USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 583 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 66 HIS : no HE2:sc= -4.17 K(o=-5.2,f=-12!) USER MOD Set 1.2: A 70 GLN : amide:sc= -1.03 K(o=-5.2,f=-6.7!) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 55 SER OG : rot -119:sc= 0.843 USER MOD Set 2.3: A 83 THR OG1 : rot 79:sc= 0.968 USER MOD Set 3.1: A 29 MET CE :methyl 158:sc= -0.148 (180deg=-0.329) USER MOD Set 3.2: A 32 THR OG1 : rot -140:sc=-0.00802 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.764 X(o=-0.76,f=-0.93) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.00399 X(o=-0.004,f=-0.29) USER MOD Single : A 34 SER OG : rot 165:sc= -3.31! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= 0.0621 (180deg=0) USER MOD Single : A 43 SER OG : rot -6:sc= 0.55 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0873 X(o=-0.087,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -161:sc= -0.487 (180deg=-1.6!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -2.86! USER MOD Single : A 71 ASN :FLIP amide:sc= -3.78! C(o=-4.7!,f=-3.8!) USER MOD Single : A 72 LYS NZ :NH3+ -113:sc= -1.53! (180deg=-3.81!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -16:sc= 0.367 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -166:sc= -4.39! (180deg=-4.82!) USER MOD Single : A 85 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.522 -4.830 13.373 1.00 0.00 N ATOM 60 CA GLY A 7 -4.223 -5.459 13.545 1.00 0.00 C ATOM 61 C GLY A 7 -3.117 -4.616 12.907 1.00 0.00 C ATOM 62 O GLY A 7 -3.278 -4.112 11.796 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.017 -5.592 14.607 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.233 -6.452 13.096 1.00 0.00 H new ATOM 66 N SER A 8 -2.019 -4.488 13.637 1.00 0.00 N ATOM 67 CA SER A 8 -0.886 -3.715 13.156 1.00 0.00 C ATOM 68 C SER A 8 0.248 -4.653 12.738 1.00 0.00 C ATOM 69 O SER A 8 0.324 -5.787 13.207 1.00 0.00 O ATOM 70 CB SER A 8 -0.398 -2.733 14.223 1.00 0.00 C ATOM 71 OG SER A 8 -1.460 -1.941 14.746 1.00 0.00 O ATOM 0 H SER A 8 -1.890 -4.907 14.558 1.00 0.00 H new ATOM 0 HA SER A 8 -1.208 -3.138 12.289 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.076 -3.286 15.035 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.363 -2.081 13.794 1.00 0.00 H new ATOM 0 HG SER A 8 -1.108 -1.329 15.425 1.00 0.00 H new ATOM 77 N VAL A 9 1.100 -4.144 11.861 1.00 0.00 N ATOM 78 CA VAL A 9 2.227 -4.922 11.375 1.00 0.00 C ATOM 79 C VAL A 9 3.434 -4.001 11.185 1.00 0.00 C ATOM 80 O VAL A 9 3.289 -2.780 11.157 1.00 0.00 O ATOM 81 CB VAL A 9 1.836 -5.666 10.096 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.012 -4.769 9.170 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.073 -6.207 9.377 1.00 0.00 C ATOM 0 H VAL A 9 1.033 -3.203 11.474 1.00 0.00 H new ATOM 0 HA VAL A 9 2.509 -5.681 12.104 1.00 0.00 H new ATOM 0 HB VAL A 9 1.215 -6.516 10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.747 -5.322 8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.103 -4.454 9.683 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.598 -3.891 8.898 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.767 -6.731 8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.731 -5.379 9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.603 -6.896 10.034 1.00 0.00 H new ATOM 93 N SER A 10 4.598 -4.621 11.061 1.00 0.00 N ATOM 94 CA SER A 10 5.829 -3.872 10.875 1.00 0.00 C ATOM 95 C SER A 10 6.662 -4.503 9.757 1.00 0.00 C ATOM 96 O SER A 10 6.903 -5.709 9.763 1.00 0.00 O ATOM 97 CB SER A 10 6.639 -3.814 12.171 1.00 0.00 C ATOM 98 OG SER A 10 7.691 -2.854 12.101 1.00 0.00 O ATOM 0 H SER A 10 4.715 -5.634 11.086 1.00 0.00 H new ATOM 0 HA SER A 10 5.569 -2.851 10.594 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.977 -3.567 13.001 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.059 -4.798 12.380 1.00 0.00 H new ATOM 0 HG SER A 10 8.184 -2.846 12.948 1.00 0.00 H new ATOM 104 N LEU A 11 7.078 -3.659 8.825 1.00 0.00 N ATOM 105 CA LEU A 11 7.879 -4.118 7.703 1.00 0.00 C ATOM 106 C LEU A 11 9.285 -3.525 7.808 1.00 0.00 C ATOM 107 O LEU A 11 9.459 -2.419 8.317 1.00 0.00 O ATOM 108 CB LEU A 11 7.177 -3.806 6.380 1.00 0.00 C ATOM 109 CG LEU A 11 5.765 -4.374 6.219 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.260 -4.189 4.786 1.00 0.00 C ATOM 111 CD2 LEU A 11 5.709 -5.837 6.662 1.00 0.00 C ATOM 0 H LEU A 11 6.875 -2.659 8.824 1.00 0.00 H new ATOM 0 HA LEU A 11 7.988 -5.202 7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.127 -2.723 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.795 -4.185 5.566 1.00 0.00 H new ATOM 0 HG LEU A 11 5.095 -3.814 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.255 -4.601 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.239 -3.127 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.926 -4.707 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.695 -6.216 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.395 -6.428 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.998 -5.911 7.710 1.00 0.00 H new ATOM 123 N VAL A 12 10.252 -4.286 7.318 1.00 0.00 N ATOM 124 CA VAL A 12 11.638 -3.850 7.351 1.00 0.00 C ATOM 125 C VAL A 12 12.161 -3.721 5.919 1.00 0.00 C ATOM 126 O VAL A 12 12.409 -4.724 5.252 1.00 0.00 O ATOM 127 CB VAL A 12 12.468 -4.808 8.207 1.00 0.00 C ATOM 128 CG1 VAL A 12 12.342 -6.246 7.700 1.00 0.00 C ATOM 129 CG2 VAL A 12 13.934 -4.369 8.256 1.00 0.00 C ATOM 0 H VAL A 12 10.103 -5.202 6.896 1.00 0.00 H new ATOM 0 HA VAL A 12 11.719 -2.868 7.816 1.00 0.00 H new ATOM 0 HB VAL A 12 12.075 -4.776 9.223 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.942 -6.906 8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.298 -6.556 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 12 12.696 -6.301 6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 12 14.502 -5.067 8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.344 -4.358 7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.000 -3.370 8.686 1.00 0.00 H new ATOM 139 N GLY A 13 12.314 -2.477 5.488 1.00 0.00 N ATOM 140 CA GLY A 13 12.803 -2.204 4.148 1.00 0.00 C ATOM 141 C GLY A 13 12.980 -0.701 3.924 1.00 0.00 C ATOM 142 O GLY A 13 12.354 0.109 4.605 1.00 0.00 O ATOM 0 H GLY A 13 12.108 -1.647 6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.755 -2.713 3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.104 -2.605 3.414 1.00 0.00 H new ATOM 146 N PRO A 14 13.858 -0.366 2.941 1.00 0.00 N ATOM 147 CA PRO A 14 14.125 1.026 2.619 1.00 0.00 C ATOM 148 C PRO A 14 12.961 1.641 1.837 1.00 0.00 C ATOM 149 O PRO A 14 12.954 2.841 1.571 1.00 0.00 O ATOM 150 CB PRO A 14 15.424 1.005 1.831 1.00 0.00 C ATOM 151 CG PRO A 14 15.593 -0.424 1.342 1.00 0.00 C ATOM 152 CD PRO A 14 14.617 -1.298 2.113 1.00 0.00 C ATOM 0 HA PRO A 14 14.223 1.652 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.384 1.702 0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.265 1.306 2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.398 -0.487 0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.617 -0.763 1.500 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.963 -1.851 1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.141 -2.033 2.723 1.00 0.00 H new ATOM 160 N ALA A 15 12.007 0.789 1.492 1.00 0.00 N ATOM 161 CA ALA A 15 10.841 1.233 0.746 1.00 0.00 C ATOM 162 C ALA A 15 10.157 0.023 0.109 1.00 0.00 C ATOM 163 O ALA A 15 8.948 -0.155 0.245 1.00 0.00 O ATOM 164 CB ALA A 15 11.265 2.276 -0.290 1.00 0.00 C ATOM 0 H ALA A 15 12.017 -0.206 1.715 1.00 0.00 H new ATOM 0 HA ALA A 15 10.118 1.708 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.391 2.609 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.718 3.128 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.988 1.835 -0.976 1.00 0.00 H new ATOM 170 N PRO A 16 10.982 -0.801 -0.592 1.00 0.00 N ATOM 171 CA PRO A 16 10.470 -1.990 -1.252 1.00 0.00 C ATOM 172 C PRO A 16 10.173 -3.095 -0.236 1.00 0.00 C ATOM 173 O PRO A 16 10.947 -4.041 -0.098 1.00 0.00 O ATOM 174 CB PRO A 16 11.544 -2.378 -2.255 1.00 0.00 C ATOM 175 CG PRO A 16 12.812 -1.674 -1.800 1.00 0.00 C ATOM 176 CD PRO A 16 12.420 -0.622 -0.775 1.00 0.00 C ATOM 0 HA PRO A 16 9.519 -1.815 -1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.684 -3.459 -2.279 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.267 -2.070 -3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.510 -2.389 -1.365 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.317 -1.211 -2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.959 -0.762 0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.652 0.382 -1.129 1.00 0.00 H new ATOM 184 N TRP A 17 9.050 -2.939 0.449 1.00 0.00 N ATOM 185 CA TRP A 17 8.641 -3.912 1.448 1.00 0.00 C ATOM 186 C TRP A 17 8.210 -5.186 0.719 1.00 0.00 C ATOM 187 O TRP A 17 8.257 -6.276 1.286 1.00 0.00 O ATOM 188 CB TRP A 17 7.547 -3.342 2.353 1.00 0.00 C ATOM 189 CG TRP A 17 7.664 -1.836 2.600 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.136 -0.839 1.878 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.380 -1.195 3.676 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.457 0.394 2.409 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.238 0.171 3.536 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.124 -1.750 4.732 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.811 1.095 4.418 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.690 -0.812 5.605 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.556 0.565 5.478 1.00 0.00 C ATOM 0 H TRP A 17 8.410 -2.153 0.332 1.00 0.00 H new ATOM 0 HA TRP A 17 9.471 -4.155 2.112 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.575 -3.552 1.907 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.576 -3.860 3.312 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.535 -0.982 0.992 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.173 1.302 2.041 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.249 -2.815 4.