1.64 O ATOM 576 OE2 GLU A 243 8.837 9.594 -8.622 1.00 1.56 O ATOM 0 H GLU A 243 10.761 6.862 -5.106 1.00 0.26 H new ATOM 0 HA GLU A 243 8.032 7.205 -4.368 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.102 6.153 -6.999 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.592 6.996 -6.713 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.781 9.066 -6.204 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.328 8.248 -6.304 1.00 0.67 H new ATOM 583 N VAL A 244 7.204 4.887 -4.014 1.00 0.24 N ATOM 584 CA VAL A 244 6.726 3.544 -3.766 1.00 0.21 C ATOM 585 C VAL A 244 5.620 3.171 -4.734 1.00 0.20 C ATOM 586 O VAL A 244 4.597 3.849 -4.823 1.00 0.23 O ATOM 587 CB VAL A 244 6.235 3.358 -2.312 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.419 3.382 -1.357 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.199 4.422 -1.934 1.00 0.27 C ATOM 0 H VAL A 244 6.664 5.624 -3.560 1.00 0.24 H new ATOM 0 HA VAL A 244 7.575 2.878 -3.921 1.00 0.21 H new ATOM 0 HB VAL A 244 5.744 2.388 -2.235 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.065 3.250 -0.335 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.107 2.575 -1.609 1.00 0.24 H new ATOM 0 HG13 VAL A 244 7.935 4.338 -1.442 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.874 4.264 -0.906 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.645 5.412 -2.025 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.341 4.348 -2.602 1.00 0.27 H new ATOM 599 N LYS A 245 5.788 2.031 -5.362 1.00 0.18 N ATOM 600 CA LYS A 245 4.744 1.462 -6.180 1.00 0.19 C ATOM 601 C LYS A 245 4.105 0.335 -5.397 1.00 0.15 C ATOM 602 O LYS A 245 4.679 -0.159 -4.432 1.00 0.16 O ATOM 603 CB LYS A 245 5.311 0.970 -7.511 1.00 0.30 C ATOM 604 CG LYS A 245 5.605 2.086 -8.501 1.00 0.89 C ATOM 605 CD LYS A 245 6.221 1.546 -9.784 1.00 1.51 C ATOM 606 CE LYS A 245 5.283 0.584 -10.501 1.00 2.00 C ATOM 607 NZ LYS A 245 5.887 0.065 -11.757 1.00 2.79 N ATOM 0 H LYS A 245 6.643 1.477 -5.321 1.00 0.18 H new ATOM 0 HA LYS A 245 3.992 2.214 -6.418 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.229 0.414 -7.321 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.604 0.274 -7.962 1.00 0.30 H new ATOM 0 HG2 LYS A 245 4.683 2.618 -8.735 1.00 0.89 H new ATOM 0 HG3 LYS A 245 6.283 2.808 -8.046 1.00 0.89 H new ATOM 0 HD2 LYS A 245 6.466 2.376 -10.447 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.156 1.036 -9.552 1.00 1.51 H new ATOM 0 HE2 LYS A 245 5.042 -0.249 -9.841 1.00 2.00 H new ATOM 0 HE3 LYS A 245 4.346 1.091 -10.730 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 5.221 -0.587 -12.219 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 6.094 0.859 -12.396 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 6.768 -0.440 -11.535 1.00 2.79 H new ATOM 621 N TRP A 246 2.861 0.060 -5.643 1.00 0.14 N ATOM 622 CA TRP A 246 2.185 -0.920 -4.826 1.00 0.13 C ATOM 623 C TRP A 246 1.509 -1.928 -5.720 1.00 0.14 C ATOM 624 O TRP A 246 1.653 -1.869 -6.932 1.00 0.14 O ATOM 625 CB TRP A 246 1.231 -0.264 -3.811 1.00 0.14 C ATOM 626 CG TRP A 246 1.940 0.700 -2.881 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.492 1.899 -3.231 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.202 0.553 -1.467 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.065 2.496 -2.141 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.906 1.704 -1.057 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.917 -0.417 -0.503 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.322 1.909 0.249 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.341 -0.201 0.802 1.00 0.15 C ATOM 634 CH2 TRP A 246 3.034 0.956 1.158 1.00 0.15 C ATOM 0 H TRP A 246 2.299 0.483 -6.381 1.00 0.14 H new ATOM 0 HA TRP A 246 2.916 -1.452 -4.217 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.445 0.267 -4.348 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.745 -1.041 -3.221 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.478 2.317 -4.227 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.539 3.399 -2.146 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.379 -1.315 -0.767 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.859 2.803 0.529 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.130 -0.944 1.557 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.346 1.091 2.183 1.00 0.15 H new ATOM 645 N LEU A 247 1.067 -3.005 -5.156 1.00 0.15 N ATOM 646 CA LEU A 247 0.579 -4.102 -5.955 1.00 0.14 C ATOM 647 C LEU A 247 -0.821 -4.473 -5.488 1.00 0.15 C ATOM 648 O LEU A 247 -1.022 -4.736 -4.329 1.00 0.16 O ATOM 649 CB LEU A 247 1.538 -5.291 -5.797 1.00 0.15 C ATOM 650 CG LEU A 247 2.376 -5.718 -7.009 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.687 -6.839 -7.768 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.663 -4.548 -7.929 1.00 0.17 C ATOM 0 H LEU A 247 1.030 -3.157 -4.148 1.00 0.15 H new ATOM 0 HA LEU A 247 0.532 -3.821 -7.007 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.225 -5.058 -4.984 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.950 -6.152 -5.480 1.00 0.15 H new ATOM 0 HG LEU A 247 3.332 -6.086 -6.636 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.297 -7.128 -8.624 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.556 -7.698 -7.109 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.712 -6.497 -8.116 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.259 -4.889 -8.776 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.723 -4.130 -8.291 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.214 -3.782 -7.383 1.00 0.17 H new ATOM 664 N LYS A 248 -1.741 -4.671 -6.393 1.00 0.19 N ATOM 665 CA LYS A 248 -2.989 -5.306 -6.018 1.00 0.25 C ATOM 666 C LYS A 248 -2.784 -6.789 -6.244 1.00 0.25 C ATOM 667 O LYS A 248 -1.897 -7.142 -7.009 1.00 0.21 O ATOM 668 CB LYS A 248 -4.166 -4.796 -6.860 1.00 0.34 C ATOM 669 CG LYS A 248 -5.479 -5.512 -6.564 1.00 0.77 C ATOM 670 CD LYS A 248 -6.614 -5.026 -7.453 1.00 0.95 C ATOM 671 CE LYS A 248 -6.952 -3.570 -7.188 1.00 1.57 C ATOM 672 NZ LYS A 248 -8.199 -3.153 -7.876 1.00 2.06 N ATOM 0 H LYS A 248 -1.661 -4.411 -7.376 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.237 -5.079 -4.981 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.295 -3.728 -6.681 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.926 -4.916 -7.916 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.345 -6.585 -6.703 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.747 -5.357 -5.519 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.335 -5.150 -8.499 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -7.498 -5.641 -7.284 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -7.060 -3.413 -6.115 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -6.127 -2.940 -7.521 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -7.999 -2.342 -8.496 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.562 -3.943 -8.446 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -8.911 -2.881 -7.169 1.00 2.06 H new ATOM 686 N ASN A 249 -3.412 -7.646 -5.454 1.00 0.34 N ATOM 687 CA ASN A 249 -3.125 -9.076 -5.541 1.00 0.40 C ATOM 688 C ASN A 249 -3.137 -9.525 -7.010 1.00 0.35 C ATOM 689 O ASN A 249 -4.148 -9.393 -7.707 1.00 0.35 O ATOM 690 CB ASN A 249 -4.108 -9.888 -4.667 1.00 0.61 C ATOM 691 CG ASN A 249 -5.292 -10.484 -5.417 1.00 0.75 C ATOM 692 OD1 ASN A 249 -5.173 -11.511 -6.084 1.00 1.38 O ATOM 693 ND2 ASN A 249 -6.443 -9.841 -5.309 1.00 1.19 N ATOM 0 H ASN A 249 -4.111 -7.387 -4.757 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.127 -9.267 -5.147 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.559 -10.696 -4.184 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.486 -9.241 -3.875 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -7.271 -10.194 -5.788 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.502 -8.992 -4.746 1.00 1.19 H new ATOM 700 N GLY A 250 -1.936 -9.779 -7.526 1.00 0.35 N ATOM 701 CA GLY A 250 -1.754 -10.027 -8.945 1.00 0.35 C ATOM 702 C GLY A 250 -1.574 -8.759 -9.780 1.00 0.33 C ATOM 703 O GLY A 250 -0.692 -8.706 -10.641 1.00 0.39 O ATOM 0 H GLY A 250 -1.077 -9.817 -6.978 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.882 -10.667 -9.083 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.616 -10.578 -9.321 1.00 0.35 H new ATOM 707 N GLN A 251 -2.422 -7.756 -9.569 1.00 0.30 N ATOM 708 CA GLN A 251 -2.358 -6.520 -10.358 1.00 0.36 C ATOM 709 C GLN A 251 -1.202 -5.640 -9.900 1.00 0.25 C ATOM 710 O GLN A 251 -1.021 -5.410 -8.717 1.00 0.28 O ATOM 711 CB GLN A 251 -3.657 -5.723 -10.240 1.00 0.52 C ATOM 712 CG GLN A 251 -3.710 -4.521 -11.173 1.00 1.28 C ATOM 713 CD GLN A 251 -4.426 -3.331 -10.564 1.00 2.00 C ATOM 714 OE1 GLN A 251 -5.573 -3.432 -10.135 1.00 2.77 O ATOM 715 NE2 GLN A 251 -3.755 -2.190 -10.529 1.00 2.59 N ATOM 0 H GLN A 251 -3.159 -7.770 -8.864 1.00 0.30 H new ATOM 0 HA GLN A 251 -2.205 -6.812 -11.397 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.500 -6.380 -10.456 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.774 -5.382 -9.211 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -2.694 -4.230 -11.440 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -4.213 -4.807 -12.097 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -2.804 -2.146 -10.895 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -4.189 -1.355 -10.136 1.00 2.59 H new ATOM 724 N GLU A 252 -0.492 -5.045 -10.827 1.00 0.26 N ATOM 725 CA GLU A 252 0.562 -4.122 -10.455 1.00 0.25 C ATOM 726 C GLU A 252 0.025 -2.697 -10.359 1.00 0.27 C ATOM 727 O GLU A 252 -0.822 -2.286 -11.156 1.00 0.32 O ATOM 728 CB GLU A 252 1.735 -4.248 -11.415 1.00 0.32 C ATOM 729 CG GLU A 252 2.356 -5.633 -11.356 1.00 0.60 C ATOM 730 CD GLU A 252 3.597 -5.756 -12.208 1.00 1.05 C ATOM 731 OE1 GLU A 252 3.506 -5.520 -13.431 1.00 1.49 O ATOM 732 OE2 GLU A 252 4.667 -6.106 -11.664 1.00 1.60 O ATOM 0 H GLU A 252 -0.618 -5.177 -11.830 1.00 0.26 H new ATOM 0 HA GLU A 252 0.932 -4.380 -9.463 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.399 -4.042 -12.431 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.489 -3.499 -11.171 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.606 -5.870 -10.322 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.622 -6.369 -11.683 1.00 0.60 H new ATOM 739 N ILE A 253 0.347 -2.050 -9.249 1.00 0.23 N ATOM 740 CA ILE A 253 -0.241 -0.771 -8.887 1.00 0.27 C ATOM 741 C ILE A 253 0.807 0.356 -8.914 1.00 0.28 C ATOM 742 O ILE A 253 1.807 0.332 -8.183 1.00 0.28 O ATOM 743 CB ILE A 253 -0.899 -0.917 -7.490 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.342 -1.394 -7.615 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.814 0.342 -6.655 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.979 -1.705 -6.280 1.00 0.33 C ATOM 0 H ILE A 253 1.026 -2.399 -8.572 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.002 -0.493 -9.616 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.324 -1.675 -6.958 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.929 -0.628 -8.122 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.371 -2.285 -8.242 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.293 0.172 -5.691 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.232 0.605 -6.499 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.320 1.157 -7.173 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -4.005 -2.039 -6.435 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.413 -2.491 -5.781 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.979 -0.809 -5.660 1.00 0.33 H new ATOM 758 N GLN A 254 0.603 1.316 -9.805 1.00 0.36 N ATOM 759 CA GLN A 254 1.538 2.423 -9.959 1.00 0.43 C ATOM 760 C GLN A 254 1.259 3.514 -8.920 1.00 0.61 C ATOM 761 O GLN A 254 1.295 3.259 -7.717 1.00 1.42 O ATOM 762 CB GLN A 254 1.486 3.007 -11.381 1.00 0.70 C ATOM 763 CG GLN A 254 2.084 2.113 -12.465 1.00 1.00 C ATOM 764 CD GLN A 254 1.211 0.927 -12.825 1.00 1.75 C ATOM 765 OE1 GLN A 254 1.268 -0.125 -12.186 1.00 2.63 O ATOM 766 NE2 GLN A 254 0.384 1.095 -13.843 1.00 2.21 N ATOM 0 H GLN A 254 -0.201 1.351 -10.432 1.00 0.36 H new ATOM 0 HA GLN A 254 2.543 2.034 -9.794 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.447 3.215 -11.635 1.00 0.70 H new ATOM 0 HB3 GLN A 254 2.013 3.961 -11.386 1.00 0.70 H new ATOM 0 HG2 GLN A 254 2.259 2.710 -13.360 1.00 1.00 H new ATOM 0 HG3 GLN A 254 3.055 1.750 -12.129 1.00 1.00 H new ATOM 0 HE21 GLN A 254 0.368 1.982 -14.346 1.00 2.21 H new ATOM 0 HE22 GLN A 254 -0.238 0.337 -14.125 1.00 2.21 H new ATOM 775 N MET A 255 0.983 4.727 -9.388 1.00 0.59 N ATOM 776 CA MET A 255 0.719 5.853 -8.504 1.00 0.61 C ATOM 777 C MET A 255 -0.079 6.923 -9.243 1.00 0.65 C ATOM 778 O MET A 255 0.107 7.131 -10.444 1.00 0.95 O ATOM 779 CB MET A 255 2.031 6.435 -7.964 1.00 0.95 C ATOM 780 CG MET A 255 2.993 6.901 -9.047 1.00 1.58 C ATOM 781 SD MET A 255 4.603 7.386 -8.390 1.00 2.30 S ATOM 782 CE MET A 255 5.442 7.898 -9.888 1.00 2.61 C ATOM 0 H MET A 255 0.937 4.954 -10.381 1.00 0.59 H new ATOM 0 HA MET A 255 0.130 5.501 -7.657 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.801 7.276 -7.310 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.526 5.681 -7.352 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.129 6.101 -9.775 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.553 7.745 -9.579 1.00 1.58 H new ATOM 0 HE1 MET A 255 6.453 8.226 -9.645 1.00 2.61 H new ATOM 0 HE2 MET A 255 5.490 7.060 -10.583 1.00 2.61 H new ATOM 0 HE3 MET A 255 4.894 8.720 -10.349 1.00 2.61 H new ATOM 792 N SER A 256 -1.045 7.505 -8.554 1.00 0.57 N ATOM 793 CA SER A 256 -1.967 8.453 -9.164 1.00 0.69 C ATOM 794 C SER A 256 -2.541 9.384 -8.100 1.00 1.00 C ATOM 795 O SER A 256 -2.684 8.994 -6.946 1.00 1.47 O ATOM 796 CB SER A 256 -3.104 7.696 -9.872 1.00 0.76 C ATOM 797 OG SER A 256 -4.082 8.583 -10.385 1.00 1.64 O ATOM 0 H SER A 256 -1.214 7.337 -7.562 1.00 0.57 H new ATOM 0 HA SER A 256 -1.427 9.050 -9.899 1.00 0.69 H new ATOM 0 HB2 SER A 256 -2.692 7.098 -10.685 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.572 7.004 -9.172 1.00 0.76 H new ATOM 0 HG SER A 256 -4.788 8.069 -10.830 1.00 1.64 H new ATOM 803 N GLY A 257 -2.896 10.604 -8.492 1.00 1.01 N ATOM 804 CA GLY A 257 -3.506 11.538 -7.560 1.00 1.41 C ATOM 805 C GLY A 257 -5.007 11.339 -7.461 1.00 1.28 C ATOM 806 O GLY A 257 -5.775 12.301 -7.421 1.00 1.69 O ATOM 0 H GLY A 257 -2.772 10.963 -9.439 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.057 11.413 -6.575 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -3.295 12.559 -7.879 1.00 1.41 H new ATOM 810 N SER A 258 -5.419 10.083 -7.470 1.00 1.07 N ATOM 811 CA SER A 258 -6.831 9.716 -7.437 1.00 0.96 C ATOM 812 C SER A 258 -6.985 8.306 -6.874 1.00 0.74 C ATOM 813 O SER A 258 -7.995 7.970 -6.262 1.00 1.14 O ATOM 814 CB SER A 258 -7.427 9.789 -8.845 1.00 1.08 C ATOM 815 OG SER A 258 -7.252 11.080 -9.409 1.00 1.77 O ATOM 0 H SER A 258 -4.785 9.284 -7.500 1.00 1.07 H new ATOM 0 HA SER A 258 -7.366 10.416 -6.795 1.00 0.96 H new ATOM 0 HB2 SER A 258 -6.953 9.043 -9.483 1.00 1.08 H new ATOM 0 HB3 SER A 258 -8.489 9.547 -8.806 1.00 1.08 H new ATOM 0 HG SER A 258 -7.640 11.099 -10.309 1.00 1.77 H new ATOM 821 N LYS A 259 -5.940 7.513 -7.054 1.00 0.51 N ATOM 822 CA LYS A 259 -5.859 6.160 -6.528 1.00 0.37 C ATOM 823 C LYS A 259 -4.391 5.781 -6.516 1.00 0.33 C ATOM 824 O LYS A 259 -3.640 6.305 -7.331 1.00 0.45 O ATOM 825 CB LYS A 259 -6.669 5.164 -7.379 1.00 0.48 C ATOM 826 CG LYS A 259 -6.170 4.994 -8.809 1.00 1.11 C ATOM 827 CD LYS A 259 -6.830 5.980 -9.765 1.00 1.59 C ATOM 828 CE LYS A 259 -8.316 5.695 -9.934 1.00 2.02 C ATOM 829 NZ LYS A 259 -8.569 4.353 -10.522 1.00 2.41 N ATOM 0 H LYS A 259 -5.112 7.796 -7.578 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.286 6.122 -5.526 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.656 4.192 -6.886 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -7.708 5.493 -7.408 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -5.089 5.132 -8.835 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -6.369 3.976 -9.144 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -6.695 6.995 -9.391 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -6.338 5.930 -10.736 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -8.810 5.764 -8.965 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -8.760 6.459 -10.572 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -9.554 4.299 -10.852 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -7.926 4.199 -11.324 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -8.405 3.622 -9.801 1.00 2.41 H new ATOM 843 N TYR A 260 -3.954 4.973 -5.549 1.00 0.24 N ATOM 844 CA TYR A 260 -2.532 4.663 -5.418 1.00 0.27 C ATOM 845 C TYR A 260 -1.744 5.961 -5.193 1.00 0.27 C ATOM 846 O TYR A 260 -0.808 6.277 -5.924 1.00 0.29 O ATOM 847 CB TYR A 260 -2.005 3.940 -6.669 1.00 0.33 C ATOM 848 CG TYR A 260 -2.977 2.944 -7.272 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.738 2.103 -6.470 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.135 2.854 -8.648 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.627 1.201 -7.023 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.021 1.955 -9.209 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.764 1.131 -8.391 1.00 0.95 C ATOM 854 OH TYR A 260 -5.646 0.225 -8.941 1.00 1.24 O ATOM 0 H TYR A 260 -4.555 4.528 -4.855 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.400 3.999 -4.564 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.751 4.684 -7.424 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.083 3.419 -6.412 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.633 2.155 -5.396 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.555 3.499 -9.292 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.211 0.554 -6.385 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.131 1.898 -10.282 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.626 0.301 -9.918 1.00 1.24 H new ATOM 864 N ILE A 261 -2.196 6.747 -4.231 1.00 0.26 N ATOM 865 CA ILE A 261 -1.591 8.038 -3.936 1.00 0.27 C ATOM 866 C ILE A 261 -0.391 7.862 -3.013 1.00 0.28 C ATOM 867 O ILE A 261 -0.524 7.337 -1.916 1.00 0.35 O ATOM 868 CB ILE A 261 -2.614 8.970 -3.249 1.00 0.29 C ATOM 869 CG1 ILE A 261 -3.863 9.151 -4.119 1.00 0.32 C ATOM 870 CG2 ILE A 261 -1.987 10.312 -2.920 1.00 0.33 C ATOM 871 CD1 ILE A 261 -4.937 10.001 -3.471 1.00 0.39 C ATOM 0 H ILE A 261 -2.989 6.511 -3.634 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.268 8.481 -4.878 1.00 0.27 H new ATOM 0 HB ILE A 261 -2.920 8.501 -2.314 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.573 9.607 -5.066 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.279 8.171 -4.351 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.727 10.951 -2.437 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.142 10.164 -2.248 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.642 10.787 -3.838 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -5.790 10.085 -4.144 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.256 9.536 -2.538 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.539 10.994 -3.264 1.00 0.39 H new ATOM 883 N PHE A 262 0.779 8.293 -3.442 1.00 0.30 N ATOM 884 CA PHE A 262 1.964 8.153 -2.609 1.00 0.32 C ATOM 885 C PHE A 262 2.056 9.290 -1.592 1.00 0.30 C ATOM 886 O PHE A 262 1.842 10.457 -1.923 1.00 0.37 O ATOM 887 CB PHE A 262 3.239 8.062 -3.466 1.00 0.46 C ATOM 888 CG PHE A 262 3.469 9.224 -4.396 1.00 0.63 C ATOM 889 CD1 PHE A 262 4.100 10.377 -3.951 1.00 0.87 C ATOM 890 CD2 PHE A 262 3.057 9.160 -5.717 1.00 0.84 C ATOM 891 CE1 PHE A 262 4.313 11.441 -4.805 1.00 1.13 C ATOM 892 CE2 PHE A 262 3.270 10.222 -6.575 1.00 1.09 C ATOM 893 CZ PHE A 262 3.898 11.363 -6.119 1.00 1.18 C ATOM 0 H PHE A 262 0.937 8.736 -4.347 1.00 0.30 H new ATOM 0 HA PHE A 262 1.875 7.219 -2.054 1.00 0.32 H new ATOM 0 HB2 PHE A 262 4.099 7.973 -2.802 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.196 7.147 -4.057 1.00 0.46 H new ATOM 0 HD1 PHE A 262 4.428 10.443 -2.924 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.564 8.270 -6.080 1.00 0.84 H new ATOM 0 HE1 PHE A 262 4.804 12.333 -4.445 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.945 10.159 -7.603 1.00 1.09 H new ATOM 0 HZ PHE A 262 4.064 12.193 -6.789 1.00 1.18 H new ATOM 903 N GLU A 263 2.324 8.927 -0.344 1.00 0.26 N ATOM 904 CA GLU A 263 2.439 9.891 0.743 1.00 0.30 C ATOM 905 C GLU A 263 3.525 9.414 1.701 1.00 0.28 C ATOM 906 O GLU A 263 3.695 8.214 1.877 1.00 0.33 O ATOM 907 CB GLU A 263 1.102 10.025 1.480 1.00 0.37 C ATOM 908 CG GLU A 263 1.071 11.159 2.493 1.00 0.56 C ATOM 909 CD GLU A 263 -0.244 11.249 3.247 1.00 1.07 C ATOM 910 OE1 GLU A 263 -1.059 10.305 3.169 1.00 1.79 O ATOM 911 OE2 GLU A 263 -0.467 12.268 3.931 1.00 1.73 O ATOM 0 H GLU A 263 2.467 7.959 -0.057 1.00 0.26 H new ATOM 0 HA GLU A 263 2.703 10.870 0.342 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.309 10.181 0.749 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.884 9.087 1.991 1.00 0.37 H new ATOM 0 HG2 GLU A 263 1.883 11.023 3.207 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.253 12.103 1.979 1.00 0.56 H new ATOM 918 N SER A 264 4.345 10.319 2.204 1.00 0.34 N ATOM 919 CA SER A 264 5.474 9.915 3.024 1.00 0.36 C ATOM 920 C SER A 264 5.515 10.684 4.332 1.00 0.34 C ATOM 921 O SER A 264 5.425 11.914 4.347 1.00 0.39 