USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot 152:sc= 0.699 USER MOD Set 1.2: A 60 CYS SG : rot -71:sc= -2.99 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -2.81 K(o=-6.8,f=-8.4!) USER MOD Set 1.4: A 74 THR OG1 : rot 78:sc= 0.516 USER MOD Set 1.5: A 78 HIS : no HD1:sc= -2.19! K(o=-6.8!,f=-7.9) USER MOD Set 2.1: A 52 GLN : amide:sc= -1.07 K(o=-1.3,f=-2.5!) USER MOD Set 2.2: A 65 LYS NZ :NH3+ -148:sc= -0.183 (180deg=0) USER MOD Set 3.1: A 27 CYS SG : rot -148:sc= -0.272 USER MOD Set 3.2: A 30 CYS SG : rot -71:sc= -3.5! USER MOD Set 3.3: A 44 HIS : no HD1:sc= -7.6! C(o=-11!,f=-9.3!) USER MOD Set 3.4: A 48 CYS SG : rot 158:sc= 0.369 USER MOD Single : A 14 GLN : amide:sc= -0.0606 K(o=-0.061,f=-1.3) USER MOD Single : A 16 GLN : amide:sc= -0.645 K(o=-0.64,f=-2.2!) USER MOD Single : A 20 HIS : no HD1:sc= -2.63! K(o=-2.6!,f=-0.9) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -4.46! C(o=-4.5!,f=-5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.005 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -2:sc= -0.582 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -137:sc= -4.34 (180deg=-7.19!) USER MOD Single : A 49 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.54 K(o=-1.5,f=-9.7!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -2.36 K(o=-2.4,f=-8.1!) USER MOD Single : A 66 SER OG : rot 22:sc= 0.447 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.3) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 157:sc= -0.0294 (180deg=-0.838) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -4.391 16.700 -7.110 1.00 0.00 N ATOM 95 CA PRO A 11 -4.472 15.995 -8.393 1.00 0.00 C ATOM 96 C PRO A 11 -3.151 16.022 -9.154 1.00 0.00 C ATOM 97 O PRO A 11 -2.668 14.987 -9.613 1.00 0.00 O ATOM 98 CB PRO A 11 -5.546 16.773 -9.158 1.00 0.00 C ATOM 99 CG PRO A 11 -5.520 18.138 -8.563 1.00 0.00 C ATOM 100 CD PRO A 11 -5.166 17.952 -7.114 1.00 0.00 C ATOM 0 HA PRO A 11 -4.703 14.938 -8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.329 16.802 -10.226 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.526 16.310 -9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.787 18.769 -9.066 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.488 18.628 -8.668 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.580 18.788 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.056 17.876 -6.490 1.00 0.00 H new ATOM 108 N GLU A 12 -2.572 17.211 -9.282 1.00 0.00 N ATOM 109 CA GLU A 12 -1.306 17.371 -9.988 1.00 0.00 C ATOM 110 C GLU A 12 -0.224 17.902 -9.052 1.00 0.00 C ATOM 111 O GLU A 12 0.150 19.072 -9.120 1.00 0.00 O ATOM 112 CB GLU A 12 -1.476 18.319 -11.178 1.00 0.00 C ATOM 113 CG GLU A 12 -2.421 17.793 -12.245 1.00 0.00 C ATOM 114 CD GLU A 12 -3.069 18.903 -13.049 1.00 0.00 C ATOM 115 OE1 GLU A 12 -2.472 19.996 -13.138 1.00 0.00 O ATOM 116 OE2 GLU A 12 -4.172 18.679 -13.589 1.00 0.00 O ATOM 0 H GLU A 12 -2.959 18.077 -8.907 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.997 16.392 -10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.847 19.278 -10.817 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.500 18.503 -11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.872 17.135 -12.918 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.197 17.191 -11.773 1.00 0.00 H new ATOM 123 N GLU A 13 0.273 17.032 -8.178 1.00 0.00 N ATOM 124 CA GLU A 13 1.311 17.414 -7.228 1.00 0.00 C ATOM 125 C GLU A 13 2.699 17.119 -7.789 1.00 0.00 C ATOM 126 O GLU A 13 3.540 18.011 -7.891 1.00 0.00 O ATOM 127 CB GLU A 13 1.116 16.674 -5.902 1.00 0.00 C ATOM 128 CG GLU A 13 2.154 17.027 -4.850 1.00 0.00 C ATOM 129 CD GLU A 13 1.822 18.309 -4.111 1.00 0.00 C ATOM 130 OE1 GLU A 13 0.658 18.465 -3.686 1.00 0.00 O ATOM 131 OE2 GLU A 13 2.727 19.156 -3.957 1.00 0.00 O ATOM 0 H GLU A 13 -0.026 16.059 -8.108 1.00 0.00 H new ATOM 0 HA GLU A 13 1.231 18.487 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.124 16.900 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.149 15.600 -6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.233 16.209 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.129 17.129 -5.327 1.00 0.00 H new ATOM 138 N GLN A 14 2.929 15.861 -8.150 1.00 0.00 N ATOM 139 CA GLN A 14 4.215 15.447 -8.700 1.00 0.00 C ATOM 140 C GLN A 14 4.313 15.800 -10.180 1.00 0.00 C ATOM 141 O GLN A 14 5.382 16.161 -10.673 1.00 0.00 O ATOM 142 CB GLN A 14 4.415 13.943 -8.508 1.00 0.00 C ATOM 143 CG GLN A 14 5.840 13.481 -8.769 1.00 0.00 C ATOM 144 CD GLN A 14 6.197 12.226 -7.997 1.00 0.00 C ATOM 145 OE1 GLN A 14 5.331 11.577 -7.409 1.00 0.00 O ATOM 146 NE2 GLN A 14 7.478 11.877 -7.995 1.00 0.00 N ATOM 0 H GLN A 14 2.242 15.111 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 14 5.000 15.982 -8.165 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.136 13.675 -7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.740 13.407 -9.175 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.968 13.296 -9.835 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.532 14.279 -8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.162 12.444 -8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.778 11.042 -7.493 1.00 0.00 H new ATOM 155 N TRP A 15 3.191 15.694 -10.884 1.00 0.00 N ATOM 156 CA TRP A 15 3.152 16.002 -12.309 1.00 0.00 C ATOM 157 C TRP A 15 3.423 17.482 -12.554 1.00 0.00 C ATOM 158 O TRP A 15 4.161 17.843 -13.471 1.00 0.00 O ATOM 159 CB TRP A 15 1.793 15.616 -12.897 1.00 0.00 C ATOM 160 CG TRP A 15 1.502 14.149 -12.806 1.00 0.00 C ATOM 161 CD1 TRP A 15 2.405 13.127 -12.882 1.00 0.00 C ATOM 162 CD2 TRP A 15 0.219 13.540 -12.624 1.00 0.00 C ATOM 163 NE1 TRP A 15 1.761 11.920 -12.757 1.00 0.00 N ATOM 164 CE2 TRP A 15 0.420 12.146 -12.597 1.00 0.00 C ATOM 165 CE3 TRP A 15 -1.079 14.036 -12.478 1.00 0.00 C ATOM 166 CZ2 TRP A 15 -0.630 11.246 -12.433 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -2.120 13.142 -12.316 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.891 11.760 -12.293 1.00 0.00 C ATOM 0 H TRP A 15 2.297 15.397 -10.492 1.00 0.00 H new ATOM 0 HA TRP A 15 3.932 15.423 -12.802 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.010 16.167 -12.376 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.757 15.922 -13.943 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.469 13.250 -13.020 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.209 11.004 -12.780 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.265 15.100 -12.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.456 10.180 -12.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.127 13.515 -12.205 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.726 11.087 -12.162 1.00 0.00 H new ATOM 179 N GLN A 16 2.823 18.334 -11.729 1.00 0.00 N ATOM 180 CA GLN A 16 3.002 19.775 -11.858 1.00 0.00 C ATOM 181 C GLN A 16 4.426 20.182 -11.497 1.00 0.00 C ATOM 182 O GLN A 16 4.987 21.105 -12.087 1.00 0.00 O ATOM 183 CB GLN A 16 2.005 20.516 -10.964 1.00 0.00 C ATOM 184 CG GLN A 16 2.107 22.029 -11.062 1.00 0.00 C ATOM 185 CD GLN A 16 1.966 22.532 -12.485 1.00 0.00 C ATOM 186 OE1 GLN A 16 1.459 21.827 -13.358 1.00 0.00 O ATOM 187 NE2 GLN A 16 2.414 23.759 -12.727 1.00 0.00 N ATOM 0 H GLN A 16 2.209 18.052 -10.965 1.00 0.00 H new ATOM 0 HA GLN A 16 2.819 20.046 -12.898 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.993 20.210 -11.231 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.166 20.216 -9.929 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.334 22.482 -10.442 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.068 22.351 -10.660 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.827 24.309 -11.974 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.345 24.151 -13.666 1.00 0.00 H new ATOM 196 N ARG A 17 5.006 19.487 -10.523 1.00 0.00 N ATOM 197 CA ARG A 17 6.365 19.777 -10.083 1.00 0.00 C ATOM 198 C ARG A 17 7.387 19.245 -11.083 1.00 0.00 C ATOM 199 O ARG A 17 8.190 20.002 -11.627 1.00 0.00 O ATOM 200 CB ARG A 17 6.619 19.165 -8.704 1.00 0.00 C ATOM 201 CG ARG A 17 6.164 20.047 -7.553 1.00 0.00 C ATOM 202 CD ARG A 17 6.238 19.311 -6.224 1.00 0.00 C ATOM 203 NE ARG A 17 7.601 19.255 -5.704 1.00 0.00 N ATOM 204 CZ ARG A 17 8.047 18.284 -4.914 1.00 0.00 C ATOM 205 NH1 ARG A 17 7.241 17.295 -4.555 1.00 0.00 N ATOM 206 NH2 ARG A 17 9.301 18.303 -4.481 1.00 0.00 N ATOM 0 H ARG A 17 4.556 18.720 -10.024 1.00 0.00 H new ATOM 0 HA ARG A 17 6.475 20.860 -10.019 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.105 18.206 -8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.685 18.963 -8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.786 20.941 -7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.141 20.379 -7.730 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.594 19.807 -5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.856 18.298 -6.349 1.00 0.00 H new ATOM 0 HE ARG A 17 8.246 20.002 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.276 17.278 -4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.586 16.551 -3.949 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.923 19.063 -4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.643 17.557 -3.875 1.00 0.00 H new ATOM 220 N ALA A 18 7.349 17.938 -11.320 1.00 0.00 N ATOM 221 CA ALA A 18 8.270 17.304 -12.256 1.00 0.00 C ATOM 222 C ALA A 18 8.273 18.028 -13.598 1.00 0.00 C ATOM 223 O ALA A 18 9.273 18.018 -14.317 1.00 0.00 O ATOM 224 CB ALA A 18 7.906 15.839 -12.445 1.00 0.00 C ATOM 0 H ALA A 18 6.690 17.297 -10.877 1.00 0.00 H new ATOM 0 HA ALA A 18 9.274 17.366 -11.837 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.602 15.379 -13.146 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.963 15.323 -11.486 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.892 15.764 -12.838 1.00 0.00 H new ATOM 230 N ILE A 19 7.149 18.654 -13.930 1.00 0.00 N ATOM 231 CA ILE A 19 7.024 19.383 -15.186 1.00 0.00 C ATOM 232 C ILE A 19 8.026 20.531 -15.258 1.00 0.00 C ATOM 233 O ILE A 19 8.959 20.504 -16.060 1.00 0.00 O ATOM 234 CB ILE A 19 5.602 19.946 -15.370 1.00 0.00 C ATOM 235 CG1 ILE A 19 4.700 18.904 -16.036 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.641 21.224 -16.195 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.224 19.177 -15.853 1.00 0.00 C ATOM 0 H ILE A 19 6.312 18.671 -13.347 1.00 0.00 H new ATOM 0 HA ILE A 19 7.232 18.672 -15.986 1.00 0.00 H new ATOM 0 HB ILE A 19 5.191 20.182 -14.389 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.925 18.869 -17.102 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.933 17.920 -15.628 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.629 21.610 -16.316 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.254 21.967 -15.685 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.068 21.012 -17.175 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.646 18.399 -16.351 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.984 19.183 -14.790 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.977 20.146 -16.286 1.00 0.00 H new ATOM 249 N HIS A 20 7.826 21.537 -14.413 1.00 0.00 N ATOM 250 CA HIS A 20 8.714 22.694 -14.378 1.00 0.00 C ATOM 251 C HIS A 20 10.101 22.300 -13.878 1.00 0.00 C ATOM 252 O HIS A 20 11.091 22.966 -14.179 1.00 0.00 O ATOM 253 CB HIS A 20 8.128 23.787 -13.485 1.00 0.00 C ATOM 254 CG HIS A 20 9.165 24.593 -12.765 1.00 0.00 C ATOM 255 ND1 HIS A 20 9.380 25.933 -13.009 1.00 0.00 N ATOM 256 CD2 HIS A 20 10.049 24.241 -11.802 1.00 0.00 C ATOM 257 CE1 HIS A 20 10.352 26.370 -12.228 1.00 0.00 C ATOM 258 NE2 HIS A 20 10.775 25.363 -11.486 1.00 0.00 N ATOM 0 H HIS A 20 7.057 21.575 -13.744 1.00 0.00 H new ATOM 0 HA HIS A 20 8.809 23.078 -15.394 1.00 0.00 H new ATOM 0 HB2 HIS A 20 7.519 24.455 -14.094 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.463 23.329 -12.753 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.162 23.260 -11.364 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.735 27.379 -12.201 1.00 0.00 H new ATOM 0 HE2 HIS A 20 11.520 25.411 -10.791 1.00 0.00 H new ATOM 266 N GLU A 21 10.162 21.215 -13.112 1.00 0.00 N ATOM 267 CA GLU A 21 11.427 20.735 -12.569 1.00 0.00 C ATOM 268 C GLU A 21 12.439 20.487 -13.684 1.00 0.00 C ATOM 269 O GLU A 21 13.558 20.997 -13.646 1.00 0.00 O ATOM 270 CB GLU A 21 11.209 19.450 -11.768 1.00 0.00 C ATOM 271 CG GLU A 21 10.882 19.693 -10.304 1.00 0.00 C ATOM 272 CD GLU A 21 10.888 18.417 -9.486 1.00 0.00 C ATOM 273 OE1 GLU A 21 11.769 17.564 -9.721 1.00 0.00 O ATOM 274 OE2 GLU A 21 10.010 18.271 -8.609 1.00 0.00 O ATOM 0 H GLU A 21 9.351 20.653 -12.854 1.00 0.00 H new ATOM 0 HA GLU A 21 11.824 21.504 -11.907 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.398 18.881 -12.223 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.106 18.834 -11.834 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.606 20.392 -9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.902 20.165 -10.228 1.00 0.00 H new ATOM 281 N ARG A 22 12.036 19.699 -14.676 1.00 0.00 N ATOM 282 CA ARG A 22 12.907 19.381 -15.801 1.00 0.00 C ATOM 283 C ARG A 22 12.297 19.863 -17.114 1.00 0.00 C ATOM 284 O ARG A 22 12.914 20.632 -17.851 1.00 0.00 O ATOM 285 CB ARG A 22 13.160 17.873 -15.868 1.00 0.00 C ATOM 286 CG ARG A 22 11.889 17.047 -15.973 1.00 0.00 C ATOM 287 CD ARG A 22 12.083 15.650 -15.403 1.00 0.00 C ATOM 288 NE ARG A 22 12.826 14.785 -16.315 1.00 0.00 N ATOM 289 CZ ARG A 22 12.937 13.471 -16.155 1.00 0.00 C ATOM 290 NH1 ARG A 22 12.357 12.874 -15.124 1.00 0.00 N ATOM 291 NH2 ARG A 22 13.630 12.752 -17.028 1.00 0.00 N ATOM 0 H ARG A 22 11.112 19.269 -14.723 1.00 0.00 H new ATOM 0 HA ARG A 22 13.856 19.896 -15.650 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.795 17.657 -16.727 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.711 17.566 -14.979 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.082 17.550 -15.440 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.585 16.976 -17.017 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.614 15.717 -14.453 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.110 15.206 -15.194 1.00 0.00 H new ATOM 0 HE ARG A 22 13.285 15.213 -17.119 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.823 13.424 -14.450 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.444 11.865 -15.004 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.078 13.208 -17.823 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.715 11.743 -16.905 1.00 0.00 H new ATOM 305 N GLY A 23 11.082 19.406 -17.400 1.00 0.00 N ATOM 306 CA GLY A 23 10.410 19.801 -18.624 1.00 0.00 C ATOM 307 C GLY A 23 8.929 19.479 -18.601 1.00 0.00 C ATOM 308 O GLY A 23 8.091 20.380 -18.610 1.00 0.00 O ATOM 0 H GLY A 23 10.551 18.769 -16.806 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.544 20.872 -18.779 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.876 19.296 -19.470 1.00 0.00 H new ATOM 312 N GLU A 24 8.606 18.190 -18.574 1.00 0.00 N ATOM 313 CA GLU A 24 7.215 17.752 -18.554 1.00 0.00 C ATOM 314 C GLU A 24 7.089 16.370 -17.917 1.00 0.00 C ATOM 315 O GLU A 24 8.074 15.647 -17.779 1.00 0.00 O ATOM 316 CB GLU A 24 6.644 17.725 -19.973 1.00 0.00 C ATOM 317 CG GLU A 24 5.155 18.022 -20.036 1.00 0.00 C ATOM 318 CD GLU A 24 4.848 19.501 -19.900 1.00 0.00 C ATOM 319 OE1 GLU A 24 5.624 20.319 -20.438 1.00 0.00 O ATOM 320 OE2 GLU A 24 3.834 19.840 -19.255 1.00 0.00 O ATOM 0 H GLU A 24 9.288 17.431 -18.565 1.00 0.00 H new ATOM 0 HA GLU A 24 6.646 18.463 -17.955 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.177 18.453 -20.584 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.829 16.744 -20.411 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.756 17.658 -20.982 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.645 17.475 -19.243 1.00 0.00 H new ATOM 327 N ALA A 25 5.868 16.012 -17.531 1.00 0.00 N ATOM 328 CA ALA A 25 5.612 14.718 -16.911 1.00 0.00 C ATOM 329 C ALA A 25 4.740 13.844 -17.805 1.00 0.00 C ATOM 330 O ALA A 25 3.516 13.832 -17.675 1.00 0.00 O ATOM 331 CB ALA A 25 4.956 14.906 -15.551 1.00 0.00 C ATOM 0 H ALA A 25 5.041 16.600 -17.637 1.00 0.00 H new ATOM 0 HA ALA A 25 6.568 14.212 -16.775 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.770 13.932 -15.099 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.616 15.486 -14.906 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.011 15.436 -15.673 1.00 0.00 H new ATOM 337 N VAL A 26 5.378 13.113 -18.714 1.00 0.00 N ATOM 338 CA VAL A 26 4.660 12.235 -19.630 1.00 0.00 C ATOM 339 C VAL A 26 4.190 10.969 -18.923 1.00 0.00 C ATOM 340 O VAL A 26 4.401 10.801 -17.722 1.00 0.00 O ATOM 341 CB VAL A 26 5.536 11.843 -20.835 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.122 13.082 -21.495 1.00 0.00 C ATOM 343 CG2 VAL A 26 6.638 10.887 -20.402 1.00 0.00 C ATOM 0 H VAL A 26 6.391 13.112 -18.835 1.00 0.00 H new ATOM 0 HA VAL A 26 3.793 12.791 -19.987 1.00 0.00 H new ATOM 0 HB VAL A 26 4.910 11.333 -21.567 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.738 12.785 -22.344 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.314 13.727 -21.841 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.735 13.623 -20.774 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.248 10.620 -21.265 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.264 11.369 -19.651 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.193 9.986 -19.979 1.00 0.00 H new ATOM 353 N CYS A 27 3.552 10.079 -19.676 1.00 0.00 N ATOM 354 CA CYS A 27 3.052 8.827 -19.123 1.00 0.00 C ATOM 355 C CYS A 27 4.191 8.000 -18.532 1.00 0.00 C ATOM 356 O CYS A 27 5.109 7.573 -19.232 1.00 0.00 O ATOM 