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.685 2.160 4.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.271 -1.185 6.435 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.025 1.224 6.194 1.00 0.00 H new ATOM 208 N GLY A 18 7.801 -5.006 -0.528 1.00 0.00 N ATOM 209 CA GLY A 18 7.362 -6.127 -1.341 1.00 0.00 C ATOM 210 C GLY A 18 5.845 -6.098 -1.543 1.00 0.00 C ATOM 211 O GLY A 18 5.278 -7.007 -2.147 1.00 0.00 O ATOM 0 H GLY A 18 7.764 -4.100 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.862 -6.096 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.651 -7.063 -0.863 1.00 0.00 H new ATOM 215 N PHE A 19 5.232 -5.043 -1.026 1.00 0.00 N ATOM 216 CA PHE A 19 3.792 -4.884 -1.142 1.00 0.00 C ATOM 217 C PHE A 19 3.441 -3.573 -1.849 1.00 0.00 C ATOM 218 O PHE A 19 4.073 -2.545 -1.608 1.00 0.00 O ATOM 219 CB PHE A 19 3.230 -4.849 0.280 1.00 0.00 C ATOM 220 CG PHE A 19 3.281 -3.467 0.936 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.497 -2.461 0.462 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.109 -3.245 1.991 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.544 -1.179 1.070 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.156 -1.963 2.599 1.00 0.00 C ATOM 225 CZ PHE A 19 3.372 -0.957 2.126 1.00 0.00 C ATOM 0 H PHE A 19 5.706 -4.291 -0.526 1.00 0.00 H new ATOM 0 HA PHE A 19 3.373 -5.704 -1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.196 -5.192 0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.787 -5.554 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.839 -2.638 -0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.731 -4.044 2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.922 -0.380 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.814 -1.786 3.437 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.407 0.018 2.589 1.00 0.00 H new ATOM 235 N ARG A 20 2.435 -3.652 -2.708 1.00 0.00 N ATOM 236 CA ARG A 20 1.993 -2.484 -3.451 1.00 0.00 C ATOM 237 C ARG A 20 0.654 -1.983 -2.905 1.00 0.00 C ATOM 238 O ARG A 20 0.058 -2.617 -2.035 1.00 0.00 O ATOM 239 CB ARG A 20 1.841 -2.805 -4.939 1.00 0.00 C ATOM 240 CG ARG A 20 3.191 -2.735 -5.656 1.00 0.00 C ATOM 241 CD ARG A 20 3.237 -1.550 -6.624 1.00 0.00 C ATOM 242 NE ARG A 20 3.003 -2.018 -8.008 1.00 0.00 N ATOM 243 CZ ARG A 20 2.821 -1.203 -9.056 1.00 0.00 C ATOM 244 NH1 ARG A 20 2.846 0.126 -8.883 1.00 0.00 N ATOM 245 NH2 ARG A 20 2.614 -1.716 -10.276 1.00 0.00 N ATOM 0 H ARG A 20 1.914 -4.506 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 20 2.750 -1.709 -3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.413 -3.800 -5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.145 -2.102 -5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.992 -2.641 -4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.365 -3.662 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.482 -0.814 -6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.205 -1.053 -6.558 1.00 0.00 H new ATOM 0 HE ARG A 20 2.979 -3.024 -8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.004 0.516 -7.954 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.708 0.747 -9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.595 -2.727 -10.407 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.475 -1.095 -11.073 1.00 0.00 H new ATOM 259 N LEU A 21 0.221 -0.850 -3.438 1.00 0.00 N ATOM 260 CA LEU A 21 -1.036 -0.257 -3.015 1.00 0.00 C ATOM 261 C LEU A 21 -1.819 0.201 -4.246 1.00 0.00 C ATOM 262 O LEU A 21 -1.232 0.480 -5.291 1.00 0.00 O ATOM 263 CB LEU A 21 -0.786 0.857 -1.996 1.00 0.00 C ATOM 264 CG LEU A 21 -0.150 0.425 -0.673 1.00 0.00 C ATOM 265 CD1 LEU A 21 0.327 1.639 0.128 1.00 0.00 C ATOM 266 CD2 LEU A 21 -1.106 -0.454 0.135 1.00 0.00 C ATOM 0 H LEU A 21 0.718 -0.327 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.652 -0.995 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.144 1.607 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.737 1.343 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 21 0.729 -0.179 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.775 1.304 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.067 2.190 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.521 2.289 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.629 -0.747 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.017 0.103 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.354 -1.346 -0.440 1.00 0.00 H new ATOM 278 N GLN A 22 -3.132 0.264 -4.084 1.00 0.00 N ATOM 279 CA GLN A 22 -4.002 0.683 -5.170 1.00 0.00 C ATOM 280 C GLN A 22 -5.344 1.168 -4.618 1.00 0.00 C ATOM 281 O GLN A 22 -5.803 0.689 -3.582 1.00 0.00 O ATOM 282 CB GLN A 22 -4.201 -0.448 -6.180 1.00 0.00 C ATOM 283 CG GLN A 22 -4.992 -1.602 -5.563 1.00 0.00 C ATOM 284 CD GLN A 22 -5.537 -2.535 -6.646 1.00 0.00 C ATOM 285 OE1 GLN A 22 -5.965 -2.112 -7.707 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.497 -3.824 -6.320 1.00 0.00 N ATOM 0 H GLN A 22 -3.615 0.032 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.525 1.512 -5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.727 -0.069 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.231 -0.809 -6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.352 -2.164 -4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.817 -1.206 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.126 -4.110 -5.414 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.838 -4.527 -6.976 1.00 0.00 H new ATOM 295 N GLY A 23 -5.936 2.112 -5.335 1.00 0.00 N ATOM 296 CA GLY A 23 -7.216 2.667 -4.930 1.00 0.00 C ATOM 297 C GLY A 23 -7.035 4.024 -4.247 1.00 0.00 C ATOM 298 O GLY A 23 -6.026 4.697 -4.453 1.00 0.00 O ATOM 0 H GLY A 23 -5.553 2.506 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.860 2.778 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.716 1.978 -4.250 1.00 0.00 H new ATOM 302 N GLY A 24 -8.027 4.386 -3.447 1.00 0.00 N ATOM 303 CA GLY A 24 -7.990 5.651 -2.733 1.00 0.00 C ATOM 304 C GLY A 24 -9.201 6.516 -3.085 1.00 0.00 C ATOM 305 O GLY A 24 -10.089 6.079 -3.815 1.00 0.00 O ATOM 0 H GLY A 24 -8.862 3.825 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.971 5.466 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.073 6.185 -2.981 1.00 0.00 H new ATOM 309 N LYS A 25 -9.199 7.728 -2.549 1.00 0.00 N ATOM 310 CA LYS A 25 -10.287 8.658 -2.798 1.00 0.00 C ATOM 311 C LYS A 25 -10.304 9.031 -4.282 1.00 0.00 C ATOM 312 O LYS A 25 -11.332 8.903 -4.946 1.00 0.00 O ATOM 313 CB LYS A 25 -10.185 9.864 -1.862 1.00 0.00 C ATOM 314 CG LYS A 25 -11.427 9.975 -0.974 1.00 0.00 C ATOM 315 CD LYS A 25 -11.102 10.700 0.333 1.00 0.00 C ATOM 316 CE LYS A 25 -10.764 12.170 0.076 1.00 0.00 C ATOM 317 NZ LYS A 25 -9.396 12.478 0.549 1.00 0.00 N ATOM 0 H LYS A 25 -8.461 8.087 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.246 8.191 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.295 9.771 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.070 10.776 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.212 10.512 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.813 8.979 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.952 10.632 1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.261 10.211 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.844 12.387 -0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.484 12.809 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.183 13.480 0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.331 12.290 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.711 11.881 0.043 1.00 0.00 H new ATOM 331 N ASP A 26 -9.154 9.485 -4.758 