O ATOM 922 CB SER A 264 6.781 10.129 2.269 1.00 0.46 C ATOM 923 OG SER A 264 7.864 9.504 2.938 1.00 1.41 O ATOM 0 H SER A 264 4.254 11.325 2.062 1.00 0.34 H new ATOM 0 HA SER A 264 5.351 8.856 3.251 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.692 9.727 1.260 1.00 0.46 H new ATOM 0 HB3 SER A 264 6.977 11.197 2.171 1.00 0.46 H new ATOM 0 HG SER A 264 8.708 9.784 2.527 1.00 1.41 H new ATOM 929 N ILE A 265 5.718 9.958 5.422 1.00 0.31 N ATOM 930 CA ILE A 265 5.854 10.576 6.731 1.00 0.34 C ATOM 931 C ILE A 265 7.066 10.006 7.467 1.00 0.38 C ATOM 932 O ILE A 265 7.039 8.857 7.918 1.00 0.42 O ATOM 933 CB ILE A 265 4.594 10.360 7.601 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.329 10.764 6.831 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.706 11.159 8.893 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.045 10.460 7.573 1.00 1.31 C ATOM 0 H ILE A 265 5.792 8.941 5.425 1.00 0.31 H new ATOM 0 HA ILE A 265 5.986 11.646 6.567 1.00 0.34 H new ATOM 0 HB ILE A 265 4.521 9.301 7.848 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.370 11.832 6.616 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.316 10.246 5.872 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.813 11.000 9.498 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.584 10.831 9.449 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.800 12.219 8.658 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.193 10.772 6.969 1.00 1.31 H new ATOM 0 HD12 ILE A 265 1.981 9.389 7.765 1.00 1.31 H new ATOM 0 HD13 ILE A 265 2.036 11.000 8.520 1.00 1.31 H new ATOM 948 N GLY A 266 8.108 10.826 7.608 1.00 0.48 N ATOM 949 CA GLY A 266 9.302 10.429 8.347 1.00 0.65 C ATOM 950 C GLY A 266 9.809 9.051 7.964 1.00 0.86 C ATOM 951 O GLY A 266 9.809 8.142 8.798 1.00 1.93 O ATOM 0 H GLY A 266 8.147 11.768 7.220 1.00 0.48 H new ATOM 0 HA2 GLY A 266 10.090 11.161 8.172 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.083 10.445 9.415 1.00 0.65 H new ATOM 955 N ALA A 267 10.099 8.873 6.672 1.00 0.48 N ATOM 956 CA ALA A 267 10.479 7.576 6.095 1.00 0.39 C ATOM 957 C ALA A 267 9.278 6.666 5.925 1.00 0.30 C ATOM 958 O ALA A 267 9.212 5.901 4.963 1.00 0.32 O ATOM 959 CB ALA A 267 11.532 6.850 6.911 1.00 0.44 C ATOM 0 H ALA A 267 10.077 9.631 5.989 1.00 0.48 H new ATOM 0 HA ALA A 267 10.904 7.810 5.119 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.771 5.899 6.434 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.432 7.462 6.971 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.151 6.666 7.916 1.00 0.44 H new ATOM 965 N LYS A 268 8.370 6.682 6.893 1.00 0.26 N ATOM 966 CA LYS A 268 7.215 5.815 6.827 1.00 0.25 C ATOM 967 C LYS A 268 6.353 6.214 5.646 1.00 0.29 C ATOM 968 O LYS A 268 5.803 7.317 5.588 1.00 0.47 O ATOM 969 CB LYS A 268 6.425 5.836 8.134 1.00 0.28 C ATOM 970 CG LYS A 268 7.168 5.190 9.295 1.00 0.30 C ATOM 971 CD LYS A 268 6.363 5.287 10.583 1.00 0.41 C ATOM 972 CE LYS A 268 7.139 4.756 11.778 1.00 1.20 C ATOM 973 NZ LYS A 268 7.295 3.278 11.738 1.00 2.00 N ATOM 0 H LYS A 268 8.415 7.279 7.719 1.00 0.26 H new ATOM 0 HA LYS A 268 7.551 4.788 6.684 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.189 6.868 8.392 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.477 5.320 7.986 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.368 4.143 9.065 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.134 5.677 9.429 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.088 6.326 10.762 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.435 4.726 10.474 1.00 0.41 H new ATOM 0 HE2 LYS A 268 8.124 5.222 11.805 1.00 1.20 H new ATOM 0 HE3 LYS A 268 6.626 5.040 12.697 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 6.797 2.854 12.547 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 6.893 2.910 10.852 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 8.305 3.034 11.787 1.00 2.00 H new ATOM 987 N ARG A 269 6.365 5.354 4.651 1.00 0.16 N ATOM 988 CA ARG A 269 5.695 5.618 3.409 1.00 0.16 C ATOM 989 C ARG A 269 4.267 5.127 3.458 1.00 0.18 C ATOM 990 O ARG A 269 3.937 4.216 4.210 1.00 0.17 O ATOM 991 CB ARG A 269 6.436 4.965 2.248 1.00 0.20 C ATOM 992 CG ARG A 269 5.866 5.336 0.908 1.00 0.53 C ATOM 993 CD ARG A 269 6.045 6.819 0.613 1.00 0.79 C ATOM 994 NE ARG A 269 7.433 7.258 0.750 1.00 0.69 N ATOM 995 CZ ARG A 269 7.992 8.205 -0.009 1.00 0.97 C ATOM 996 NH1 ARG A 269 7.334 8.707 -1.046 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.203 8.662 0.285 1.00 1.17 N ATOM 0 H ARG A 269 6.842 4.453 4.686 1.00 0.16 H new ATOM 0 HA ARG A 269 5.686 6.697 3.253 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.486 5.256 2.284 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.401 3.882 2.365 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.353 4.748 0.130 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.806 5.085 0.881 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.700 7.028 -0.400 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.417 7.398 1.289 1.00 0.79 H new ATOM 0 HE ARG A 269 8.008 6.815 1.467 1.00 0.69 H new ATOM 0 HH11 ARG A 269 6.397 8.370 -1.267 1.00 1.85 H new ATOM 0 HH12 ARG A 269 7.765 9.430 -1.622 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.707 8.290 1.090 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.630 9.385 -0.294 1.00 1.17 H new ATOM 1011 N THR A 270 3.401 5.831 2.773 1.00 0.18 N ATOM 1012 CA THR A 270 2.000 5.524 2.794 1.00 0.18 C ATOM 1013 C THR A 270 1.393 5.574 1.396 1.00 0.19 C ATOM 1014 O THR A 270 1.548 6.564 0.672 1.00 0.22 O ATOM 1015 CB THR A 270 1.264 6.504 3.712 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.858 6.477 5.015 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.203 6.155 3.805 1.00 0.24 C ATOM 0 H THR A 270 3.650 6.629 2.189 1.00 0.18 H new ATOM 0 HA THR A 270 1.888 4.509 3.174 1.00 0.18 H new ATOM 0 HB THR A 270 1.349 7.507 3.293 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.388 7.105 5.602 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.705 6.865 4.462 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.651 6.200 2.812 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.313 5.148 4.207 1.00 0.24 H new ATOM 1025 N LEU A 271 0.642 4.539 1.058 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.096 4.514 -0.191 1.00 0.17 C ATOM 1027 C LEU A 271 -1.555 4.868 0.074 1.00 0.16 C ATOM 1028 O LEU A 271 -2.325 4.032 0.524 1.00 0.17 O ATOM 1029 CB LEU A 271 0.006 3.128 -0.839 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.452 3.016 -2.300 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.962 2.872 -2.402 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.034 4.214 -3.097 1.00 0.49 C ATOM 0 H LEU A 271 0.528 3.704 1.633 1.00 0.17 H new ATOM 0 HA LEU A 271 0.331 5.246 -0.876 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.044 2.801 -0.782 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.582 2.430 -0.243 1.00 0.20 H new ATOM 0 HG LEU A 271 -0.011 2.114 -2.723 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.250 2.795 -3.450 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.278 