357 CB CYS A 27 2.329 8.020 -20.204 1.00 0.00 C ATOM 358 SG CYS A 27 1.575 6.476 -19.600 1.00 0.00 S ATOM 0 H CYS A 27 3.369 10.202 -20.672 1.00 0.00 H new ATOM 0 HA CYS A 27 2.348 9.066 -18.326 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.552 8.642 -20.648 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.037 7.780 -20.997 1.00 0.00 H new ATOM 0 HG CYS A 27 1.598 5.583 -20.545 1.00 0.00 H new ATOM 363 N PRO A 28 4.130 7.768 -17.212 1.00 0.00 N ATOM 364 CA PRO A 28 5.147 6.991 -16.498 1.00 0.00 C ATOM 365 C PRO A 28 5.104 5.510 -16.859 1.00 0.00 C ATOM 366 O PRO A 28 5.790 4.690 -16.246 1.00 0.00 O ATOM 367 CB PRO A 28 4.779 7.193 -15.026 1.00 0.00 C ATOM 368 CG PRO A 28 3.320 7.496 -15.039 1.00 0.00 C ATOM 369 CD PRO A 28 3.064 8.247 -16.316 1.00 0.00 C ATOM 0 HA PRO A 28 6.157 7.315 -16.748 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.993 6.300 -14.438 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.349 8.010 -14.584 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.731 6.580 -15.000 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.038 8.093 -14.172 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.074 8.031 -16.718 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.119 9.325 -16.166 1.00 0.00 H new ATOM 377 N THR A 29 4.295 5.172 -17.858 1.00 0.00 N ATOM 378 CA THR A 29 4.162 3.790 -18.300 1.00 0.00 C ATOM 379 C THR A 29 4.765 3.596 -19.687 1.00 0.00 C ATOM 380 O THR A 29 5.737 2.858 -19.855 1.00 0.00 O ATOM 381 CB THR A 29 2.687 3.348 -18.328 1.00 0.00 C ATOM 382 OG1 THR A 29 2.110 3.485 -17.025 1.00 0.00 O ATOM 383 CG2 THR A 29 2.563 1.905 -18.794 1.00 0.00 C ATOM 0 H THR A 29 3.722 5.837 -18.377 1.00 0.00 H new ATOM 0 HA THR A 29 4.704 3.175 -17.581 1.00 0.00 H new ATOM 0 HB THR A 29 2.152 3.987 -19.031 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.172 3.204 -17.052 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.512 1.615 -18.806 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.977 1.810 -19.798 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.111 1.254 -18.113 1.00 0.00 H new ATOM 391 N CYS A 30 4.184 4.263 -20.678 1.00 0.00 N ATOM 392 CA CYS A 30 4.664 4.165 -22.052 1.00 0.00 C ATOM 393 C CYS A 30 5.075 5.534 -22.583 1.00 0.00 C ATOM 394 O CYS A 30 5.499 5.664 -23.731 1.00 0.00 O ATOM 395 CB CYS A 30 3.582 3.560 -22.950 1.00 0.00 C ATOM 396 SG CYS A 30 1.883 4.016 -22.477 1.00 0.00 S ATOM 0 H CYS A 30 3.379 4.878 -20.556 1.00 0.00 H new ATOM 0 HA CYS A 30 5.539 3.515 -22.060 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.759 3.877 -23.978 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.674 2.474 -22.931 1.00 0.00 H new ATOM 0 HG CYS A 30 1.567 3.419 -21.366 1.00 0.00 H new ATOM 401 N ASN A 31 4.947 6.554 -21.740 1.00 0.00 N ATOM 402 CA ASN A 31 5.305 7.914 -22.125 1.00 0.00 C ATOM 403 C ASN A 31 4.721 8.265 -23.490 1.00 0.00 C ATOM 404 O ASN A 31 5.436 8.709 -24.388 1.00 0.00 O ATOM 405 CB ASN A 31 6.826 8.075 -22.151 1.00 0.00 C ATOM 406 CG ASN A 31 7.517 6.920 -22.850 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.901 5.937 -22.216 1.00 0.00 O ATOM 408 ND2 ASN A 31 7.680 7.035 -24.163 1.00 0.00 N ATOM 0 H ASN A 31 4.598 6.464 -20.786 1.00 0.00 H new ATOM 0 HA ASN A 31 4.887 8.597 -21.385 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.082 9.007 -22.655 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.198 8.153 -21.129 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.139 6.290 -24.687 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.346 7.868 -24.647 1.00 0.00 H new ATOM 415 N VAL A 32 3.415 8.062 -23.639 1.00 0.00 N ATOM 416 CA VAL A 32 2.734 8.358 -24.894 1.00 0.00 C ATOM 417 C VAL A 32 1.426 9.101 -24.647 1.00 0.00 C ATOM 418 O VAL A 32 0.353 8.498 -24.621 1.00 0.00 O ATOM 419 CB VAL A 32 2.440 7.073 -25.690 1.00 0.00 C ATOM 420 CG1 VAL A 32 3.716 6.528 -26.314 1.00 0.00 C ATOM 421 CG2 VAL A 32 1.787 6.030 -24.795 1.00 0.00 C ATOM 0 H VAL A 32 2.808 7.694 -22.906 1.00 0.00 H new ATOM 0 HA VAL A 32 3.404 8.991 -25.476 1.00 0.00 H new ATOM 0 HB VAL A 32 1.745 7.315 -26.494 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.489 5.620 -26.873 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.138 7.273 -26.989 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.437 6.300 -25.529 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.586 5.128 -25.374 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.456 5.789 -23.969 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.850 6.424 -24.401 1.00 0.00 H new ATOM 431 N VAL A 33 1.522 10.414 -24.466 1.00 0.00 N ATOM 432 CA VAL A 33 0.345 11.240 -24.223 1.00 0.00 C ATOM 433 C VAL A 33 0.499 12.617 -24.858 1.00 0.00 C ATOM 434 O VAL A 33 1.480 12.887 -25.553 1.00 0.00 O ATOM 435 CB VAL A 33 0.081 11.410 -22.715 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.874 10.336 -22.216 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.388 11.376 -21.938 1.00 0.00 C ATOM 0 H VAL A 33 2.402 10.929 -24.483 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.502 10.726 -24.678 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.386 12.381 -22.553 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.049 10.472 -21.149 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.820 10.413 -22.751 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.438 9.352 -22.390 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.182 11.498 -20.875 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.886 10.421 -22.104 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.034 12.186 -22.277 1.00 0.00 H new ATOM 447 N THR A 34 -0.476 13.488 -24.616 1.00 0.00 N ATOM 448 CA THR A 34 -0.449 14.838 -25.165 1.00 0.00 C ATOM 449 C THR A 34 0.932 15.466 -25.013 1.00 0.00 C ATOM 450 O THR A 34 1.784 14.948 -24.291 1.00 0.00 O ATOM 451 CB THR A 34 -1.490 15.743 -24.480 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.754 15.073 -24.412 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.646 17.055 -25.234 1.00 0.00 C ATOM 0 H THR A 34 -1.294 13.282 -24.043 1.00 0.00 H new ATOM 0 HA THR A 34 -0.692 14.754 -26.224 1.00 0.00 H new ATOM 0 HB THR A 34 -1.141 15.961 -23.471 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.409 15.655 -23.974 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.386 17.678 -24.732 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.689 17.577 -25.258 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.974 16.852 -26.253 1.00 0.00 H new ATOM 461 N ARG A 35 1.146 16.584 -25.698 1.00 0.00 N ATOM 462 CA ARG A 35 2.424 17.283 -25.640 1.00 0.00 C ATOM 463 C ARG A 35 2.657 17.875 -24.253 1.00 0.00 C ATOM 464 O ARG A 35 3.778 17.867 -23.743 1.00 0.00 O ATOM 465 CB ARG A 35 2.474 18.390 -26.695 1.00 0.00 C ATOM 466 CG ARG A 35 2.343 17.879 -28.120 1.00 0.00 C ATOM 467 CD ARG A 35 1.733 18.930 -29.035 1.00 0.00 C ATOM 468 NE ARG A 35 0.288 19.041 -28.853 1.00 0.00 N ATOM 469 CZ ARG A 35 -0.491 19.805 -29.611 1.00 0.00 C ATOM 470 NH1 ARG A 35 0.033 20.520 -30.597 1.00 0.00 N ATOM 471 NH2 ARG A 35 -1.798 19.853 -29.384 1.00 0.00 N ATOM 0 H ARG A 35 0.451 17.025 -26.300 1.00 0.00 H new ATOM 0 HA ARG A 35 3.214 16.561 -25.845 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.674 19.104 -26.499 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.415 18.931 -26.597 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.325 17.593 -28.497 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.724 16.982 -28.131 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.198 19.896 -28.839 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.949 18.677 -30.073 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.147 18.503 -28.103 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.037 20.484 -30.775 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.568 21.106 -31.177 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.205 19.303 -28.627 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.396 20.440 -29.966 1.00 0.00 H new ATOM 485 N LYS A 36 1.592 18.390 -23.649 1.00 0.00 N ATOM 486 CA LYS A 36 1.678 18.987 -22.322 1.00 0.00 C ATOM 487 C LYS A 36 1.630 17.914 -21.239 1.00 0.00 C ATOM 488 O LYS A 36 2.083 18.131 -20.114 1.00 0.00 O ATOM 489 CB LYS A 36 0.539 19.987 -22.115 1.00 0.00 C ATOM 490 CG LYS A 36 0.736 21.296 -22.860 1.00 0.00 C ATOM 491 CD LYS A 36 0.510 21.127 -24.353 1.00 0.00 C ATOM 492 CE LYS A 36 0.862 22.395 -25.117 1.00 0.00 C ATOM 493 NZ LYS A 36 0.412 22.331 -26.535 1.00 0.00 N ATOM 0 H LYS A 36 0.658 18.406 -24.058 1.00 0.00 H new ATOM 0 HA LYS A 36 2.631 19.511 -22.248 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.397 19.531 -22.439 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.439 20.196 -21.050 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.047 22.045 -22.469 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.745 21.668 -22.684 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.115 20.299 -24.722 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.532 20.867 -24.537 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.401 23.253 -24.628 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.940 22.551 -25.