1.00 0.00 N ATOM 332 CA ASP A 26 -9.024 9.878 -6.151 1.00 0.00 C ATOM 333 C ASP A 26 -9.354 8.682 -7.046 1.00 0.00 C ATOM 334 O ASP A 26 -9.621 8.847 -8.236 1.00 0.00 O ATOM 335 CB ASP A 26 -7.596 10.325 -6.466 1.00 0.00 C ATOM 336 CG ASP A 26 -7.258 10.409 -7.956 1.00 0.00 C ATOM 337 OD1 ASP A 26 -7.675 11.410 -8.577 1.00 0.00 O ATOM 338 OD2 ASP A 26 -6.590 9.470 -8.441 1.00 0.00 O ATOM 0 H ASP A 26 -8.304 9.589 -4.204 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.709 10.706 -6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.430 11.304 -6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.901 9.633 -5.990 1.00 0.00 H new ATOM 343 N PHE A 27 -9.324 7.504 -6.441 1.00 0.00 N ATOM 344 CA PHE A 27 -9.616 6.280 -7.168 1.00 0.00 C ATOM 345 C PHE A 27 -11.070 5.853 -6.960 1.00 0.00 C ATOM 346 O PHE A 27 -11.585 5.012 -7.696 1.00 0.00 O ATOM 347 CB PHE A 27 -8.693 5.196 -6.609 1.00 0.00 C ATOM 348 CG PHE A 27 -7.241 5.311 -7.079 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.553 6.467 -6.882 1.00 0.00 C ATOM 350 CD2 PHE A 27 -6.640 4.258 -7.694 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.205 6.574 -7.319 1.00 0.00 C ATOM 352 CE2 PHE A 27 -5.293 4.364 -8.130 1.00 0.00 C ATOM 353 CZ PHE A 27 -4.604 5.520 -7.933 1.00 0.00 C ATOM 0 H PHE A 27 -9.102 7.371 -5.454 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.460 6.435 -8.236 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.716 5.240 -5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.081 4.219 -6.897 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.031 7.304 -6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.187 3.340 -7.851 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.658 7.492 -7.163 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.816 3.527 -8.618 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.579 5.601 -8.264 1.00 0.00 H new ATOM 363 N ASN A 28 -11.691 6.450 -5.954 1.00 0.00 N ATOM 364 CA ASN A 28 -13.076 6.142 -5.639 1.00 0.00 C ATOM 365 C ASN A 28 -13.160 4.726 -5.064 1.00 0.00 C ATOM 366 O ASN A 28 -14.128 4.009 -5.312 1.00 0.00 O ATOM 367 CB ASN A 28 -13.950 6.196 -6.893 1.00 0.00 C ATOM 368 CG ASN A 28 -15.396 6.548 -6.538 1.00 0.00 C ATOM 369 OD1 ASN A 28 -15.945 6.103 -5.544 1.00 0.00 O ATOM 370 ND2 ASN A 28 -15.981 7.370 -7.405 1.00 0.00 N ATOM 0 H ASN A 28 -11.260 7.146 -5.346 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.431 6.880 -4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.552 6.936 -7.587 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -13.921 5.233 -7.403 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -16.946 7.664 -7.257 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -15.464 7.706 -8.218 1.00 0.00 H new ATOM 377 N MET A 29 -12.134 4.367 -4.308 1.00 0.00 N ATOM 378 CA MET A 29 -12.080 3.050 -3.696 1.00 0.00 C ATOM 379 C MET A 29 -11.151 3.048 -2.480 1.00 0.00 C ATOM 380 O MET A 29 -10.368 3.977 -2.291 1.00 0.00 O ATOM 381 CB MET A 29 -11.581 2.030 -4.721 1.00 0.00 C ATOM 382 CG MET A 29 -10.056 1.921 -4.688 1.00 0.00 C ATOM 383 SD MET A 29 -9.497 0.788 -5.950 1.00 0.00 S ATOM 384 CE MET A 29 -8.866 -0.530 -4.925 1.00 0.00 C ATOM 0 H MET A 29 -11.333 4.965 -4.105 1.00 0.00 H new ATOM 0 HA MET A 29 -13.083 2.783 -3.364 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.023 1.055 -4.515 1.00 0.00 H new ATOM 0 HB3 MET A 29 -11.907 2.323 -5.719 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.610 2.903 -4.846 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.729 1.576 -3.707 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.840 -1.456 -5.499 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.858 -0.281 -4.592 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.514 -0.658 -4.058 1.00 0.00 H new ATOM 394 N PRO A 30 -11.272 1.965 -1.666 1.00 0.00 N ATOM 395 CA PRO A 30 -10.453 1.830 -0.474 1.00 0.00 C ATOM 396 C PRO A 30 -9.018 1.441 -0.836 1.00 0.00 C ATOM 397 O PRO A 30 -8.779 0.841 -1.883 1.00 0.00 O ATOM 398 CB PRO A 30 -11.158 0.781 0.371 1.00 0.00 C ATOM 399 CG PRO A 30 -12.083 0.035 -0.577 1.00 0.00 C ATOM 400 CD PRO A 30 -12.189 0.845 -1.858 1.00 0.00 C ATOM 0 HA PRO A 30 -10.354 2.765 0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.440 0.102 0.830 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.721 1.245 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.693 -0.961 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.067 -0.096 -0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.910 0.249 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.209 1.192 -2.024 1.00 0.00 H new ATOM 408 N LEU A 31 -8.101 1.798 0.051 1.00 0.00 N ATOM 409 CA LEU A 31 -6.696 1.493 -0.162 1.00 0.00 C ATOM 410 C LEU A 31 -6.454 0.007 0.107 1.00 0.00 C ATOM 411 O LEU A 31 -6.541 -0.443 1.249 1.00 0.00 O ATOM 412 CB LEU A 31 -5.814 2.421 0.675 1.00 0.00 C ATOM 413 CG LEU A 31 -5.780 3.888 0.240 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.867 4.821 1.450 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.548 4.177 -0.619 1.00 0.00 C ATOM 0 H LEU A 31 -8.303 2.295 0.918 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.419 1.678 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.154 2.377 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.795 2.034 0.658 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.656 4.081 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.841 5.857 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.799 4.637 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.024 4.634 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.548 5.226 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.646 3.962 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.570 3.549 -1.510 1.00 0.00 H new ATOM 427 N THR A 32 -6.156 -0.715 -0.963 1.00 0.00 N ATOM 428 CA THR A 32 -5.901 -2.141 -0.857 1.00 0.00 C ATOM 429 C THR A 32 -4.485 -2.468 -1.337 1.00 0.00 C ATOM 430 O THR A 32 -3.824 -1.629 -1.947 1.00 0.00 O ATOM 431 CB THR A 32 -6.992 -2.876 -1.638 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.425 -1.926 -2.607 1.00 0.00 O ATOM 433 CG2 THR A 32 -8.240 -3.141 -0.793 1.00 0.00 C ATOM 0 H THR A 32 -6.085 -0.339 -1.908 1.00 0.00 H new ATOM 0 HA THR A 32 -5.943 -2.474 0.180 1.00 0.00 H new ATOM 0 HB THR A 32 -6.597 -3.822 -2.009 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.399 -1.976 -2.702 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.983 -3.665 -1.395 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.973 -3.754 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.654 -2.193 -0.449 1.00 0.00 H new ATOM 441 N ILE A 33 -4.062 -3.689 -1.044 1.00 0.00 N ATOM 442 CA ILE A 33 -2.737 -4.136 -1.439 1.00 0.00 C ATOM 443 C ILE A 33 -2.749 -4.505 -2.924 1.00 0.00 C ATOM 444 O ILE A 33 -3.224 -5.576 -3.297 1.00 0.00 O ATOM 445 CB ILE A 33 -2.261 -5.269 -0.528 1.00 0.00 C ATOM 446 CG1 ILE A 33 -2.251 -4.827 0.937 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.897 -5.797 -0.976 1.00 0.00 C ATOM 448 CD1 ILE A 33 -1.326 -3.626 1.142 1.00 0.00 C ATOM 0 H ILE A 33 -4.613 -4.382 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.011 -3.332 -1.316 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.969 -6.094 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.263 -4.568 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.924 -5.654 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.582 -6.602 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.970 -6.176 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.165 -4.990 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.338 -3.333 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.310 -3.895 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.670 -2.793 0.529 1.00 0.00 H new ATOM 460 N SER A 34 -2.221 -3.596 -3.730 1.00 0.00 N ATOM 461 CA SER A 34 -2.165 -3.812 -5.166 1.00 0.00 C ATOM 462 C SER A 34 -1.704 -5.241 -5.463 1.00 0.00 C ATOM 463 O SER A 34 -2.392 -5.987 -6.157 1.00 0.00 O ATOM 464 CB SER A 34 -1.232 -2.803 -5.839 1.00 0.00 C ATOM 465 OG SER A 34 -0.168 -3.443 -6.538 1.00 0.00 O ATOM 0 H SER A 34 -1.828 -2.708 -3.416 1.00 0.00 H new ATOM 0 HA SER A 34 -3.166 -3.668 -5.573 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.804 -2.188 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.819 -2.133 -5.085 1.00 0.00 H new ATOM 0 HG SER A 34 0.258 -2.801 -7.144 1.00 0.00 H new ATOM 471 N SER A 35 -0.542 -5.578 -4.922 1.00 0.00 N ATOM 472 CA SER A 35 0.018 -6.903 -5.120 1.00 0.00 C ATOM 473 C SER A 35 1.078 -7.188 -4.053 1.00 0.00 C ATOM 474 O SER A 35 1.344 -6.346 -3.197 1.00 0.00 O ATOM 475 CB SER A 35 0.622 -7.043 -6.518 1.00 0.00 C ATOM 476 OG SER A 35 -0.129 -7.935 -7.337 1.00 0.00 O ATOM 0 H SER A 35 0.026 -4.956 -4.347 1.00 0.00 H new