1.974 -1.872 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.442 3.744 -1.957 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.298 4.122 -4.131 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.374 5.128 -2.665 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.123 4.253 -3.067 1.00 0.49 H new ATOM 1044 N THR A 272 -1.938 6.086 -0.226 1.00 0.18 N ATOM 1045 CA THR A 272 -3.312 6.501 -0.053 1.00 0.21 C ATOM 1046 C THR A 272 -4.158 6.006 -1.219 1.00 0.22 C ATOM 1047 O THR A 272 -3.973 6.423 -2.359 1.00 0.29 O ATOM 1048 CB THR A 272 -3.413 8.028 0.045 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.312 8.536 0.807 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.718 8.437 0.704 1.00 0.30 C ATOM 0 H THR A 272 -1.318 6.809 -0.592 1.00 0.18 H new ATOM 0 HA THR A 272 -3.684 6.067 0.875 1.00 0.21 H new ATOM 0 HB THR A 272 -3.385 8.443 -0.963 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.378 9.512 0.867 1.00 0.33 H new ATOM 0 HG21 THR A 272 -4.770 9.524 0.764 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.556 8.066 0.114 1.00 0.30 H new ATOM 0 HG23 THR A 272 -4.766 8.015 1.708 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.057 5.089 -0.943 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.908 4.554 -1.978 1.00 0.26 C ATOM 1060 C ILE A 273 -7.323 5.105 -1.821 1.00 0.28 C ATOM 1061 O ILE A 273 -7.941 5.015 -0.748 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.879 2.995 -1.997 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.644 2.482 -3.422 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.151 2.383 -1.428 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.752 2.825 -4.395 1.00 0.86 C ATOM 0 H ILE A 273 -5.217 4.700 -0.014 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.526 4.875 -2.947 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.053 2.685 -1.357 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.707 2.895 -3.795 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.525 1.399 -3.391 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.080 1.296 -1.464 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.278 2.704 -0.394 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.007 2.710 -2.018 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -6.508 2.426 -5.380 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.689 2.388 -4.048 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.858 3.908 -4.459 1.00 0.86 H new ATOM 1077 N SER A 274 -7.772 5.776 -2.869 1.00 0.33 N ATOM 1078 CA SER A 274 -9.079 6.397 -2.900 1.00 0.39 C ATOM 1079 C SER A 274 -9.980 5.601 -3.827 1.00 0.45 C ATOM 1080 O SER A 274 -9.479 4.905 -4.713 1.00 0.50 O ATOM 1081 CB SER A 274 -8.968 7.839 -3.390 1.00 0.52 C ATOM 1082 OG SER A 274 -7.920 8.527 -2.728 1.00 1.13 O ATOM 0 H SER A 274 -7.234 5.904 -3.726 1.00 0.33 H new ATOM 0 HA SER A 274 -9.501 6.407 -1.895 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.790 7.848 -4.465 1.00 0.52 H new ATOM 0 HB3 SER A 274 -9.912 8.357 -3.219 1.00 0.52 H new ATOM 0 HG SER A 274 -7.656 9.309 -3.257 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.292 5.664 -3.597 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.249 4.897 -4.389 1.00 0.62 C ATOM 1090 C GLN A 275 -11.928 3.415 -4.266 1.00 0.62 C ATOM 1091 O GLN A 275 -11.493 2.767 -5.216 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.237 5.348 -5.850 1.00 0.75 C ATOM 1093 CG GLN A 275 -12.479 6.839 -6.010 1.00 0.90 C ATOM 1094 CD GLN A 275 -12.500 7.281 -7.457 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -11.570 7.009 -8.217 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -13.554 7.985 -7.846 1.00 2.27 N ATOM 0 H GLN A 275 -11.715 6.239 -2.868 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.254 5.074 -4.007 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.276 5.091 -6.297 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.001 4.800 -6.401 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -13.428 7.100 -5.542 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -11.701 7.387 -5.479 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -14.303 8.189 -7.185 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -13.615 8.323 -8.806 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.041 2.933 -3.044 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.678 1.593 -2.685 1.00 0.69 C ATOM 1107 C CYS A 276 -12.401 1.278 -1.412 1.00 0.75 C ATOM 1108 O CYS A 276 -12.243 1.970 -0.402 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.164 1.478 -2.494 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.621 -0.030 -1.654 1.00 2.00 S ATOM 0 H CYS A 276 -12.397 3.482 -2.261 1.00 0.60 H new ATOM 0 HA CYS A 276 -11.953 0.889 -3.471 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.683 1.527 -3.471 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.817 2.340 -1.925 1.00 0.80 H new ATOM 0 HG CYS A 276 -8.436 -0.359 -2.075 1.00 2.00 H new ATOM 1116 N SER A 277 -13.377 0.430 -1.541 1.00 0.54 N ATOM 1117 CA SER A 277 -14.281 0.186 -0.466 1.00 0.52 C ATOM 1118 C SER A 277 -14.758 -1.257 -0.530 1.00 0.48 C ATOM 1119 O SER A 277 -13.941 -2.164 -0.701 1.00 0.47 O ATOM 1120 CB SER A 277 -15.451 1.163 -0.547 1.00 0.56 C ATOM 1121 OG SER A 277 -15.978 1.224 -1.858 1.00 0.63 O ATOM 0 H SER A 277 -13.565 -0.106 -2.388 1.00 0.54 H new ATOM 0 HA SER A 277 -13.779 0.341 0.489 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.233 0.856 0.148 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.121 2.155 -0.238 1.00 0.56 H new ATOM 0 HG SER A 277 -16.727 1.856 -1.880 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.073 -1.468 -0.478 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.647 -2.809 -0.552 1.00 0.54 C ATOM 1129 C LEU A 278 -16.558 -3.385 -1.972 1.00 0.58 C ATOM 1130 O LEU A 278 -17.555 -3.839 -2.535 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.106 -2.795 -0.085 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.369 -3.482 1.259 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -18.021 -4.960 1.183 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.579 -2.806 2.368 1.00 0.79 C ATOM 0 H LEU A 278 -16.763 -0.722 -0.384 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.065 -3.450 0.110 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.439 -1.759 -0.016 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.719 -3.277 -0.847 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.431 -3.391 1.487 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -18.215 -5.429 2.147 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.631 -5.439 0.417 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.967 -5.073 0.930 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.779 -3.308 3.315 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.514 -2.865 2.144 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.877 -1.760 2.442 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.362 -3.352 -2.541 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.122 -3.865 -3.883 1.00 0.61 C ATOM 1148 C ALA A 279 -13.649 -4.209 -4.059 1.00 