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.670 23.213 -27.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.871 21.527 -27.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.620 22.208 -26.566 1.00 0.00 H new ATOM 507 N THR A 37 1.079 16.755 -21.585 1.00 0.00 N ATOM 508 CA THR A 37 0.972 15.648 -20.642 1.00 0.00 C ATOM 509 C THR A 37 0.430 16.121 -19.298 1.00 0.00 C ATOM 510 O THR A 37 0.927 15.726 -18.243 1.00 0.00 O ATOM 511 CB THR A 37 2.335 14.964 -20.422 1.00 0.00 C ATOM 512 OG1 THR A 37 3.219 15.849 -19.724 1.00 0.00 O ATOM 513 CG2 THR A 37 2.958 14.559 -21.749 1.00 0.00 C ATOM 0 H THR A 37 0.700 16.558 -22.511 1.00 0.00 H new ATOM 0 HA THR A 37 0.279 14.928 -21.077 1.00 0.00 H new ATOM 0 HB THR A 37 2.174 14.066 -19.826 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.767 16.704 -19.565 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.919 14.078 -21.568 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.296 13.863 -22.265 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.106 15.445 -22.367 1.00 0.00 H new ATOM 521 N LEU A 38 -0.592 16.968 -19.343 1.00 0.00 N ATOM 522 CA LEU A 38 -1.203 17.494 -18.127 1.00 0.00 C ATOM 523 C LEU A 38 -2.645 17.014 -17.991 1.00 0.00 C ATOM 524 O LEU A 38 -3.028 16.450 -16.966 1.00 0.00 O ATOM 525 CB LEU A 38 -1.161 19.023 -18.133 1.00 0.00 C ATOM 526 CG LEU A 38 -1.083 19.697 -16.762 1.00 0.00 C ATOM 527 CD1 LEU A 38 -2.274 19.301 -15.904 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.222 19.339 -16.066 1.00 0.00 C ATOM 0 H LEU A 38 -1.015 17.305 -20.208 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.634 17.124 -17.274 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.300 19.341 -18.722 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.050 19.389 -18.646 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.110 20.777 -16.907 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.201 19.790 -14.933 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.196 19.609 -16.397 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.280 18.220 -15.766 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.261 19.827 -15.092 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.279 18.259 -15.933 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.062 19.675 -16.674 1.00 0.00 H new ATOM 540 N VAL A 39 -3.440 17.240 -19.032 1.00 0.00 N ATOM 541 CA VAL A 39 -4.838 16.828 -19.030 1.00 0.00 C ATOM 542 C VAL A 39 -5.002 15.436 -19.629 1.00 0.00 C ATOM 543 O VAL A 39 -5.901 14.687 -19.249 1.00 0.00 O ATOM 544 CB VAL A 39 -5.717 17.820 -19.816 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.657 19.203 -19.185 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.288 17.870 -21.274 1.00 0.00 C ATOM 0 H VAL A 39 -3.139 17.706 -19.888 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.162 16.813 -17.989 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.750 17.475 -19.777 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.284 19.890 -19.754 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.016 19.150 -18.157 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.628 19.561 -19.191 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.919 18.575 -21.815 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.248 18.191 -21.337 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.389 16.879 -21.717 1.00 0.00 H new ATOM 556 N GLY A 40 -4.125 15.094 -20.568 1.00 0.00 N ATOM 557 CA GLY A 40 -4.189 13.792 -21.204 1.00 0.00 C ATOM 558 C GLY A 40 -3.527 12.709 -20.376 1.00 0.00 C ATOM 559 O GLY A 40 -3.926 11.545 -20.429 1.00 0.00 O ATOM 0 H GLY A 40 -3.371 15.696 -20.899 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.232 13.526 -21.377 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.707 13.844 -22.180 1.00 0.00 H new ATOM 563 N LEU A 41 -2.511 13.090 -19.609 1.00 0.00 N ATOM 564 CA LEU A 41 -1.791 12.142 -18.766 1.00 0.00 C ATOM 565 C LEU A 41 -2.761 11.285 -17.958 1.00 0.00 C ATOM 566 O LEU A 41 -2.502 10.109 -17.702 1.00 0.00 O ATOM 567 CB LEU A 41 -0.842 12.885 -17.824 1.00 0.00 C ATOM 568 CG LEU A 41 -0.002 12.012 -16.892 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.959 11.147 -17.693 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.759 12.874 -15.895 1.00 0.00 C ATOM 0 H LEU A 41 -2.167 14.049 -19.554 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.210 11.486 -19.414 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.167 13.493 -18.426 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.430 13.571 -17.214 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.673 11.356 -16.337 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.549 10.532 -17.013 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.394 10.503 -18.366 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.624 11.785 -18.275 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.351 12.235 -15.240 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.419 13.555 -16.432 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.052 13.450 -15.298 1.00 0.00 H new ATOM 582 N LYS A 42 -3.879 11.882 -17.560 1.00 0.00 N ATOM 583 CA LYS A 42 -4.890 11.174 -16.784 1.00 0.00 C ATOM 584 C LYS A 42 -5.836 10.402 -17.699 1.00 0.00 C ATOM 585 O LYS A 42 -5.952 9.181 -17.600 1.00 0.00 O ATOM 586 CB LYS A 42 -5.686 12.160 -15.926 1.00 0.00 C ATOM 587 CG LYS A 42 -4.819 13.007 -15.010 1.00 0.00 C ATOM 588 CD LYS A 42 -5.513 14.303 -14.627 1.00 0.00 C ATOM 589 CE LYS A 42 -6.598 14.068 -13.588 1.00 0.00 C ATOM 590 NZ LYS A 42 -6.784 15.251 -12.702 1.00 0.00 N ATOM 0 H LYS A 42 -4.108 12.855 -17.762 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.381 10.463 -16.133 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.259 12.817 -16.580 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.404 11.606 -15.322 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.579 12.442 -14.109 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.875 13.232 -15.506 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.779 15.008 -14.236 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.951 14.759 -15.515 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.538 13.839 -14.090 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.340 13.199 -12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.532 15.051 -12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.894 15.455 -12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.056 16.075 -13.276 1.00 0.00 H new ATOM 604 N LYS A 43 -6.509 11.122 -18.590 1.00 0.00 N ATOM 605 CA LYS A 43 -7.443 10.505 -19.525 1.00 0.00 C ATOM 606 C LYS A 43 -6.769 9.379 -20.303 1.00 0.00 C ATOM 607 O LYS A 43 -7.439 8.554 -20.925 1.00 0.00 O ATOM 608 CB LYS A 43 -7.991 11.553 -20.496 1.00 0.00 C ATOM 609 CG LYS A 43 -9.204 12.298 -19.965 1.00 0.00 C ATOM 610 CD LYS A 43 -8.817 13.303 -18.894 1.00 0.00 C ATOM 611 CE LYS A 43 -9.691 14.547 -18.955 1.00 0.00 C ATOM 612 NZ LYS A 43 -9.592 15.356 -17.709 1.00 0.00 N ATOM 0 H LYS A 43 -6.425 12.134 -18.685 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.268 10.083 -18.951 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.204 12.272 -20.723 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.257 11.064 -21.433 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.703 12.814 -20.785 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.919 11.585 -19.555 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.907 12.841 -17.911 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.772 13.585 -19.019 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.395 15.157 -19.809 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.728 14.254 -19.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.202 16.194 -17.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.898 14.782 -16.