ATOM 0 HA SER A 35 -0.787 -7.632 -5.027 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.665 -6.063 -6.994 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.648 -7.403 -6.435 1.00 0.00 H new ATOM 0 HG SER A 35 0.288 -7.996 -8.222 1.00 0.00 H new ATOM 482 N LEU A 36 1.655 -8.377 -4.141 1.00 0.00 N ATOM 483 CA LEU A 36 2.680 -8.783 -3.194 1.00 0.00 C ATOM 484 C LEU A 36 3.888 -9.327 -3.959 1.00 0.00 C ATOM 485 O LEU A 36 3.744 -9.848 -5.064 1.00 0.00 O ATOM 486 CB LEU A 36 2.106 -9.766 -2.171 1.00 0.00 C ATOM 487 CG LEU A 36 2.164 -9.321 -0.708 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.580 -8.889 -0.322 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.134 -8.226 -0.427 1.00 0.00 C ATOM 0 H LEU A 36 1.433 -9.072 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 36 3.027 -7.926 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.065 -9.962 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.641 -10.711 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 36 1.906 -10.174 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.593 -8.578 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.266 -9.725 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.891 -8.056 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.196 -7.928 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.337 -7.364 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.134 -8.605 -0.637 1.00 0.00 H new ATOM 501 N LYS A 37 5.052 -9.189 -3.340 1.00 0.00 N ATOM 502 CA LYS A 37 6.284 -9.660 -3.949 1.00 0.00 C ATOM 503 C LYS A 37 6.609 -11.057 -3.417 1.00 0.00 C ATOM 504 O LYS A 37 6.271 -11.387 -2.281 1.00 0.00 O ATOM 505 CB LYS A 37 7.409 -8.645 -3.738 1.00 0.00 C ATOM 506 CG LYS A 37 8.779 -9.295 -3.937 1.00 0.00 C ATOM 507 CD LYS A 37 9.871 -8.235 -4.096 1.00 0.00 C ATOM 508 CE LYS A 37 10.917 -8.356 -2.986 1.00 0.00 C ATOM 509 NZ LYS A 37 12.281 -8.194 -3.539 1.00 0.00 N ATOM 0 H LYS A 37 5.167 -8.758 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 37 6.165 -9.749 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.291 -7.816 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.343 -8.228 -2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.009 -9.934 -3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.757 -9.935 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.352 -8.346 -5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.424 -7.241 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.735 -7.599 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.829 -9.327 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.979 -8.279 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.457 -8.932 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.367 -7.257 -3.983 1.00 0.00 H new ATOM 523 N ASP A 38 7.260 -11.841 -4.263 1.00 0.00 N ATOM 524 CA ASP A 38 7.634 -13.195 -3.893 1.00 0.00 C ATOM 525 C ASP A 38 8.496 -13.154 -2.629 1.00 0.00 C ATOM 526 O ASP A 38 9.579 -12.571 -2.630 1.00 0.00 O ATOM 527 CB ASP A 38 8.452 -13.864 -5.000 1.00 0.00 C ATOM 528 CG ASP A 38 8.460 -15.393 -4.963 1.00 0.00 C ATOM 529 OD1 ASP A 38 7.559 -15.950 -4.300 1.00 0.00 O ATOM 530 OD2 ASP A 38 9.368 -15.971 -5.600 1.00 0.00 O ATOM 0 H ASP A 38 7.538 -11.564 -5.204 1.00 0.00 H new ATOM 0 HA ASP A 38 6.719 -13.763 -3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.062 -13.541 -5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.480 -13.509 -4.937 1.00 0.00 H new ATOM 535 N GLY A 39 7.982 -13.779 -1.580 1.00 0.00 N ATOM 536 CA GLY A 39 8.691 -13.821 -0.312 1.00 0.00 C ATOM 537 C GLY A 39 9.009 -12.409 0.185 1.00 0.00 C ATOM 538 O GLY A 39 10.133 -12.132 0.600 1.00 0.00 O ATOM 0 H GLY A 39 7.083 -14.261 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.087 -14.344 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.615 -14.387 -0.427 1.00 0.00 H new ATOM 542 N GLY A 40 7.998 -11.554 0.127 1.00 0.00 N ATOM 543 CA GLY A 40 8.156 -10.178 0.566 1.00 0.00 C ATOM 544 C GLY A 40 7.871 -10.044 2.063 1.00 0.00 C ATOM 545 O GLY A 40 7.231 -10.911 2.656 1.00 0.00 O ATOM 0 H GLY A 40 7.067 -11.788 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.170 -9.839 0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.480 -9.533 0.004 1.00 0.00 H new ATOM 549 N LYS A 41 8.359 -8.951 2.630 1.00 0.00 N ATOM 550 CA LYS A 41 8.164 -8.692 4.047 1.00 0.00 C ATOM 551 C LYS A 41 6.670 -8.757 4.372 1.00 0.00 C ATOM 552 O LYS A 41 6.270 -9.395 5.344 1.00 0.00 O ATOM 553 CB LYS A 41 8.824 -7.371 4.446 1.00 0.00 C ATOM 554 CG LYS A 41 10.347 -7.464 4.339 1.00 0.00 C ATOM 555 CD LYS A 41 10.860 -6.690 3.123 1.00 0.00 C ATOM 556 CE LYS A 41 11.612 -7.614 2.162 1.00 0.00 C ATOM 557 NZ LYS A 41 11.496 -7.120 0.772 1.00 0.00 N ATOM 0 H LYS A 41 8.889 -8.234 2.134 1.00 0.00 H new ATOM 0 HA LYS A 41 8.654 -9.460 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.459 -6.570 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.543 -7.114 5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.804 -7.068 5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.646 -8.509 4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.022 -6.224 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.519 -5.886 3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.662 -7.669 2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.209 -8.625 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.367 -7.345 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.686 -7.577 0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.354 -6.090 0.780 1.00 0.00 H new ATOM 571 N ALA A 42 5.887 -8.087 3.539 1.00 0.00 N ATOM 572 CA ALA A 42 4.446 -8.060 3.726 1.00 0.00 C ATOM 573 C ALA A 42 3.915 -9.495 3.771 1.00 0.00 C ATOM 574 O ALA A 42 3.272 -9.892 4.741 1.00 0.00 O ATOM 575 CB ALA A 42 3.802 -7.235 2.611 1.00 0.00 C ATOM 0 H ALA A 42 6.223 -7.559 2.733 1.00 0.00 H new ATOM 0 HA ALA A 42 4.191 -7.584 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.721 -7.215 2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.191 -6.217 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.034 -7.684 1.645 1.00 0.00 H new ATOM 581 N SER A 43 4.204 -10.232 2.709 1.00 0.00 N ATOM 582 CA SER A 43 3.764 -11.614 2.615 1.00 0.00 C ATOM 583 C SER A 43 4.236 -12.398 3.841 1.00 0.00 C ATOM 584 O SER A 43 3.543 -13.300 4.310 1.00 0.00 O ATOM 585 CB SER A 43 4.281 -12.271 1.334 1.00 0.00 C ATOM 586 OG SER A 43 5.697 -12.165 1.214 1.00 0.00 O ATOM 0 H SER A 43 4.737 -9.899 1.906 1.00 0.00 H new ATOM 0 HA SER A 43 2.675 -11.624 2.582 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.994 -13.322 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.808 -11.804 0.470 1.00 0.00 H new ATOM 0 HG SER A 43 6.046 -11.609 1.941 1.00 0.00 H new ATOM 592 N GLN A 44 5.411 -12.026 4.326 1.00 0.00 N ATOM 593 CA GLN A 44 5.983 -12.683 5.488 1.00 0.00 C ATOM 594 C GLN A 44 5.172 -12.348 6.741 1.00 0.00 C ATOM 595 O GLN A 44 5.215 -13.080 7.728 1.00 0.00 O ATOM 596 CB GLN A 44 7.453 -12.297 5.668 1.00 0.00 C ATOM 597 CG GLN A 44 8.343 -13.052 4.679 1.00 0.00 C ATOM 598 CD GLN A 44 9.802 -13.049 5.140 1.00 0.00 C ATOM 599 OE1 GLN A 44 10.253 -13.921 5.865 1.00 0.00 O ATOM 600 NE2 GLN A 44 10.512 -12.022 4.682 1.00 0.00 N ATOM 0 H GLN A 44 5.983 -11.277 3.935 1.00 0.00 H new ATOM 0 HA GLN A 44 5.940 -13.760 5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.571 -11.223 5.523 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.768 -12.517 6.688 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.992 -14.079 4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.269 -12.592 3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.073 -11.327 4.079 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.496 -11.929 4.934 1.00 0.00 H new ATOM 609 N ALA A 45 4.450 -11.240 6.660 1.00 0.00 N ATOM 610 CA ALA A 45 3.629 -10.798 7.775 1.00 0.00 C ATOM 611 C ALA A 45 2.235 -11.418 7.654 1.00 0.00 C ATOM 612 O ALA A 45 1.314 -11.026 8.368 1.00 0.00 O ATOM 613 CB ALA A 45 3.587 -9.269 7.805 1.00 0.00 C ATOM 0 H ALA A 45 4.416 -10.635 5.840 1.00 0.00 H new ATOM 0 HA ALA A 45 4.056 -11.130 8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.971 -8.938 8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.598 -8.879 7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.162 -8.898 6.872 1.00 0.00 H new ATOM 619 N HIS A 46 2.125 -12.374 6.744 1.00 0.00 N ATOM 620 CA HIS A 46 0.859 -13.052 6.519 1.00 0.00 C ATOM 621 C HIS A 46 -0.158 -12.062 5.949 1.00 0.00 C ATOM 622 O HIS A 46 -1.339 -12.115 6.290 1.00 0.00 O ATOM 623 CB HIS A 46 0.372 -13.731 7.801 1.00 0.00 C ATOM 624 CG HIS A 46 1.188 -14.935 8.206 1.00 0.00 C ATOM 625 ND1 HIS A 46 0.616 -16.150 8.542 1.00 0.00 N ATOM 626 CD2 HIS A 46 2.537 -15.099 8.324 1.00 0.00 C ATOM 627 CE1 HIS A 46 1.586 -16.999 8.848 1.00 0.00 C ATOM 628 NE2 HIS A 46 2.776 -16.346 8.713 1.00 0.00 N ATOM 0 H HIS A 46 2.892 -12.696 6.153 1.00 0.00 H new ATOM 0 HA HIS A 46 0.992 -13.846 5.784 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.388 -13.004 8.613 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.666 -14.037 7.667 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.284 -14.343 8.133 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.457 -18.028 9.151 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.697 -16.749 8.883 1.00 0.00 H new ATOM 636 N VAL A 47 0.336 -11.182 5.091 1.00 0.00 N ATOM 637 CA VAL A 47 -0.515 -10.181 4.471 1.00 0.00 C ATOM 638 C VAL A 47 -0.990 -10.695 3.110 1.00 0.00 C ATOM 639 O VAL A 47 -0.189 -10.865 2.192 1.00 0.00 O ATOM 640 CB VAL A 47 0.227 -8.846 4.380 1.00 0.00 C ATOM 641 CG1 VAL A 47 -0.652 -7.773 3.734 1.00 0.00 C ATOM 642 CG2 VAL A 47 0.718 -8.397 5.757 1.00 0.00 C ATOM 0 H VAL A 47 1.316 -11.141 4.810 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.402 -10.003 5.080 1.00 0.00 H new ATOM 0 HB VAL A 47 1.100 -8.991 3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.101 -6.834 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.930 -8.087 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.553 -7.632 4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.242 -7.446 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.134 -8.278 6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.397 -9.147 6.164 1.00 0.00 H new ATOM 652 N ARG A 48 -2.292 -10.929 3.023 1.00 0.00 N ATOM 653 CA ARG A 48 -2.883 -11.420 1.790 1.00 0.00 C ATOM 654 C ARG A 48 -3.445 -10.256 0.971 1.00 0.00 C ATOM 655 O ARG A 48 -3.830 -9.229 1.527 1.00 0.00 O ATOM 656 CB ARG A 48 -4.004 -12.420 2.078 1.00 0.00 C ATOM 657 CG ARG A 48 -3.461 -13.849 2.143 1.00 0.00 C ATOM 658 CD ARG A 48 -3.982 -14.578 3.383 1.00 0.00 C ATOM 659 NE ARG A 48 -3.391 -13.986 4.604 1.00 0.00 N ATOM 660 CZ ARG A 48 -3.595 -14.457 5.841 1.00 0.00 C ATOM 661 NH1 ARG A 48 -4.376 -15.529 6.030 1.00 0.00 N ATOM 662 NH2 ARG A 48 -3.018 -13.856 6.891 1.00 0.00 N ATOM 0 H ARG A 48 -2.954 -10.788 3.786 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.099 -11.923 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.488 -12.168 3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.766 -12.352 1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.754 -14.394 1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.371 -13.827 2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.069 -14.510 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.731 -15.637 3.324 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.791 -13.168 4.497 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.816 -15.987 5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.531 -15.887 6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.423 -13.040 6.748 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.174 -14.215 7.833 1.00 0.00 H new ATOM 676 N ILE A 49 -3.474 -10.456 -0.339 1.00 0.00 N ATOM 677 CA ILE A 49 -3.982 -9.436 -1.240 1.00 0.00 C ATOM 678 C ILE A 49 -5.427 -9.104 -0.865 1.00 0.00 C ATOM 679 O ILE A 49 -6.216 -9.999 -0.564 1.00 0.00 O ATOM 680 CB ILE A 49 -3.810 -9.874 -2.696 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.329 -9.982 -3.065 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.571 -8.943 -3.642 1.00 0.00 C ATOM 683 CD1 ILE A 49 -1.569 -8.718 -2.657 1.00 0.00 C ATOM 0 H ILE A 49 -3.154 -11.309 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.406 -8.516 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.242 -10.869 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.890 -10.850 -2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.229 -10.140 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.432 -9.277 -4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.632 -8.961 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.191 -7.927 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.519 -8.821 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.995 -7.856 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.651 -8.576 -1.579 1.00 0.00 H new ATOM 695 N GLY A 50 -5.731 -7.815 -0.894 1.00 0.00 N ATOM 696 CA GLY A 50 -7.068 -7.353 -0.560 1.00 0.00 C ATOM 697 C GLY A 50 -7.077 -6.627 0.786 1.00 0.00 C ATOM 698 O GLY A 50 -8.060 -5.977 1.139 1.00 0.00 O ATOM 0 H GLY A 50 -5.074 -7.075 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.431 -6.684 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.751 -8.201 -0.524 1.00 0.00 H new ATOM 702 N ASP A 51 -5.970 -6.761 1.502 1.00 0.00 N ATOM 703 CA ASP A 51 -5.838 -6.125 2.802 1.00 0.00 C ATOM 704 C ASP A 51 -6.137 -4.631 2.667 1.00 0.00 C ATOM 705 O ASP A 51 -5.767 -4.007 1.674 1.00 0.00 O ATOM 706 CB ASP A 51 -4.416 -6.276 3.347 1.00 0.00 C ATOM 707 CG ASP A 51 -3.816 -5.004 3.948 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.459 -4.452 4.868 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.728 -4.611 3.475 1.00 0.00 O ATOM 0 H ASP A 51 -5.156 -7.301 1.207 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.539 -6.605 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.416 -7.055 4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.768 -6.619 2.540 1.00 0.00 H new ATOM 714 N VAL A 52 -6.803 -4.099 3.681 1.00 0.00 N ATOM 715 CA VAL A 52 -7.156 -2.690 3.688 1.00 0.00 C ATOM 716 C VAL A 52 -6.336 -1.968 4.760 1.00 0.00 C ATOM 717 O VAL A 52 -6.467 -2.260 5.948 1.00 0.00 O ATOM 718 CB VAL A 52 -8.665 -2.528 3.881 1.00 0.00 C ATOM 719 CG1 VAL A 52 -9.038 -1.059 4.085 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.435 -3.131 2.705 1.00 0.00 C ATOM 0 H VAL A 52 -7.108 -4.619 4.504 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.914 -2.232 2.729 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.948 -3.073 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.116 -0.973 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.530 -0.674 4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.734 -0.482 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.505 -3.003 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.144 -2.627 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.205 -4.193 2.626 1.00 0.00 H new ATOM 730 N VAL A 53 -5.508 -1.041 4.302 1.00 0.00 N ATOM 731 CA VAL A 53 -4.667 -0.276 5.207 1.00 0.00 C ATOM 732 C VAL A 53 -5.535 0.704 5.998 1.00 0.00 C ATOM 733 O VAL A 53 -5.970 1.724 5.465 1.00 0.00 O ATOM 734 CB VAL A 53 -3.548 0.414 4.424 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.628 1.200 5.360 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.753 -0.598 3.596 1.00 0.00 C ATOM 0 H VAL A 53 -5.401 -0.802 3.316 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.183 -0.935 5.927 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.009 1.122 3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.842 1.681 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.207 1.960 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.179 0.520 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.964 -0.081 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.309 -1.341 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.419 -1.094 2.890 1.00 0.00 H new ATOM 746 N LEU A 54 -5.763 0.360 7.257 1.00 0.00 N ATOM 747 CA LEU A 54 -6.572 1.197 8.127 1.00 0.00 C ATOM 748 C LEU A 54 -5.789 2.463 8.482 1.00 0.00 C ATOM 749 O LEU A 54 -6.364 3.546 8.576 1.00 0.00 O ATOM 750 CB LEU A 54 -7.043 0.403 9.347 1.00 0.00 C ATOM 751 CG LEU A 54 -7.985 -0.768 9.062 1.00 0.00 C ATOM 752 CD1 LEU A 54 -8.040 -1.729 10.252 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.375 -0.270 8.662 1.00 0.00 C ATOM 0 H LEU A 54 -5.402 -0.487 7.696 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.479 1.516 7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.165 0.019 9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.544 1.088 10.031 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.588 -1.327 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.717 -2.553 10.024 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.043 -2.123 10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.400 -1.197 11.133 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.024 -1.123 8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.795 0.326 9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.298 0.342 7.763 1.00 0.00 H new ATOM 765 N SER A 55 -4.489 2.284 8.669 1.00 0.00 N ATOM 766 CA SER A 55 -3.622 3.398 9.011 1.00 0.00 C ATOM 767 C SER A 55 -2.284 3.263 8.281 1.00 0.00 C ATOM 768 O SER A 55 -1.996 2.222 7.692 1.00 0.00 O ATOM 769 CB SER A 55 -3.397 3.477 10.522 1.00 0.00 C ATOM 770 OG SER A 55 -2.944 2.238 11.060 1.00 0.00 O ATOM 0 H SER A 55 -4.016 1.384 8.590 