0.58 C ATOM 1149 O ALA A 279 -13.312 -5.299 -4.520 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.569 -2.858 -4.933 1.00 0.71 C ATOM 0 H ALA A 279 -14.532 -2.970 -2.087 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.709 -4.774 -4.017 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.381 -3.262 -5.928 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.635 -2.661 -4.817 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.012 -1.929 -4.807 1.00 0.71 H new ATOM 1156 N ASP A 280 -12.765 -3.306 -3.635 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.324 -3.561 -3.709 1.00 0.59 C ATOM 1158 C ASP A 280 -10.841 -4.376 -2.509 1.00 0.50 C ATOM 1159 O ASP A 280 -9.641 -4.497 -2.271 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.547 -2.250 -3.799 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.613 -1.622 -5.176 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -10.001 -2.169 -6.115 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -11.289 -0.584 -5.326 1.00 1.84 O ATOM 0 H ASP A 280 -13.016 -2.400 -3.240 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.140 -4.142 -4.612 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -10.942 -1.548 -3.065 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.505 -2.432 -3.537 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.788 -5.004 -1.819 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.494 -5.918 -0.718 1.00 0.33 C ATOM 1170 C ASP A 281 -10.746 -7.135 -1.256 1.00 0.34 C ATOM 1171 O ASP A 281 -11.324 -7.944 -1.986 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.809 -6.369 -0.068 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.614 -7.187 1.194 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -12.396 -6.590 2.266 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -12.682 -8.434 1.121 1.00 0.81 O ATOM 0 H ASP A 281 -12.784 -4.894 -2.007 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.876 -5.412 0.024 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.408 -5.490 0.168 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.377 -6.958 -0.788 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.451 -7.219 -0.964 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.605 -8.279 -1.514 1.00 0.37 C ATOM 1182 C ALA A 282 -7.228 -8.272 -0.854 1.00 0.35 C ATOM 1183 O ALA A 282 -7.101 -8.575 0.330 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.476 -8.127 -3.028 1.00 0.48 C ATOM 0 H ALA A 282 -8.963 -6.567 -0.350 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.078 -9.238 -1.302 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.844 -8.923 -3.421 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.464 -8.189 -3.485 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.029 -7.160 -3.260 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.196 -7.928 -1.619 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.844 -7.831 -1.084 1.00 0.17 C ATOM 1192 C ALA A 283 -4.042 -6.790 -1.857 1.00 0.15 C ATOM 1193 O ALA A 283 -4.056 -6.793 -3.087 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.152 -9.187 -1.133 1.00 0.22 C ATOM 0 H ALA A 283 -6.272 -7.712 -2.613 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.904 -7.516 -0.042 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.144 -9.096 -0.730 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.717 -9.905 -0.539 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.100 -9.532 -2.166 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.293 -5.951 -1.146 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.403 -4.990 -1.795 1.00 0.13 C ATOM 1202 C TYR A 284 -0.962 -5.189 -1.306 1.00 0.14 C ATOM 1203 O TYR A 284 -0.630 -4.878 -0.166 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.838 -3.524 -1.557 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.021 -3.040 -2.394 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.006 -3.918 -2.832 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.145 -1.690 -2.759 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.071 -3.480 -3.593 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.211 -1.252 -3.519 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.168 -2.149 -3.932 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.229 -1.711 -4.689 1.00 0.41 O ATOM 0 H TYR A 284 -3.284 -5.916 -0.127 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.460 -5.177 -2.867 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.090 -3.406 -0.503 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -1.986 -2.874 -1.756 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.936 -4.964 -2.572 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.394 -0.982 -2.440 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.826 -4.179 -3.922 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.293 -0.209 -3.788 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.148 -0.746 -4.838 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.102 -5.628 -2.213 1.00 0.13 N ATOM 1222 CA GLN A 285 1.316 -5.763 -1.958 1.00 0.13 C ATOM 1223 C GLN A 285 2.007 -4.410 -2.096 1.00 0.12 C ATOM 1224 O GLN A 285 1.421 -3.453 -2.601 1.00 0.13 O ATOM 1225 CB GLN A 285 1.953 -6.759 -2.938 1.00 0.12 C ATOM 1226 CG GLN A 285 1.344 -8.150 -2.906 1.00 0.15 C ATOM 1227 CD GLN A 285 0.128 -8.315 -3.802 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.098 -7.370 -4.702 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.596 -9.299 -3.694 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.377 -5.902 -3.156 1.00 0.13 H new ATOM 0 HA GLN A 285 1.442 -6.136 -0.941 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.866 -6.361 -3.949 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.017 -6.837 -2.717 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.102 -8.874 -3.204 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.061 -8.388 -1.880 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.392 -10.008 -2.989 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.402 -9.409 -4.309 1.00 0.18 H new ATOM 1238 N CYS A 286 3.253 -4.341 -1.668 1.00 0.14 N ATOM 1239 CA CYS A 286 4.018 -3.104 -1.742 1.00 0.19 C ATOM 1240 C CYS A 286 5.305 -3.301 -2.487 1.00 0.19 C ATOM 1241 O CYS A 286 5.848 -4.400 -2.479 1.00 0.20 O ATOM 1242 CB CYS A 286 4.310 -2.609 -0.365 1.00 0.28 C ATOM 1243 SG CYS A 286 5.139 -3.801 0.711 1.00 1.00 S ATOM 0 H CYS A 286 3.761 -5.128 -1.264 1.00 0.14 H new ATOM 0 HA CYS A 286 3.420 -2.370 -2.282 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.930 -1.716 -0.439 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.373 -2.308 0.104 1.00 0.28 H new ATOM 0 HG CYS A 286 6.230 -3.275 1.182 1.00 1.00 H new ATOM 1249 N VAL A 287 5.652 -2.330 -3.329 1.00 0.20 N ATOM 1250 CA VAL A 287 6.697 -2.566 -4.298 1.00 0.21 C ATOM 1251 C VAL A 287 7.583 -1.342 -4.569 1.00 0.22 C ATOM 1252 O VAL A 287 7.126 -0.209 -4.710 1.00 0.24 O ATOM 1253 CB VAL A 287 6.079 -3.133 -5.607 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.602 -3.443 -5.388 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.265 -2.208 -6.801 1.00 0.27 C