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.607 15.657 -17.568 1.00 0.00 H new ATOM 626 N HIS A 44 -5.441 9.351 -20.263 1.00 0.00 N ATOM 627 CA HIS A 44 -4.677 8.324 -20.963 1.00 0.00 C ATOM 628 C HIS A 44 -4.349 7.161 -20.032 1.00 0.00 C ATOM 629 O HIS A 44 -4.472 5.996 -20.410 1.00 0.00 O ATOM 630 CB HIS A 44 -3.388 8.916 -21.532 1.00 0.00 C ATOM 631 CG HIS A 44 -2.393 7.883 -21.964 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.196 7.533 -23.283 1.00 0.00 N ATOM 633 CD2 HIS A 44 -1.535 7.124 -21.242 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.262 6.602 -23.354 1.00 0.00 C ATOM 635 NE2 HIS A 44 -0.844 6.336 -22.129 1.00 0.00 N ATOM 0 H HIS A 44 -4.872 10.027 -19.754 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.288 7.948 -21.783 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.634 9.550 -22.384 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.930 9.558 -20.779 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.416 7.136 -20.169 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.901 6.137 -24.260 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.125 5.656 -21.882 1.00 0.00 H new ATOM 643 N MET A 45 -3.930 7.485 -18.813 1.00 0.00 N ATOM 644 CA MET A 45 -3.585 6.467 -17.827 1.00 0.00 C ATOM 645 C MET A 45 -4.791 5.592 -17.504 1.00 0.00 C ATOM 646 O MET A 45 -4.659 4.383 -17.315 1.00 0.00 O ATOM 647 CB MET A 45 -3.058 7.122 -16.549 1.00 0.00 C ATOM 648 CG MET A 45 -4.157 7.560 -15.594 1.00 0.00 C ATOM 649 SD MET A 45 -3.530 7.961 -13.951 1.00 0.00 S ATOM 650 CE MET A 45 -2.432 9.324 -14.331 1.00 0.00 C ATOM 0 H MET A 45 -3.821 8.444 -18.484 1.00 0.00 H new ATOM 0 HA MET A 45 -2.804 5.836 -18.251 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.400 6.421 -16.036 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.454 7.989 -16.817 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.666 8.431 -16.007 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.899 6.766 -15.512 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.503 9.210 -13.772 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.214 9.329 -15.399 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.909 10.264 -14.053 1.00 0.00 H new ATOM 660 N GLU A 46 -5.967 6.211 -17.443 1.00 0.00 N ATOM 661 CA GLU A 46 -7.196 5.486 -17.141 1.00 0.00 C ATOM 662 C GLU A 46 -7.276 4.192 -17.946 1.00 0.00 C ATOM 663 O GLU A 46 -7.486 3.114 -17.390 1.00 0.00 O ATOM 664 CB GLU A 46 -8.415 6.361 -17.439 1.00 0.00 C ATOM 665 CG GLU A 46 -8.376 7.014 -18.810 1.00 0.00 C ATOM 666 CD GLU A 46 -9.456 8.065 -18.987 1.00 0.00 C ATOM 667 OE1 GLU A 46 -9.839 8.695 -17.980 1.00 0.00 O ATOM 668 OE2 GLU A 46 -9.917 8.255 -20.131 1.00 0.00 O ATOM 0 H GLU A 46 -6.094 7.211 -17.598 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.188 5.234 -16.081 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.316 5.752 -17.361 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.489 7.138 -16.678 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.399 7.473 -18.962 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.491 6.248 -19.577 1.00 0.00 H new ATOM 675 N VAL A 47 -7.107 4.307 -19.260 1.00 0.00 N ATOM 676 CA VAL A 47 -7.159 3.148 -20.142 1.00 0.00 C ATOM 677 C VAL A 47 -5.786 2.500 -20.281 1.00 0.00 C ATOM 678 O VAL A 47 -5.673 1.282 -20.421 1.00 0.00 O ATOM 679 CB VAL A 47 -7.678 3.530 -21.541 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.098 4.068 -21.455 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.752 4.546 -22.193 1.00 0.00 C ATOM 0 H VAL A 47 -6.933 5.192 -19.737 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.849 2.436 -19.688 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.692 2.634 -22.162 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.448 4.333 -22.453 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.751 3.305 -21.032 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.114 4.953 -20.818 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.134 4.805 -23.181 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.704 5.443 -21.576 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.754 4.119 -22.290 1.00 0.00 H new ATOM 691 N CYS A 48 -4.743 3.323 -20.240 1.00 0.00 N ATOM 692 CA CYS A 48 -3.376 2.832 -20.361 1.00 0.00 C ATOM 693 C CYS A 48 -3.225 1.470 -19.688 1.00 0.00 C ATOM 694 O CYS A 48 -2.917 0.475 -20.343 1.00 0.00 O ATOM 695 CB CYS A 48 -2.396 3.830 -19.740 1.00 0.00 C ATOM 696 SG CYS A 48 -0.645 3.367 -19.927 1.00 0.00 S ATOM 0 H CYS A 48 -4.819 4.333 -20.124 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.149 2.721 -21.421 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.553 4.808 -20.195 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.622 3.933 -18.679 1.00 0.00 H new ATOM 0 HG CYS A 48 0.098 4.428 -19.817 1.00 0.00 H new ATOM 701 N GLN A 49 -3.445 1.436 -18.378 1.00 0.00 N ATOM 702 CA GLN A 49 -3.334 0.198 -17.617 1.00 0.00 C ATOM 703 C GLN A 49 -4.075 -0.938 -18.314 1.00 0.00 C ATOM 704 O GLN A 49 -3.547 -2.041 -18.460 1.00 0.00 O ATOM 705 CB GLN A 49 -3.887 0.391 -16.203 1.00 0.00 C ATOM 706 CG GLN A 49 -2.945 1.147 -15.280 1.00 0.00 C ATOM 707 CD GLN A 49 -3.096 0.736 -13.829 1.00 0.00 C ATOM 708 OE1 GLN A 49 -3.697 -0.294 -13.523 1.00 0.00 O ATOM 709 NE2 GLN A 49 -2.549 1.541 -12.925 1.00 0.00 N ATOM 0 H GLN A 49 -3.701 2.252 -17.822 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.278 -0.066 -17.554 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.833 0.928 -16.262 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.101 -0.586 -15.769 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.916 0.976 -15.597 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.133 2.217 -15.372 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.060 2.385 -13.223 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.618 1.315 -11.933 1.00 0.00 H new ATOM 718 N LYS A 50 -5.301 -0.662 -18.744 1.00 0.00 N ATOM 719 CA LYS A 50 -6.115 -1.660 -19.428 1.00 0.00 C ATOM 720 C LYS A 50 -5.454 -2.104 -20.729 1.00 0.00 C ATOM 721 O LYS A 50 -5.414 -3.294 -21.042 1.00 0.00 O ATOM 722 CB LYS A 50 -7.509 -1.099 -19.717 1.00 0.00 C ATOM 723 CG LYS A 50 -8.326 -1.958 -20.667 1.00 0.00 C ATOM 724 CD LYS A 50 -8.105 -1.552 -22.115 1.00 0.00 C ATOM 725 CE LYS A 50 -9.339 -1.822 -22.963 1.00 0.00 C ATOM 726 NZ LYS A 50 -9.543 -3.278 -23.197 1.00 0.00 N ATOM 0 H LYS A 50 -5.753 0.245 -18.631 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.207 -2.527 -18.774 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.051 -0.995 -18.777 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.409 -0.099 -20.140 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.055 -3.006 -20.536 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.384 -1.869 -20.421 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.854 -0.492 -22.163 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.255 -2.100 -22.522 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.217 -1.407 -22.469 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.241 -1.311 -23.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.393 -3.420 -23.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.716 -3.669 -23.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.662 -3.763 -22.285 1.00 0.00 H new ATOM 740 N LEU A 51 -4.936 -1.140 -21.482 1.00 0.00 N ATOM 741 CA LEU A 51 -4.274 -1.432 -22.749 1.00 0.00 C ATOM 742 C LEU A 51 -2.997 -2.235 -22.524 1.00 0.00 C ATOM 743 O LEU A 51 -2.877 -3.369 -22.988 1.00 0.00 O ATOM 744 CB LEU A 51 -3.949 -0.132 -23.488 1.00 0.00 C ATOM 745 CG LEU A 51 -5.119 0.542 -24.206 1.00 0.00 C ATOM 746 CD1 LEU A 51 -4.735 1.944 -24.652 1.00 0.00 C ATOM 747 CD2 LEU A 51 -5.568 -0.294 -25.396 1.00 0.00 C ATOM 0 H LEU A 51 -4.961 -0.150 -21.238 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.954 -2.029 -23.357 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.532 0.576 -22.771 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.170 -0.339 -24.221 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.952 0.620 -23.508 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.580 2.408 -25.161 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.463 2.541 -23.782 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.886 1.889 -25.334 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.401 0.201 -25.895 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.740 -0.405 -26.096 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.885 -1.278 -25.051 1.00 0.00 H new ATOM 759 N GLN A 52 -2.049 -1.641 -21.808 1.00 0.00 N ATOM 760 CA GLN A 52 -0.781 -2.302 -21.521 1.00 0.00 C ATOM 761 C GLN A 52 -0.975 -3.808 -21.369 1.00 0.00 C ATOM 762 O GLN A 52 -0.199 -4.600 -21.903 1.00 0.00 O ATOM 763 CB GLN A 52 -0.158 -1.726 -20.249 1.00 0.00 C ATOM 764 CG GLN A 52 1.358 -1.829 -20.214 1.00 0.00 C ATOM 765 CD GLN A 52 2.021 -1.076 -21.351 1.00 0.00 C ATOM 766 OE1 GLN A 52 1.355 -0.396 -22.131 1.00 0.00 O ATOM 767 NE2 GLN A 52 3.340 -1.195 -21.450 1.00 0.00 N ATOM 0 H GLN A 52 -2.134 -0.703 -21.416 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.108 -2.123 -22.360 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.445 -0.679 -20.156 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.569 -2.247 -19.385 