1.00 0.00 H new ATOM 0 HA SER A 55 -4.109 4.320 8.695 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.666 4.256 10.739 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.326 3.767 11.012 1.00 0.00 H new ATOM 0 HG SER A 55 -3.595 1.908 11.715 1.00 0.00 H new ATOM 776 N ILE A 56 -1.502 4.331 8.344 1.00 0.00 N ATOM 777 CA ILE A 56 -0.201 4.345 7.697 1.00 0.00 C ATOM 778 C ILE A 56 0.785 5.134 8.560 1.00 0.00 C ATOM 779 O ILE A 56 0.974 6.332 8.356 1.00 0.00 O ATOM 780 CB ILE A 56 -0.321 4.869 6.264 1.00 0.00 C ATOM 781 CG1 ILE A 56 -1.031 3.855 5.366 1.00 0.00 C ATOM 782 CG2 ILE A 56 1.048 5.267 5.710 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.394 4.477 4.016 1.00 0.00 C ATOM 0 H ILE A 56 -1.744 5.193 8.833 1.00 0.00 H new ATOM 0 HA ILE A 56 0.192 3.332 7.610 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.936 5.769 6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.388 2.989 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.934 3.496 5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.935 5.636 4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.479 6.050 6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.707 4.399 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.898 3.735 3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.057 5.328 4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.486 4.812 3.514 1.00 0.00 H new ATOM 795 N ASP A 57 1.388 4.429 9.507 1.00 0.00 N ATOM 796 CA ASP A 57 2.350 5.049 10.402 1.00 0.00 C ATOM 797 C ASP A 57 1.605 5.871 11.455 1.00 0.00 C ATOM 798 O ASP A 57 1.966 7.015 11.725 1.00 0.00 O ATOM 799 CB ASP A 57 3.284 5.992 9.640 1.00 0.00 C ATOM 800 CG ASP A 57 4.677 6.155 10.251 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.347 5.114 10.421 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.040 7.317 10.534 1.00 0.00 O ATOM 0 H ASP A 57 1.229 3.435 9.673 1.00 0.00 H new ATOM 0 HA ASP A 57 2.937 4.257 10.866 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.392 5.625 8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.814 6.973 9.578 1.00 0.00 H new ATOM 807 N GLY A 58 0.577 5.255 12.022 1.00 0.00 N ATOM 808 CA GLY A 58 -0.222 5.915 13.040 1.00 0.00 C ATOM 809 C GLY A 58 -1.122 6.986 12.421 1.00 0.00 C ATOM 810 O GLY A 58 -1.835 7.691 13.134 1.00 0.00 O ATOM 0 H GLY A 58 0.280 4.306 11.795 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.833 5.179 13.562 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.433 6.370 13.783 1.00 0.00 H new ATOM 814 N ILE A 59 -1.059 7.076 11.100 1.00 0.00 N ATOM 815 CA ILE A 59 -1.860 8.049 10.377 1.00 0.00 C ATOM 816 C ILE A 59 -3.128 7.372 9.853 1.00 0.00 C ATOM 817 O ILE A 59 -3.097 6.205 9.464 1.00 0.00 O ATOM 818 CB ILE A 59 -1.026 8.723 9.286 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.116 9.540 9.893 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.909 9.568 8.365 1.00 0.00 C ATOM 821 CD1 ILE A 59 -0.334 10.971 10.195 1.00 0.00 C ATOM 0 H ILE A 59 -0.465 6.491 10.512 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.179 8.851 11.043 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.573 7.944 8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.462 9.063 10.810 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.961 9.558 9.205 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.292 10.036 7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.655 8.930 7.891 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.410 10.340 8.949 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.497 11.530 10.626 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.657 11.453 9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.163 10.950 10.902 1.00 0.00 H new ATOM 833 N SER A 60 -4.212 8.133 9.859 1.00 0.00 N ATOM 834 CA SER A 60 -5.488 7.621 9.389 1.00 0.00 C ATOM 835 C SER A 60 -5.505 7.582 7.860 1.00 0.00 C ATOM 836 O SER A 60 -5.433 8.623 7.209 1.00 0.00 O ATOM 837 CB SER A 60 -6.649 8.470 9.912 1.00 0.00 C ATOM 838 OG SER A 60 -7.447 7.760 10.856 1.00 0.00 O ATOM 0 H SER A 60 -4.233 9.100 10.182 1.00 0.00 H new ATOM 0 HA SER A 60 -5.613 6.609 9.773 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.256 9.374 10.377 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.272 8.786 9.076 1.00 0.00 H new ATOM 0 HG SER A 60 -8.176 8.336 11.167 1.00 0.00 H new ATOM 844 N ALA A 61 -5.602 6.371 7.331 1.00 0.00 N ATOM 845 CA ALA A 61 -5.629 6.184 5.890 1.00 0.00 C ATOM 846 C ALA A 61 -7.082 6.109 5.418 1.00 0.00 C ATOM 847 O ALA A 61 -7.379 5.473 4.408 1.00 0.00 O ATOM 848 CB ALA A 61 -4.832 4.931 5.523 1.00 0.00 C ATOM 0 H ALA A 61 -5.663 5.510 7.874 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.161 7.028 5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.852 4.791 4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.800 5.046 5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.275 4.062 6.010 1.00 0.00 H new ATOM 854 N GLN A 62 -7.951 6.769 6.170 1.00 0.00 N ATOM 855 CA GLN A 62 -9.366 6.786 5.841 1.00 0.00 C ATOM 856 C GLN A 62 -9.664 7.901 4.837 1.00 0.00 C ATOM 857 O GLN A 62 -10.317 7.668 3.821 1.00 0.00 O ATOM 858 CB GLN A 62 -10.220 6.940 7.101 1.00 0.00 C ATOM 859 CG GLN A 62 -10.976 5.647 7.412 1.00 0.00 C ATOM 860 CD GLN A 62 -12.410 5.709 6.881 1.00 0.00 C ATOM 861 OE1 GLN A 62 -13.317 6.208 7.526 1.00 0.00 O ATOM 862 NE2 GLN A 62 -12.562 5.175 5.672 1.00 0.00 N ATOM 0 H GLN A 62 -7.702 7.296 7.007 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.624 5.832 5.382 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.584 7.206 7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.929 7.757 6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.455 4.800 6.965 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.990 5.480 8.489 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.759 4.774 5.187 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.481 5.167 5.230 1.00 0.00 H new ATOM 871 N GLY A 63 -9.171 9.088 5.156 1.00 0.00 N ATOM 872 CA GLY A 63 -9.376 10.240 4.294 1.00 0.00 C ATOM 873 C GLY A 63 -8.070 10.658 3.616 1.00 0.00 C ATOM 874 O GLY A 63 -7.720 11.837 3.607 1.00 0.00 O ATOM 0 H GLY A 63 -8.630 9.277 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.123 10.003 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.768 11.072 4.880 1.00 0.00 H new ATOM 878 N MET A 64 -7.384 9.667 3.064 1.00 0.00 N ATOM 879 CA MET A 64 -6.124 9.917 2.385 1.00 0.00 C ATOM 880 C MET A 64 -6.119 9.289 0.990 1.00 0.00 C ATOM 881 O MET A 64 -6.530 8.143 0.820 1.00 0.00 O ATOM 882 CB MET A 64 -4.975 9.335 3.211 1.00 0.00 C ATOM 883 CG MET A 64 -4.682 10.207 4.434 1.00 0.00 C ATOM 884 SD MET A 64 -2.920 10.341 4.681 1.00 0.00 S ATOM 885 CE MET A 64 -2.553 8.675 5.208 1.00 0.00 C ATOM 0 H MET A 64 -7.677 8.690 3.073 1.00 0.00 H new ATOM 0 HA MET A 64 -5.998 10.994 2.278 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.229 8.325 3.533 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.081 9.257 2.593 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.114 11.198 4.296 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.150 9.775 5.319 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.591 8.659 5.720 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.331 8.329 5.888 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.513 8.019 4.339 1.00 0.00 H new ATOM 895 N THR A 65 -5.650 10.069 0.027 1.00 0.00 N ATOM 896 CA THR A 65 -5.586 9.604 -1.348 1.00 0.00 C ATOM 897 C THR A 65 -4.438 8.607 -1.521 1.00 0.00 C ATOM 898 O THR A 65 -3.629 8.422 -0.613 1.00 0.00 O ATOM 899 CB THR A 65 -5.469 10.829 -2.257 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.394 11.577 -1.695 1.00 0.00 O ATOM 901 CG2 THR A 65 -6.675 11.763 -2.139 1.00 0.00 C ATOM 0 H THR A 65 -5.311 11.020 0.172 1.00 0.00 H new ATOM 0 HA THR A 65 -6.490 9.062 -1.624 1.00 0.00 H new ATOM 0 HB THR A 65 -5.362 10.504 -3.292 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.248 12.389 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.541 12.616 -2.805 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.581 11.224 -2.417 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.763 12.115 -1.111 1.00 0.00 H new ATOM 909 N HIS A 66 -4.403 7.991 -2.694 1.00 0.00 N ATOM 910 CA HIS A 66 -3.368 7.018 -2.998 1.00 0.00 C ATOM 911 C HIS A 66 -1.991 7.648 -2.777 1.00 0.00 C ATOM 912 O HIS A 66 -1.170 7.108 -2.037 1.00 0.00 O ATOM 913 CB HIS A 66 -3.545 6.460 -4.412 1.00 0.00 C ATOM 914 CG HIS A 66 -2.889 5.118 -4.628 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.138 4.823 -5.753 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.878 3.995 -3.854 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.701 3.577 -5.649 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.161 3.065 -4.472 1.00 0.00 N