ATOM 0 H VAL A 287 5.233 -1.400 -3.355 1.00 0.20 H new ATOM 0 HA VAL A 287 7.372 -3.305 -3.867 1.00 0.21 H new ATOM 0 HB VAL A 287 6.615 -4.051 -5.847 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.173 -3.840 -6.308 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.499 -4.180 -4.592 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.076 -2.530 -5.107 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.813 -2.659 -7.684 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.787 -1.250 -6.597 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.329 -2.052 -6.978 1.00 0.27 H new ATOM 1265 N VAL A 288 8.869 -1.599 -4.682 1.00 0.24 N ATOM 1266 CA VAL A 288 9.821 -0.566 -5.032 1.00 0.26 C ATOM 1267 C VAL A 288 10.733 -1.088 -6.129 1.00 0.33 C ATOM 1268 O VAL A 288 11.352 -2.143 -5.979 1.00 0.37 O ATOM 1269 CB VAL A 288 10.657 -0.111 -3.817 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.781 0.800 -4.256 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.784 0.601 -2.799 1.00 0.36 C ATOM 0 H VAL A 288 9.281 -2.520 -4.536 1.00 0.24 H new ATOM 0 HA VAL A 288 9.267 0.305 -5.383 1.00 0.26 H new ATOM 0 HB VAL A 288 11.084 -0.999 -3.351 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.359 1.110 -3.385 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.430 0.268 -4.952 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.365 1.680 -4.748 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.394 0.913 -1.951 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.328 1.477 -3.260 1.00 0.36 H new ATOM 0 HG23 VAL A 288 9.002 -0.075 -2.454 1.00 0.36 H new ATOM 1281 N GLY A 289 10.682 -0.430 -7.281 1.00 0.43 N ATOM 1282 CA GLY A 289 11.396 -0.896 -8.457 1.00 0.57 C ATOM 1283 C GLY A 289 10.739 -2.114 -9.083 1.00 0.73 C ATOM 1284 O GLY A 289 10.209 -2.047 -10.193 1.00 1.51 O ATOM 0 H GLY A 289 10.152 0.430 -7.423 1.00 0.43 H new ATOM 0 HA2 GLY A 289 11.444 -0.093 -9.193 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.423 -1.140 -8.184 1.00 0.57 H new ATOM 1288 N GLY A 290 10.706 -3.201 -8.331 1.00 0.41 N ATOM 1289 CA GLY A 290 10.071 -4.422 -8.780 1.00 0.41 C ATOM 1290 C GLY A 290 10.093 -5.472 -7.692 1.00 0.37 C ATOM 1291 O GLY A 290 10.254 -6.659 -7.957 1.00 0.64 O ATOM 0 H GLY A 290 11.116 -3.259 -7.399 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.041 -4.215 -9.071 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.583 -4.799 -9.665 1.00 0.41 H new ATOM 1295 N GLU A 291 9.963 -5.012 -6.459 1.00 0.27 N ATOM 1296 CA GLU A 291 9.989 -5.881 -5.290 1.00 0.22 C ATOM 1297 C GLU A 291 8.639 -5.784 -4.591 1.00 0.16 C ATOM 1298 O GLU A 291 8.257 -4.694 -4.227 1.00 0.19 O ATOM 1299 CB GLU A 291 11.096 -5.382 -4.343 1.00 0.26 C ATOM 1300 CG GLU A 291 12.433 -5.158 -5.035 1.00 0.53 C ATOM 1301 CD GLU A 291 13.423 -4.399 -4.172 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.134 -4.176 -2.979 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.509 -4.040 -4.682 1.00 2.11 O ATOM 0 H GLU A 291 9.836 -4.024 -6.238 1.00 0.27 H new ATOM 0 HA GLU A 291 10.184 -6.915 -5.575 1.00 0.22 H new ATOM 0 HB2 GLU A 291 10.774 -4.449 -3.881 1.00 0.26 H new ATOM 0 HB3 GLU A 291 11.229 -6.106 -3.539 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.861 -6.122 -5.308 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.269 -4.608 -5.962 1.00 0.53 H new ATOM 1310 N LYS A 292 7.918 -6.891 -4.392 1.00 0.18 N ATOM 1311 CA LYS A 292 6.582 -6.809 -3.780 1.00 0.16 C ATOM 1312 C LYS A 292 6.447 -7.636 -2.497 1.00 0.17 C ATOM 1313 O LYS A 292 6.848 -8.799 -2.435 1.00 0.29 O ATOM 1314 CB LYS A 292 5.497 -7.188 -4.789 1.00 0.18 C ATOM 1315 CG LYS A 292 5.801 -8.429 -5.604 1.00 0.23 C ATOM 1316 CD LYS A 292 4.734 -8.643 -6.658 1.00 0.29 C ATOM 1317 CE LYS A 292 5.182 -9.637 -7.718 1.00 0.49 C ATOM 1318 NZ LYS A 292 6.390 -9.163 -8.446 1.00 1.33 N ATOM 0 H LYS A 292 8.223 -7.833 -4.637 1.00 0.18 H new ATOM 0 HA LYS A 292 6.446 -5.768 -3.486 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.559 -7.341 -4.255 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.343 -6.351 -5.470 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.777 -8.329 -6.080 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.853 -9.298 -4.949 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.821 -9.003 -6.184 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.493 -7.691 -7.131 1.00 0.29 H new ATOM 0 HE2 LYS A 292 5.394 -10.598 -7.249 1.00 0.49 H new ATOM 0 HE3 LYS A 292 4.371 -9.801 -8.428 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 6.432 -9.616 -9.381 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 6.342 -8.131 -8.563 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 7.242 -9.410 -7.903 1.00 1.33 H new ATOM 1332 N CYS A 293 5.807 -7.024 -1.501 1.00 0.16 N ATOM 1333 CA CYS A 293 5.503 -7.675 -0.229 1.00 0.18 C ATOM 1334 C CYS A 293 4.001 -7.626 -0.033 1.00 0.15 C ATOM 1335 O CYS A 293 3.401 -6.570 -0.208 1.00 0.14 O ATOM 1336 CB CYS A 293 6.191 -6.957 0.940 1.00 0.28 C ATOM 1337 SG CYS A 293 6.115 -7.846 2.512 1.00 1.55 S ATOM 0 H CYS A 293 5.484 -6.058 -1.555 1.00 0.16 H new ATOM 0 HA CYS A 293 5.867 -8.702 -0.251 1.00 0.18 H new ATOM 0 HB2 CYS A 293 7.237 -6.789 0.682 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.732 -5.977 1.069 1.00 0.28 H new ATOM 0 HG CYS A 293 6.290 -9.117 2.301 1.00 1.55 H new ATOM 1343 N SER A 294 3.384 -8.777 0.166 1.00 0.17 N ATOM 1344 CA SER A 294 1.933 -8.860 0.162 1.00 0.18 C ATOM 1345 C SER A 294 1.310 -8.451 1.485 1.00 0.17 C ATOM 1346 O SER A 294 1.783 -8.817 2.559 1.00 0.20 O ATOM 1347 CB SER A 294 1.500 -10.279 -0.204 1.00 0.27 C ATOM 1348 OG SER A 294 2.193 -11.236 0.580 1.00 0.61 O ATOM 0 H SER A 294 3.861 -9.663 0.332 1.00 0.17 H new ATOM 0 HA SER A 294 1.574 -8.151 -0.585 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.426 -10.387 -0.052 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.692 -10.461 -1.261 1.00 0.27 H new ATOM 0 HG SER A 294 1.900 -12.137 0.331 1.00 0.61 H new ATOM 1354 N THR A 295 0.182 -7.776 1.379 1.00 0.17 N ATOM 1355 CA THR A 295 -0.608 -7.405 2.528 1.00 0.15 C ATOM 1356 C THR A 295 -2.080 -7.486 2.141 1.00 0.15 C ATOM 1357 O THR A 295 -2.449 -7.119 1.023 1.00 0.15 O ATOM 1358 CB THR A 295 -0.232 -5.987 3.029 1.00 0.18 C ATOM 1359 OG1 THR A 295 0.072 -6.037 4.426 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.344 -4.972 2.779 1.00 0.20 C ATOM 0 H THR A 295 -0.210 -7.470 0.489 1.00 0.17 H new ATOM 0 HA THR A 295 -0.409 -8.090 3.352 1.00 0.15 H new ATOM 0 HB THR A 295 0.642 -5.659 2.465 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.167 -5.183 4.843 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.034 -3.994 3.147 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.546 -4.910 1.710 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.248 -5.286 3.301 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.887 -8.126 2.968 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.278 -8.338 2.612 1.00 0.15 C ATOM 1370 C GLU A 296 -5.086 -7.078 2.873 1.00 0.14 C ATOM 1371 O GLU A 296 -4.768 -6.297 3.771 