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.723 -1.439 -19.264 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.648 -2.879 -20.261 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.852 -1.770 -20.781 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.841 -0.712 -22.195 1.00 0.00 H new ATOM 776 N ASP A 53 -2.016 -4.194 -20.639 1.00 0.00 N ATOM 777 CA ASP A 53 -2.312 -5.605 -20.418 1.00 0.00 C ATOM 778 C ASP A 53 -2.585 -6.317 -21.740 1.00 0.00 C ATOM 779 O ASP A 53 -1.961 -7.330 -22.050 1.00 0.00 O ATOM 780 CB ASP A 53 -3.516 -5.755 -19.486 1.00 0.00 C ATOM 781 CG ASP A 53 -3.759 -7.196 -19.082 1.00 0.00 C ATOM 782 OD1 ASP A 53 -3.163 -7.639 -18.077 1.00 0.00 O ATOM 783 OD2 ASP A 53 -4.545 -7.880 -19.769 1.00 0.00 O ATOM 0 H ASP A 53 -2.668 -3.551 -20.191 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.441 -6.065 -19.951 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.357 -5.152 -18.592 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.405 -5.364 -19.980 1.00 0.00 H new ATOM 788 N ALA A 54 -3.523 -5.779 -22.513 1.00 0.00 N ATOM 789 CA ALA A 54 -3.877 -6.362 -23.801 1.00 0.00 C ATOM 790 C ALA A 54 -2.632 -6.695 -24.615 1.00 0.00 C ATOM 791 O ALA A 54 -2.402 -7.851 -24.972 1.00 0.00 O ATOM 792 CB ALA A 54 -4.780 -5.415 -24.578 1.00 0.00 C ATOM 0 H ALA A 54 -4.051 -4.941 -22.270 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.416 -7.291 -23.615 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.037 -5.863 -25.538 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.691 -5.231 -24.008 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.260 -4.472 -24.745 1.00 0.00 H new ATOM 798 N LEU A 55 -1.830 -5.676 -24.905 1.00 0.00 N ATOM 799 CA LEU A 55 -0.607 -5.861 -25.678 1.00 0.00 C ATOM 800 C LEU A 55 0.205 -7.034 -25.139 1.00 0.00 C ATOM 801 O LEU A 55 0.720 -7.850 -25.904 1.00 0.00 O ATOM 802 CB LEU A 55 0.236 -4.585 -25.648 1.00 0.00 C ATOM 803 CG LEU A 55 -0.206 -3.466 -26.591 1.00 0.00 C ATOM 804 CD1 LEU A 55 -0.089 -3.911 -28.040 1.00 0.00 C ATOM 805 CD2 LEU A 55 -1.632 -3.035 -26.277 1.00 0.00 C ATOM 0 H LEU A 55 -2.005 -4.713 -24.616 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.887 -6.080 -26.709 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.234 -4.196 -24.630 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.266 -4.848 -25.887 1.00 0.00 H new ATOM 0 HG LEU A 55 0.452 -2.610 -26.441 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.408 -3.101 -28.696 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.947 -4.169 -28.259 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.722 -4.783 -28.205 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.929 -2.238 -26.958 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.304 -3.885 -26.398 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.685 -2.673 -25.250 1.00 0.00 H new ATOM 817 N LYS A 56 0.316 -7.113 -23.818 1.00 0.00 N ATOM 818 CA LYS A 56 1.062 -8.187 -23.174 1.00 0.00 C ATOM 819 C LYS A 56 0.502 -9.550 -23.568 1.00 0.00 C ATOM 820 O LYS A 56 -0.704 -9.786 -23.481 1.00 0.00 O ATOM 821 CB LYS A 56 1.020 -8.026 -21.653 1.00 0.00 C ATOM 822 CG LYS A 56 1.855 -9.054 -20.909 1.00 0.00 C ATOM 823 CD LYS A 56 2.296 -8.536 -19.551 1.00 0.00 C ATOM 824 CE LYS A 56 3.543 -7.672 -19.661 1.00 0.00 C ATOM 825 NZ LYS A 56 3.721 -6.799 -18.468 1.00 0.00 N ATOM 0 H LYS A 56 -0.102 -6.444 -23.171 1.00 0.00 H new ATOM 0 HA LYS A 56 2.097 -8.128 -23.510 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.371 -7.028 -21.392 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.014 -8.098 -21.317 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.277 -9.969 -20.780 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.732 -9.311 -21.504 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.489 -7.957 -19.102 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.493 -9.377 -18.886 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.418 -8.311 -19.777 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.479 -7.054 -20.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.582 -6.226 -18.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.898 -6.171 -18.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.808 -7.389 -17.616 1.00 0.00 H new ATOM 839 N CYS A 57 1.384 -10.446 -24.000 1.00 0.00 N ATOM 840 CA CYS A 57 0.978 -11.786 -24.406 1.00 0.00 C ATOM 841 C CYS A 57 0.628 -12.639 -23.190 1.00 0.00 C ATOM 842 O CYS A 57 0.712 -12.179 -22.052 1.00 0.00 O ATOM 843 CB CYS A 57 2.092 -12.457 -25.211 1.00 0.00 C ATOM 844 SG CYS A 57 1.498 -13.650 -26.452 1.00 0.00 S ATOM 0 H CYS A 57 2.385 -10.268 -24.078 1.00 0.00 H new ATOM 0 HA CYS A 57 0.091 -11.696 -25.033 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.677 -11.687 -25.714 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.765 -12.969 -24.523 1.00 0.00 H new ATOM 0 HG CYS A 57 2.347 -13.713 -27.435 1.00 0.00 H new ATOM 849 N GLN A 58 0.236 -13.884 -23.442 1.00 0.00 N ATOM 850 CA GLN A 58 -0.127 -14.802 -22.368 1.00 0.00 C ATOM 851 C GLN A 58 0.739 -16.057 -22.409 1.00 0.00 C ATOM 852 O GLN A 58 1.301 -16.469 -21.394 1.00 0.00 O ATOM 853 CB GLN A 58 -1.605 -15.183 -22.473 1.00 0.00 C ATOM 854 CG GLN A 58 -2.540 -14.176 -21.825 1.00 0.00 C ATOM 855 CD GLN A 58 -2.947 -13.064 -22.771 1.00 0.00 C ATOM 856 OE1 GLN A 58 -2.129 -12.557 -23.539 1.00 0.00 O ATOM 857 NE2 GLN A 58 -4.217 -12.678 -22.722 1.00 0.00 N ATOM 0 H GLN A 58 0.162 -14.280 -24.379 1.00 0.00 H new ATOM 0 HA GLN A 58 0.044 -14.296 -21.418 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.871 -15.288 -23.525 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.754 -16.157 -22.007 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.433 -14.691 -21.470 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.053 -13.744 -20.951 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.861 -13.126 -22.070 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.548 -11.934 -23.336 1.00 0.00 H new ATOM 866 N HIS A 59 0.841 -16.661 -23.589 1.00 0.00 N ATOM 867 CA HIS A 59 1.639 -17.870 -23.762 1.00 0.00 C ATOM 868 C HIS A 59 3.098 -17.615 -23.397 1.00 0.00 C ATOM 869 O HIS A 59 3.716 -18.400 -22.678 1.00 0.00 O ATOM 870 CB HIS A 59 1.541 -18.369 -25.204 1.00 0.00 C ATOM 871 CG HIS A 59 0.199 -18.936 -25.551 1.00 0.00 C ATOM 872 ND1 HIS A 59 -0.373 -19.989 -24.869 1.00 0.00 N ATOM 873 CD2 HIS A 59 -0.686 -18.590 -26.515 1.00 0.00 C ATOM 874 CE1 HIS A 59 -1.551 -20.267 -25.399 1.00 0.00 C ATOM 875 NE2 HIS A 59 -1.765 -19.431 -26.400 1.00 0.00 N ATOM 0 H HIS A 59 0.382 -16.333 -24.439 1.00 0.00 H new ATOM 0 HA HIS A 59 1.244 -18.635 -23.093 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.764 -17.545 -25.881 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.302 -19.132 -25.369 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.566 -17.799 -27.240 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.224 -21.045 -25.070 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.596 -19.413 -26.991 1.00 0.00 H new ATOM 883 N CYS A 60 3.644 -16.512 -23.900 1.00 0.00 N ATOM 884 CA CYS A 60 5.031 -16.153 -23.629 1.00 0.00 C ATOM 885 C CYS A 60 5.119 -15.144 -22.487 1.00 0.00 C ATOM 886 O CYS A 60 6.160 -15.006 -21.846 1.00 0.00 O ATOM 887 CB CYS A 60 5.685 -15.576 -24.885 1.00 0.00 C ATOM 888 SG CYS A 60 5.061 -13.931 -25.360 1.00 0.00 S ATOM 0 H CYS A 60 3.147 -15.852 -24.497 1.00 0.00 H new ATOM 0 HA CYS A 60 5.563 -17.057 -23.333 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.761 -15.512 -24.725 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.527 -16.266 -25.714 1.00 0.00 H new ATOM 0 HG CYS A 60 3.846 -14.041 -25.810 1.00 0.00 H new ATOM 893 N ARG A 61 4.018 -14.442 -22.239 1.00 0.00 N ATOM 894 CA ARG A 61 3.970 -13.446 -21.176 1.00 0.00 C ATOM 895 C ARG A 61 5.000 -12.345 -21.416 1.00 0.00 C ATOM 896 O ARG A 61 5.830 -12.058 -20.553 1.00 0.00 O ATOM 897 CB ARG A 61 4.219 -14.105 -19.818 1.00 0.00 C ATOM 898 CG ARG A 61 3.189 -15.162 -19.456 1.00 0.00 C ATOM 899 CD ARG A 61 3.666 -16.557 -19.830 1.00 0.00 C ATOM 900 NE ARG A 61 4.521 -17.138 -18.798 1.00 0.00 N ATOM 901 CZ ARG A 61 4.055 -17.783 -17.735 1.00 0.00 C ATOM 902 NH1 ARG A 61 2.748 -17.930 -17.565 1.00 0.00 N ATOM 903 NH2 ARG A 61 4.896 -18.284 -16.840 1.00 0.00 N ATOM 0 H ARG A 61 3.147 -14.545 -22.760 1.00 0.00 H new ATOM 0 HA ARG A 61 2.977 -12.997 -21.177 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.209 -14.561 -19.821 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.224 -13.336 -19.046 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.985 -15.121 -18.386 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.251 -14.948 -19.968 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.804 -17.204 -19.993 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.213 -16.513 -20.772 1.00 0.00 H new ATOM 0 HE ARG A 61 5.531 -17.043 -18.899 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.098 -17.547 -18.252 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.393 -18.426 -16.748 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.902 -18.174 -16.968 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.537 -18.779 -16.024 1.00 0.00 H new ATOM 917 N LYS A 62 4.940 -11.733 -22.594 1.00 0.00 N ATOM 918 CA LYS A 62 5.865 -10.664 -22.948 1.00 0.00 C ATOM 919 C LYS A 62 5.110 -9.402 -23.353 1.00 0.00 C ATOM 920 O LYS A 62 4.010 -9.476 -23.900 1.00 0.00 O ATOM 921 CB LYS A 62 6.780 -11.111 -24.090 1.00 0.00 C ATOM 922 CG LYS A 62 7.922 -12.006 -23.640 1.00 0.00 C ATOM 923 CD LYS A 62 8.497 -12.802 -24.799 1.00 0.00 C ATOM 924 CE LYS A 62 9.206 -14.058 -24.315 1.00 0.00 C ATOM 925 NZ LYS A 62 9.740 -14.865 -25.447 1.00 0.00 N ATOM 0 H LYS A 62 4.260 -11.960 -23.320 1.00 0.00 H new ATOM 0 HA LYS A 62 6.471 -10.438 -22.071 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.186 -11.641 -24.834 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.192 -10.229 -24.580 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.707 -11.398 -23.191 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.567 -12.690 -22.869 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.696 -13.077 -25.486 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.197 -12.180 -25.357 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.024 -13.780 -23.650 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.513 -14.664 -23.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.216 -15.712 -25.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.957 -15.152 -26.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.421 -14.295 -25.989 1.00 0.00 H new ATOM 939 N GLN A 63 5.708 -8.247 -23.081 1.00 0.00 N ATOM 940 CA GLN A 63 5.090 -6.969 -23.418 1.00 0.00 C ATOM 941 C GLN A 63 5.492 -6.524 -24.820 1.00 0.00 C ATOM 942 O GLN A 63 6.672 -6.537 -25.173 1.00 0.00 O ATOM 943 CB GLN A 63 5.488 -5.902 -22.397 1.00 0.00 C ATOM 944 CG GLN A 63 4.861 -4.543 -22.663 1.00 0.00 C ATOM 945 CD GLN A 63 3.346 -4.594 -22.685 1.00 0.00 C ATOM 946 OE1 GLN A 63 2.731 -5.424 -22.016 1.00 0.00 O ATOM 947 NE2 GLN A 63 2.734 -3.703 -23.458 1.00 0.00 N ATOM 0 H GLN A 63 6.619 -8.169 -22.629 1.00 0.00 H new ATOM 0 HA GLN A 63 4.008 -7.099 -23.394 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.199 -6.238 -21.401 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.573 -5.799 -22.396 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.186 -3.841 -21.896 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.222 -4.161 -23.618 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.283 -3.032 -23.996 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.716 -3.690 -23.513 1.00 0.00 H new ATOM 956 N PHE A 64 4.504 -6.130 -25.616 1.00 0.00 N ATOM 957 CA PHE A 64 4.754 -5.681 -26.981 1.00 0.00 C ATOM 958 C PHE A 64 4.262 -4.251 -27.182 1.00 0.00 C ATOM 959 O PHE A 64 3.066 -3.973 -27.082 1.00 0.00 O ATOM 960 CB PHE A 64 4.068 -6.614 -27.981 1.00 0.00 C ATOM 961 CG PHE A 64 4.789 -7.916 -28.178 1.00 0.00 C ATOM 962 CD1 PHE A 64 4.774 -8.889 -27.191 1.00 0.00 C ATOM 963 CD2 PHE A 64 5.483 -8.168 -29.351 1.00 0.00 C ATOM 964 CE1 PHE A 64 5.437 -10.088 -27.370 1.00 0.00 C ATOM 965 CE2 PHE A 64 6.147 -9.366 -29.535 1.00 0.00 C ATOM 966 CZ PHE A 64 6.125 -10.327 -28.543 1.00 0.00 C ATOM 0 H PHE A 64 3.522 -6.112 -25.340 1.00 0.00 H new ATOM 0 HA PHE A 64 5.830 -5.704 -27.153 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.054 -6.818 -27.638 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.984 -6.106 -28.941 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.238 -8.708 -26.271 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.505 -7.420 -30.130 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.417 -10.838 -26.593 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.683 -9.551 -30.454 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.645 -11.263 -28.685 1.00 0.00 H new ATOM 976 N LYS A 65 5.192 -3.346 -27.467 1.00 0.00 N ATOM 977 CA LYS A 65 4.856 -1.944 -27.683 1.00 0.00 C ATOM 978 C LYS A 65 4.384 -1.712 -29.115 1.00 0.00 C ATOM 979 O LYS A 65 4.697 -0.689 -29.724 1.00 0.00 O ATOM 980 CB LYS A 65 6.065 -1.055 -27.383 1.00 0.00 C ATOM 981 CG LYS A 65 6.441 -1.016 -25.912 1.00 0.00 C ATOM 982 CD LYS A 65 5.397 -0.280 -25.089 1.00 0.00 C ATOM 983 CE LYS A 65 5.985 0.251 -23.790 1.00 0.00 C ATOM 984 NZ LYS A 65 6.170 -0.829 -22.783 1.00 0.00 N ATOM 0 H LYS A 65 6.186 -3.559 -27.554 1.00 0.00 H new ATOM 0 HA LYS A 65 4.044 -1.683 -27.004 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.919 -1.412 -27.958 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.853 -0.041 -27.722 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.551 -2.033 -25.536 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.408 -0.527 -25.796 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.990 0.547 -25.671 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.568 -0.951 -24.867 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.945 0.726 -23.993 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.329 1.020 -23.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.039 -0.439 -21.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.472 -1.582 -22.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.129 -1.222 -22.868 1.00 0.00 H new ATOM 998 N SER A 66 3.630 -2.668 -29.647 1.00 0.00 N ATOM 999 CA SER A 66 3.117 -2.569 -31.009 1.00 0.00 C ATOM 1000 C SER A 66 2.015 -3.596 -31.250 1.00 0.00 C ATOM 1001 O SER A 66 2.215 -4.796 -31.062 1.00 0.00 O ATOM 1002 CB SER A 66 4.249 -2.772 -32.018 1.00 0.00 C ATOM 1003 OG SER A 66 4.691 -4.118 -32.025 1.00 0.00 O ATOM 0 H SER A 66 3.360 -3.520 -29.156 1.00 0.00 H new ATOM 0 HA SER A 66 2.696 -1.572 -31.142 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.906 -2.493 -33.015 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.082 -2.114 -31.772 1.00 0.00 H new ATOM 0 HG SER A 66 3.984 -4.696 -31.670 1.00 0.00 H new ATOM 1009 N LYS A 67 0.849 -3.115 -31.669 1.00 0.00 N ATOM 1010 CA LYS A 67 -0.287 -3.988 -31.938 1.00 0.00 C ATOM 1011 C LYS A 67 0.018 -4.936 -33.094 1.00 0.00 C ATOM 1012 O LYS A 67 -0.174 -6.147 -32.982 1.00 0.00 O ATOM 1013 CB LYS A 67 -1.531 -3.157 -32.262 1.00 0.00 C ATOM 1014 CG LYS A 67 -2.711 -3.987 -32.735 1.00 0.00 C ATOM 1015 CD LYS A 67 -4.032 -3.296 -32.440 1.00 0.00 C ATOM 1016 CE LYS A 67 -5.149 -4.304 -32.213 1.00 0.00 C ATOM 1017 NZ LYS A 67 -6.390 -3.652 -31.711 1.00 0.00 N ATOM 0 H LYS A 67 0.666 -2.124 -31.830 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.477 -4.581 -31.043 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.824 -2.597 -31.374 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.280 -2.427 -33.031 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.625 -4.167 -33.807 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.691 -4.961 -32.246 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.925 -2.665 -31.558 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.295 -2.641 -33.271 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.364 -4.824 -33.146 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.819 -5.057 -31.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.127 -4.372 -31.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.191 -3.177 -30.