ATOM 0 H HIS A 66 -5.075 8.147 -3.445 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.453 6.168 -2.321 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.610 6.371 -4.626 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.135 7.173 -5.127 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -1.953 5.457 -6.530 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.370 3.882 -2.899 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.088 3.057 -6.370 1.00 0.00 H new ATOM 926 N LEU A 67 -1.782 8.780 -3.431 1.00 0.00 N ATOM 927 CA LEU A 67 -0.519 9.489 -3.316 1.00 0.00 C ATOM 928 C LEU A 67 -0.249 9.805 -1.843 1.00 0.00 C ATOM 929 O LEU A 67 0.854 9.580 -1.348 1.00 0.00 O ATOM 930 CB LEU A 67 -0.512 10.723 -4.220 1.00 0.00 C ATOM 931 CG LEU A 67 -0.001 12.018 -3.585 1.00 0.00 C ATOM 932 CD1 LEU A 67 -1.031 12.594 -2.611 1.00 0.00 C ATOM 933 CD2 LEU A 67 1.359 11.802 -2.919 1.00 0.00 C ATOM 0 H LEU A 67 -2.466 9.225 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 67 0.302 8.863 -3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.101 10.504 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.528 10.893 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 67 0.141 12.754 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.643 13.514 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.957 12.808 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.228 11.871 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.700 12.738 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.267 11.044 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.081 11.470 -3.665 1.00 0.00 H new ATOM 945 N GLU A 68 -1.276 10.322 -1.184 1.00 0.00 N ATOM 946 CA GLU A 68 -1.164 10.671 0.222 1.00 0.00 C ATOM 947 C GLU A 68 -0.512 9.527 1.002 1.00 0.00 C ATOM 948 O GLU A 68 0.521 9.717 1.642 1.00 0.00 O ATOM 949 CB GLU A 68 -2.531 11.026 0.810 1.00 0.00 C ATOM 950 CG GLU A 68 -2.971 12.423 0.368 1.00 0.00 C ATOM 951 CD GLU A 68 -2.299 13.504 1.217 1.00 0.00 C ATOM 952 OE1 GLU A 68 -2.643 13.579 2.416 1.00 0.00 O ATOM 953 OE2 GLU A 68 -1.456 14.231 0.647 1.00 0.00 O ATOM 0 H GLU A 68 -2.190 10.508 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.529 11.553 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.270 10.290 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.485 10.982 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.720 12.572 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.054 12.511 0.452 1.00 0.00 H new ATOM 960 N ALA A 69 -1.144 8.365 0.924 1.00 0.00 N ATOM 961 CA ALA A 69 -0.638 7.191 1.615 1.00 0.00 C ATOM 962 C ALA A 69 0.779 6.886 1.125 1.00 0.00 C ATOM 963 O ALA A 69 1.676 6.634 1.927 1.00 0.00 O ATOM 964 CB ALA A 69 -1.596 6.018 1.395 1.00 0.00 C ATOM 0 H ALA A 69 -2.001 8.211 0.393 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.583 7.371 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.217 5.137 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.581 6.274 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.673 5.807 0.329 1.00 0.00 H new ATOM 970 N GLN A 70 0.936 6.920 -0.190 1.00 0.00 N ATOM 971 CA GLN A 70 2.229 6.651 -0.797 1.00 0.00 C ATOM 972 C GLN A 70 3.286 7.606 -0.239 1.00 0.00 C ATOM 973 O GLN A 70 4.422 7.204 0.009 1.00 0.00 O ATOM 974 CB GLN A 70 2.150 6.751 -2.321 1.00 0.00 C ATOM 975 CG GLN A 70 1.144 5.746 -2.886 1.00 0.00 C ATOM 976 CD GLN A 70 1.820 4.783 -3.864 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.982 4.923 -4.209 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.030 3.802 -4.291 1.00 0.00 N ATOM 0 H GLN A 70 0.189 7.130 -0.852 1.00 0.00 H new ATOM 0 HA GLN A 70 2.521 5.631 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.860 7.762 -2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.134 6.567 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.691 5.183 -2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.339 6.278 -3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.066 3.743 -3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.388 3.108 -4.948 1.00 0.00 H new ATOM 987 N ASN A 71 2.875 8.853 -0.057 1.00 0.00 N ATOM 988 CA ASN A 71 3.772 9.868 0.468 1.00 0.00 C ATOM 989 C ASN A 71 4.297 9.421 1.834 1.00 0.00 C ATOM 990 O ASN A 71 5.503 9.445 2.077 1.00 0.00 O ATOM 991 CB ASN A 71 3.047 11.202 0.653 1.00 0.00 C ATOM 992 CG ASN A 71 3.547 12.242 -0.351 1.00 0.00 C ATOM 993 OD1 ASN A 71 2.619 13.114 -0.734 1.00 0.00 O flip ATOM 994 ND2 ASN A 71 4.700 12.253 -0.750 1.00 0.00 N flip ATOM 0 H ASN A 71 1.932 9.183 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 71 4.588 9.997 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.974 11.057 0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.203 11.567 1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.362 11.553 -0.415 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.002 12.962 -1.419 1.00 0.00 H new ATOM 1001 N LYS A 72 3.367 9.025 2.689 1.00 0.00 N ATOM 1002 CA LYS A 72 3.721 8.574 4.025 1.00 0.00 C ATOM 1003 C LYS A 72 4.759 7.456 3.922 1.00 0.00 C ATOM 1004 O LYS A 72 5.888 7.607 4.387 1.00 0.00 O ATOM 1005 CB LYS A 72 2.467 8.179 4.807 1.00 0.00 C ATOM 1006 CG LYS A 72 1.754 9.414 5.361 1.00 0.00 C ATOM 1007 CD LYS A 72 2.508 9.990 6.561 1.00 0.00 C ATOM 1008 CE LYS A 72 2.832 8.897 7.582 1.00 0.00 C ATOM 1009 NZ LYS A 72 4.141 8.276 7.279 1.00 0.00 N ATOM 0 H LYS A 72 2.368 9.007 2.483 1.00 0.00 H new ATOM 0 HA LYS A 72 4.180 9.384 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.789 7.624 4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.740 7.514 5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.672 10.171 4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.739 9.150 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.431 10.462 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.907 10.767 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.848 9.322 8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.051 8.137 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.997 7.288 6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.604 8.801 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.742 8.302 8.127 1.00 0.00 H new ATOM 1023 N ILE A 73 4.341 6.358 3.309 1.00 0.00 N ATOM 1024 CA ILE A 73 5.221 5.214 3.139 1.00 0.00 C ATOM 1025 C ILE A 73 6.587 5.696 2.646 1.00 0.00 C ATOM 1026 O ILE A 73 7.616 5.124 3.000 1.00 0.00 O ATOM 1027 CB ILE A 73 4.572 4.169 2.230 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.275 3.638 2.843 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.554 3.043 1.900 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.104 3.795 1.872 1.00 0.00 C ATOM 0 H ILE A 73 3.404 6.236 2.924 1.00 0.00 H new ATOM 0 HA ILE A 73 5.385 4.714 4.094 1.00 0.00 H new ATOM 0 HB ILE A 73 4.308 4.652 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.396 2.587 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.060 4.174 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.067 2.314 1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.424 3.457 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.871 2.555 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.195 3.410 2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.970 4.850 1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.312 3.238 0.958 1.00 0.00 H new ATOM 1042 N LYS A 74 6.552 6.744 1.835 1.00 0.00 N ATOM 1043 CA LYS A 74 7.774 7.309 1.290 1.00 0.00 C ATOM 1044 C LYS A 74 8.660 7.800 2.436 1.00 0.00 C ATOM 1045 O LYS A 74 9.836 7.448 2.512 1.00 0.00 O ATOM 1046 CB LYS A 74 7.450 8.390 0.257 1.00 0.00 C ATOM 1047 CG LYS A 74 8.302 8.218 -1.003 1.00 0.00 C ATOM 1048 CD LYS A 74 8.088 9.382 -1.973 1.00 0.00 C ATOM 1049 CE LYS A 74 7.036 9.030 -3.027 1.00 0.00 C ATOM 1050 NZ LYS A 74 7.581 9.230 -4.389 1.00 0.00 N ATOM 0 H LYS A 74 5.696 7.216 1.543 1.00 0.00 H new ATOM 0 HA LYS A 74 8.340 6.547 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.393 8.342 -0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.627 9.375 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.355 8.158 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.046 7.279 -1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.773 10.267 -1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.030 9.630 -2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.721 7.994 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.151 9.651 -2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.855 8.987 -5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.860 10.225 -4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.412 8.619 -4.524 1.00 0.00 H new ATOM 1064 N ALA A 75 8.061 8.606 3.301 1.00 0.00 N ATOM 1065 CA ALA A 75 8.781 9.149 4.440 1.00 0.00 C ATOM 1066 C ALA A 75 9.400 8.002 5.241 