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.859 -9.532 3.359 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.022 -10.781 3.200 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.724 -12.028 3.688 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.012 -12.122 4.898 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -4.990 -12.924 2.858 1.00 0.96 O ATOM 0 H GLU A 296 -2.610 -8.502 3.875 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.331 -8.563 1.547 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -4.943 -9.288 4.418 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.868 -9.727 2.996 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.761 -10.905 2.149 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.088 -10.658 3.748 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.061 -6.837 2.024 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.868 -5.640 2.110 1.00 0.15 C ATOM 1385 C LEU A 297 -8.309 -5.993 2.438 1.00 0.15 C ATOM 1386 O LEU A 297 -9.011 -6.610 1.629 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.795 -4.863 0.792 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.606 -3.571 0.753 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -7.327 -2.745 1.997 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.260 -2.779 -0.494 1.00 0.29 C ATOM 0 H LEU A 297 -6.316 -7.461 1.259 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.478 -5.011 2.911 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.751 -4.624 0.587 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.138 -5.513 -0.013 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.667 -3.818 0.728 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.910 -1.825 1.961 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.605 -3.316 2.883 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -6.266 -2.501 2.041 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.843 -1.858 -0.514 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.198 -2.535 -0.487 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.490 -3.374 -1.378 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.755 -5.540 3.598 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.127 -5.739 4.022 1.00 0.19 C ATOM 1404 C PHE A 298 -10.809 -4.392 4.169 1.00 0.19 C ATOM 1405 O PHE A 298 -10.219 -3.448 4.688 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.191 -6.488 5.357 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.573 -7.858 5.334 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.198 -8.018 5.364 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.374 -8.986 5.285 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.633 -9.278 5.348 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -9.814 -10.249 5.268 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.441 -10.395 5.301 1.00 0.45 C ATOM 0 H PHE A 298 -8.179 -5.028 4.266 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.635 -6.338 3.267 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.690 -5.890 6.119 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.235 -6.579 5.658 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.560 -7.147 5.400 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.448 -8.878 5.260 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.559 -9.389 5.372 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.449 -11.121 5.229 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.001 -11.381 5.290 1.00 0.45 H new ATOM 1422 N VAL A 299 -12.019 -4.276 3.667 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.728 -3.017 3.760 1.00 0.28 C ATOM 1424 C VAL A 299 -13.764 -3.027 4.874 1.00 0.32 C ATOM 1425 O VAL A 299 -14.561 -3.959 5.003 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.387 -2.604 2.428 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.240 -3.712 1.852 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -14.207 -1.340 2.616 1.00 0.35 C ATOM 0 H VAL A 299 -12.527 -5.025 3.197 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.970 -2.271 4.000 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.589 -2.406 1.713 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.685 -3.379 0.914 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.621 -4.590 1.668 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -15.030 -3.967 2.558 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.666 -1.060 1.668 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.985 -1.518 3.358 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.559 -0.533 2.957 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.785 -1.940 5.622 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.782 -1.723 6.646 1.00 0.41 C ATOM 1440 C LYS A 300 -15.748 -0.653 6.159 1.00 0.40 C ATOM 1441 O LYS A 300 -15.322 0.348 5.584 1.00 0.37 O ATOM 1442 CB LYS A 300 -14.099 -1.289 7.947 1.00 0.48 C ATOM 1443 CG LYS A 300 -15.003 -1.317 9.167 1.00 1.17 C ATOM 1444 CD LYS A 300 -14.228 -0.981 10.432 1.00 1.72 C ATOM 1445 CE LYS A 300 -13.123 -1.994 10.697 1.00 2.32 C ATOM 1446 NZ LYS A 300 -12.369 -1.690 11.942 1.00 3.03 N ATOM 0 H LYS A 300 -13.108 -1.182 5.534 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.333 -2.643 6.843 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.243 -1.939 8.129 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -13.711 -0.278 7.820 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -15.818 -0.605 9.036 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -15.455 -2.304 9.265 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -13.795 0.015 10.341 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -14.910 -0.955 11.282 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -13.557 -2.991 10.771 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -12.435 -2.008 9.852 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -11.627 -2.405 12.082 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -11.932 -0.749 11.863 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -13.019 -1.702 12.753 1.00 3.03 H new ATOM 1460 N GLU A 301 -17.036 -0.924 6.271 1.00 0.50 N ATOM 1461 CA GLU A 301 -18.056 -0.021 5.757 1.00 0.57 C ATOM 1462 C GLU A 301 -18.068 1.298 6.535 1.00 0.65 C ATOM 1463 O GLU A 301 -17.509 1.335 7.654 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.433 -0.680 5.847 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.618 -1.836 4.884 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.872 -2.635 5.169 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.970 -2.041 5.192 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -20.767 -3.863 5.362 1.00 1.21 O ATOM 1469 OXT GLU A 301 -18.661 2.280 6.039 1.00 1.20 O ATOM 0 H GLU A 301 -17.404 -1.765 6.715 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.821 0.194 4.715 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.589 -1.038 6.865 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.199 0.071 5.652 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.660 -1.452 3.865 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.751 -2.494 4.941 1.00 0.66 H new TER 1476 GLU A 301