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.719 -2.952 -32.406 1.00 0.00 H new ATOM 1031 N ALA A 68 0.494 -4.378 -34.201 1.00 0.00 N ATOM 1032 CA ALA A 68 0.828 -5.175 -35.375 1.00 0.00 C ATOM 1033 C ALA A 68 1.865 -6.241 -35.038 1.00 0.00 C ATOM 1034 O ALA A 68 1.783 -7.373 -35.512 1.00 0.00 O ATOM 1035 CB ALA A 68 1.335 -4.278 -36.495 1.00 0.00 C ATOM 0 H ALA A 68 0.657 -3.377 -34.310 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.078 -5.680 -35.711 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.581 -4.886 -37.365 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.562 -3.558 -36.762 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.226 -3.747 -36.161 1.00 0.00 H new ATOM 1041 N GLY A 69 2.843 -5.870 -34.216 1.00 0.00 N ATOM 1042 CA GLY A 69 3.883 -6.806 -33.830 1.00 0.00 C ATOM 1043 C GLY A 69 3.337 -7.996 -33.066 1.00 0.00 C ATOM 1044 O GLY A 69 3.721 -9.137 -33.323 1.00 0.00 O ATOM 0 H GLY A 69 2.933 -4.938 -33.811 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.401 -7.158 -34.722 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.621 -6.291 -33.215 1.00 0.00 H new ATOM 1048 N LEU A 70 2.442 -7.730 -32.121 1.00 0.00 N ATOM 1049 CA LEU A 70 1.843 -8.788 -31.315 1.00 0.00 C ATOM 1050 C LEU A 70 1.120 -9.801 -32.196 1.00 0.00 C ATOM 1051 O LEU A 70 1.178 -11.005 -31.949 1.00 0.00 O ATOM 1052 CB LEU A 70 0.868 -8.191 -30.298 1.00 0.00 C ATOM 1053 CG LEU A 70 0.125 -9.193 -29.413 1.00 0.00 C ATOM 1054 CD1 LEU A 70 1.066 -9.793 -28.380 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -1.062 -8.526 -28.734 1.00 0.00 C ATOM 0 H LEU A 70 2.115 -6.791 -31.894 1.00 0.00 H new ATOM 0 HA LEU A 70 2.643 -9.303 -30.783 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.420 -7.507 -29.654 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.131 -7.596 -30.837 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.249 -9.999 -30.044 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.520 -10.503 -27.759 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.883 -10.307 -28.887 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.471 -8.999 -27.752 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.579 -9.253 -28.108 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.711 -7.700 -28.116 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.748 -8.146 -29.491 1.00 0.00 H new ATOM 1067 N ASN A 71 0.441 -9.305 -33.225 1.00 0.00 N ATOM 1068 CA ASN A 71 -0.292 -10.168 -34.144 1.00 0.00 C ATOM 1069 C ASN A 71 0.655 -11.122 -34.867 1.00 0.00 C ATOM 1070 O ASN A 71 0.490 -12.340 -34.807 1.00 0.00 O ATOM 1071 CB ASN A 71 -1.061 -9.325 -35.163 1.00 0.00 C ATOM 1072 CG ASN A 71 -1.985 -8.321 -34.503 1.00 0.00 C ATOM 1073 OD1 ASN A 71 -2.222 -8.378 -33.296 1.00 0.00 O ATOM 1074 ND2 ASN A 71 -2.513 -7.394 -35.294 1.00 0.00 N ATOM 0 H ASN A 71 0.383 -8.310 -33.443 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.000 -10.759 -33.563 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.353 -8.798 -35.802 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.644 -9.982 -35.808 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.143 -6.691 -34.907 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.289 -7.385 -36.289 1.00 0.00 H new ATOM 1081 N TYR A 72 1.646 -10.558 -35.550 1.00 0.00 N ATOM 1082 CA TYR A 72 2.618 -11.358 -36.286 1.00 0.00 C ATOM 1083 C TYR A 72 3.413 -12.253 -35.341 1.00 0.00 C ATOM 1084 O TYR A 72 3.825 -13.354 -35.710 1.00 0.00 O ATOM 1085 CB TYR A 72 3.569 -10.450 -37.068 1.00 0.00 C ATOM 1086 CG TYR A 72 4.493 -11.200 -37.999 1.00 0.00 C ATOM 1087 CD1 TYR A 72 5.562 -11.938 -37.503 1.00 0.00 C ATOM 1088 CD2 TYR A 72 4.300 -11.171 -39.375 1.00 0.00 C ATOM 1089 CE1 TYR A 72 6.410 -12.624 -38.351 1.00 0.00 C ATOM 1090 CE2 TYR A 72 5.142 -11.856 -40.229 1.00 0.00 C ATOM 1091 CZ TYR A 72 6.195 -12.581 -39.713 1.00 0.00 C ATOM 1092 OH TYR A 72 7.037 -13.263 -40.561 1.00 0.00 O ATOM 0 H TYR A 72 1.797 -9.551 -35.609 1.00 0.00 H new ATOM 0 HA TYR A 72 2.074 -11.992 -36.986 1.00 0.00 H new ATOM 0 HB2 TYR A 72 2.983 -9.737 -37.648 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.167 -9.872 -36.364 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.732 -11.976 -36.437 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.477 -10.603 -39.784 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.237 -13.191 -37.950 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.976 -11.824 -41.296 1.00 0.00 H new ATOM 0 HH TYR A 72 6.746 -13.130 -41.487 1.00 0.00 H new ATOM 1102 N HIS A 73 3.627 -11.773 -34.120 1.00 0.00 N ATOM 1103 CA HIS A 73 4.372 -12.530 -33.121 1.00 0.00 C ATOM 1104 C HIS A 73 3.565 -13.731 -32.635 1.00 0.00 C ATOM 1105 O HIS A 73 4.061 -14.858 -32.616 1.00 0.00 O ATOM 1106 CB HIS A 73 4.735 -11.633 -31.937 1.00 0.00 C ATOM 1107 CG HIS A 73 4.717 -12.344 -30.619 1.00 0.00 C ATOM 1108 ND1 HIS A 73 5.835 -12.932 -30.066 1.00 0.00 N ATOM 1109 CD2 HIS A 73 3.709 -12.557 -29.742 1.00 0.00 C ATOM 1110 CE1 HIS A 73 5.514 -13.479 -28.907 1.00 0.00 C ATOM 1111 NE2 HIS A 73 4.230 -13.265 -28.687 1.00 0.00 N ATOM 0 H HIS A 73 3.295 -10.864 -33.799 1.00 0.00 H new ATOM 0 HA HIS A 73 5.288 -12.894 -33.586 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.728 -11.213 -32.101 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.038 -10.796 -31.899 1.00 0.00 H new ATOM 0 HD1 HIS A 73 6.764 -12.943 -30.486 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.685 -12.231 -29.851 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.187 -14.011 -28.251 1.00 0.00 H new ATOM 1119 N THR A 74 2.320 -13.482 -32.243 1.00 0.00 N ATOM 1120 CA THR A 74 1.445 -14.541 -31.756 1.00 0.00 C ATOM 1121 C THR A 74 1.149 -15.557 -32.853 1.00 0.00 C ATOM 1122 O THR A 74 1.291 -16.762 -32.651 1.00 0.00 O ATOM 1123 CB THR A 74 0.116 -13.973 -31.226 1.00 0.00 C ATOM 1124 OG1 THR A 74 0.363 -13.100 -30.118 1.00 0.00 O ATOM 1125 CG2 THR A 74 -0.819 -15.093 -30.797 1.00 0.00 C ATOM 0 H THR A 74 1.894 -12.555 -32.253 1.00 0.00 H new ATOM 0 HA THR A 74 1.971 -15.035 -30.939 1.00 0.00 H new ATOM 0 HB THR A 74 -0.360 -13.412 -32.031 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.681 -12.234 -30.448 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.751 -14.667 -30.426 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.029 -15.738 -31.650 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.348 -15.678 -30.007 1.00 0.00 H new ATOM 1133 N MET A 75 0.737 -15.062 -34.016 1.00 0.00 N ATOM 1134 CA MET A 75 0.422 -15.928 -35.146 1.00 0.00 C ATOM 1135 C MET A 75 1.613 -16.813 -35.502 1.00 0.00 C ATOM 1136 O MET A 75 1.452 -17.994 -35.808 1.00 0.00 O ATOM 1137 CB MET A 75 0.014 -15.091 -36.360 1.00 0.00 C ATOM 1138 CG MET A 75 1.131 -14.209 -36.894 1.00 0.00 C ATOM 1139 SD MET A 75 2.221 -15.083 -38.034 1.00 0.00 S ATOM 1140 CE MET A 75 2.103 -14.037 -39.483 1.00 0.00 C ATOM 0 H MET A 75 0.614 -14.066 -34.200 1.00 0.00 H new ATOM 0 HA MET A 75 -0.412 -16.569 -34.858 1.00 0.00 H new ATOM 0 HB2 MET A 75 -0.322 -15.758 -37.154 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.835 -14.464 -36.089 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.697 -13.347 -37.401 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.717 -13.826 -36.059 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.984 -14.180 -40.108 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.210 -14.300 -40.050 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.043 -12.993 -39.174 1.00 0.00 H new ATOM 1150 N ALA A 76 2.808 -16.233 -35.459 1.00 0.00 N ATOM 1151 CA ALA A 76 4.026 -16.969 -35.775 1.00 0.00 C ATOM 1152 C ALA A 76 4.415 -17.902 -34.633 1.00 0.00 C ATOM 1153 O ALA A 76 4.454 -19.120 -34.802 1.00 0.00 O ATOM 1154 CB ALA A 76 5.162 -16.004 -36.082 1.00 0.00 C ATOM 0 H ALA A 76 2.959 -15.256 -35.208 1.00 0.00 H new ATOM 0 HA ALA A 76 3.834 -17.579 -36.658 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.065 -16.568 -36.316 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.891 -15.382 -36.935 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.345 -15.370 -35.215 1.00 0.00 H new ATOM 1160 N GLU A 77 4.704 -17.321 -33.473 1.00 0.00 N ATOM 1161 CA GLU A 77 5.092 -18.102 -32.304 1.00 0.00 C ATOM 1162 C GLU A 77 3.947 -19.000 -31.845 1.00 0.00 C ATOM 1163 O GLU A 77 4.015 -20.224 -31.966 1.00 0.00 O ATOM 1164 CB GLU A 77 5.517 -17.176 -31.163 1.00 0.00 C ATOM 1165 CG GLU A 77 6.967 -16.731 -31.248 1.00 0.00 C ATOM 1166 CD GLU A 77 7.911 -17.876 -31.561 1.00 0.00 C ATOM 1167 OE1 GLU A 77 8.154 -18.133 -32.759 1.00 0.00 O ATOM 1168 OE2 GLU A 77 8.406 -18.515 -30.609 1.00 0.00 O ATOM 0 H GLU A 77 4.677 -16.313 -33.318 1.00 0.00 H new ATOM 0 HA GLU A 77 5.936 -18.733 -32.584 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.875 -16.295 -31.163 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.358 -17.687 -30.213 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.064 -15.965 -32.017 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.259 -16.273 -30.303 1.00 0.00 H new ATOM 1175 N HIS A 78 2.894 -18.384 -31.317 1.00 0.00 N ATOM 1176 CA HIS A 78 1.733 -19.127 -30.840 1.00 0.00 C ATOM 1177 C HIS A 78 0.674 -19.241 -31.932 1.00 0.00 C ATOM 1178 O HIS A 78 -0.342 -18.547 -31.901 1.00 0.00 O ATOM 1179 CB HIS A 78 1.138 -18.447 -29.606 1.00 0.00 C ATOM 1180 CG HIS A 78 2.161 -17.781 -28.738 1.00 0.00 C ATOM 1181 ND1 HIS A 78 3.377 -18.354 -28.432 1.00 0.00 N ATOM 1182 CD2 HIS A 78 2.143 -16.582 -28.109 1.00 0.00 C ATOM 1183 CE1 HIS A 78 4.063 -17.538 -27.652 1.00 0.00 C ATOM 1184 NE2 HIS A 78 3.337 -16.455 -27.442 1.00 0.00 N ATOM 0 H HIS A 78 2.821 -17.372 -31.209 1.00 0.00 H new ATOM 0 HA HIS A 78 2.061 -20.131 -30.570 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.407 -17.705 -29.927 1.00 0.00 H new ATOM 0 HB3 HIS A 78 0.600 -19.189 -29.016 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.340 -15.860 -28.128 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.049 -17.725 -27.254 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.617 -15.654 -26.876 1.00 0.00 H new