1.00 0.00 C ATOM 1067 O ALA A 75 10.513 8.125 5.750 1.00 0.00 O ATOM 1068 CB ALA A 75 7.833 10.004 5.283 1.00 0.00 C ATOM 0 H ALA A 75 7.085 8.896 3.236 1.00 0.00 H new ATOM 0 HA ALA A 75 9.594 9.795 4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.373 10.411 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.444 10.822 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.005 9.389 5.637 1.00 0.00 H new ATOM 1106 N SER A 79 11.427 1.319 9.015 1.00 0.00 N ATOM 1107 CA SER A 79 10.368 0.325 9.025 1.00 0.00 C ATOM 1108 C SER A 79 9.022 0.991 8.733 1.00 0.00 C ATOM 1109 O SER A 79 8.896 2.211 8.826 1.00 0.00 O ATOM 1110 CB SER A 79 10.317 -0.412 10.364 1.00 0.00 C ATOM 1111 OG SER A 79 10.653 0.440 11.456 1.00 0.00 O ATOM 0 HA SER A 79 10.579 -0.408 8.246 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.317 -0.819 10.516 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.005 -1.257 10.339 1.00 0.00 H new ATOM 0 HG SER A 79 11.099 1.245 11.118 1.00 0.00 H new ATOM 1117 N LEU A 80 8.050 0.160 8.386 1.00 0.00 N ATOM 1118 CA LEU A 80 6.718 0.654 8.080 1.00 0.00 C ATOM 1119 C LEU A 80 5.729 0.116 9.117 1.00 0.00 C ATOM 1120 O LEU A 80 5.643 -1.092 9.330 1.00 0.00 O ATOM 1121 CB LEU A 80 6.339 0.316 6.637 1.00 0.00 C ATOM 1122 CG LEU A 80 5.204 1.143 6.030 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.633 2.597 5.827 1.00 0.00 C ATOM 1124 CD2 LEU A 80 4.697 0.508 4.734 1.00 0.00 C ATOM 0 H LEU A 80 8.158 -0.851 8.310 1.00 0.00 H new ATOM 0 HA LEU A 80 6.691 1.742 8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.224 0.437 6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.059 -0.736 6.593 1.00 0.00 H new ATOM 0 HG LEU A 80 4.371 1.149 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.808 3.163 5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.908 3.033 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.490 2.633 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.891 1.115 4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.513 0.451 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.326 -0.496 4.941 1.00 0.00 H new ATOM 1136 N ASN A 81 5.009 1.040 9.735 1.00 0.00 N ATOM 1137 CA ASN A 81 4.029 0.674 10.745 1.00 0.00 C ATOM 1138 C ASN A 81 2.629 1.037 10.246 1.00 0.00 C ATOM 1139 O ASN A 81 2.258 2.209 10.226 1.00 0.00 O ATOM 1140 CB ASN A 81 4.276 1.431 12.051 1.00 0.00 C ATOM 1141 CG ASN A 81 4.967 0.535 13.082 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.378 0.102 14.059 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.244 0.284 12.811 1.00 0.00 N ATOM 0 H ASN A 81 5.084 2.041 9.556 1.00 0.00 H new ATOM 0 HA ASN A 81 4.116 -0.397 10.927 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.892 2.309 11.856 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.328 1.790 12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.793 -0.303 13.439 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.675 0.679 11.975 1.00 0.00 H new ATOM 1150 N MET A 82 1.891 0.009 9.855 1.00 0.00 N ATOM 1151 CA MET A 82 0.539 0.204 9.358 1.00 0.00 C ATOM 1152 C MET A 82 -0.418 -0.832 9.949 1.00 0.00 C ATOM 1153 O MET A 82 0.018 -1.818 10.542 1.00 0.00 O ATOM 1154 CB MET A 82 0.536 0.091 7.832 1.00 0.00 C ATOM 1155 CG MET A 82 1.649 0.941 7.216 1.00 0.00 C ATOM 1156 SD MET A 82 1.479 0.975 5.440 1.00 0.00 S ATOM 1157 CE MET A 82 1.723 -0.755 5.072 1.00 0.00 C ATOM 0 H MET A 82 2.203 -0.962 9.872 1.00 0.00 H new ATOM 0 HA MET A 82 0.201 1.195 9.659 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.666 -0.951 7.541 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.430 0.412 7.442 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.606 1.955 7.613 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.622 0.533 7.489 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.897 -0.879 4.003 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.586 -1.127 5.625 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.836 -1.317 5.363 1.00 0.00 H new ATOM 1167 N THR A 83 -1.705 -0.574 9.767 1.00 0.00 N ATOM 1168 CA THR A 83 -2.727 -1.473 10.276 1.00 0.00 C ATOM 1169 C THR A 83 -3.552 -2.049 9.123 1.00 0.00 C ATOM 1170 O THR A 83 -3.765 -1.380 8.112 1.00 0.00 O ATOM 1171 CB THR A 83 -3.567 -0.704 11.298 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.608 0.042 12.043 1.00 0.00 O ATOM 1173 CG2 THR A 83 -4.212 -1.623 12.336 1.00 0.00 C ATOM 0 H THR A 83 -2.063 0.244 9.274 1.00 0.00 H new ATOM 0 HA THR A 83 -2.283 -2.332 10.779 1.00 0.00 H new ATOM 0 HB THR A 83 -4.343 -0.141 10.780 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.341 0.834 11.532 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.796 -1.027 13.037 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.865 -2.337 11.834 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.435 -2.162 12.878 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.994 -3.283 9.313 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.790 -3.957 8.301 1.00 0.00 C ATOM 1183 C LEU A 84 -6.174 -4.271 8.873 1.00 0.00 C ATOM 1184 O LEU A 84 -6.353 -4.308 10.090 1.00 0.00 O ATOM 1185 CB LEU A 84 -4.052 -5.187 7.769 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.543 -5.030 7.572 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.876 -6.387 7.335 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.237 -4.038 6.448 1.00 0.00 C ATOM 0 H LEU A 84 -3.816 -3.834 10.153 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.940 -3.306 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.224 -6.015 8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.496 -5.468 6.814 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.120 -4.619 8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.804 -6.246 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.050 -7.033 8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.298 -6.849 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.158 -3.945 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.675 -4.397 5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.660 -3.065 6.697 1.00 0.00 H new ATOM 1200 N GLN A 85 -7.118 -4.488 7.969 1.00 0.00 N ATOM 1201 CA GLN A 85 -8.480 -4.797 8.369 1.00 0.00 C ATOM 1202 C GLN A 85 -8.799 -6.265 8.078 1.00 0.00 C ATOM 1203 O GLN A 85 -8.683 -6.715 6.939 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.479 -3.871 7.673 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.907 -4.405 7.805 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.919 -3.413 7.229 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -11.620 -2.258 6.975 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -13.131 -3.926 7.039 1.00 0.00 N ATOM 0 H GLN A 85 -6.966 -4.456 6.961 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.569 -4.632 9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.419 -2.873 8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.219 -3.776 6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.992 -5.359 7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.133 -4.593 8.855 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -13.314 -4.902 7.273 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.877 -3.344 6.659 1.00 0.00 H new ATOM 1217 N ARG A 86 -9.194 -6.971 9.127 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.530 -8.378 8.998 1.00 0.00 C ATOM 1219 C ARG A 86 -10.938 -8.537 8.420 1.00 0.00 C ATOM 1220 O ARG A 86 -11.913 -8.088 9.020 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.459 -9.088 10.352 1.00 0.00 C ATOM 1222 CG ARG A 86 -8.022 -9.495 10.683 1.00 0.00 C ATOM 1223 CD ARG A 86 -7.096 -8.277 10.697 1.00 0.00 C ATOM 1224 NE ARG A 86 -5.729 -8.685 11.092 1.00 0.00 N ATOM 1225 CZ ARG A 86 -5.385 -9.053 12.334 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -6.305 -9.068 13.308 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -4.121 -9.408 12.601 1.00 0.00 N ATOM 0 H ARG A 86 -9.289 -6.595 10.070 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.803 -8.832 8.324 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.843 -8.431 11.132 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.097 -9.972 10.337 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.995 -9.988 11.655 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.667 -10.218 9.949 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.075 -7.814 9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.476 -7.529 11.392 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.004 -8.686 10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.268 -8.799 13.104 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.043 -9.348 14.253 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.421 -9.398 11.859 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.859 -9.688 13.546 1.00 0.00 H new