USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 789 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 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 THR OG1 : rot 130:sc= 0 USER MOD Set 2.1: A 79 HIS : no HD1:sc= 0.276 K(o=0.6,f=-0.0029) USER MOD Set 2.2: A 100 LYS NZ :NH3+ 153:sc= 0.324 (180deg=0) USER MOD Set 3.1: A 66 TYR OH : rot 0:sc= 1.22 USER MOD Set 3.2: A 70 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.18) USER MOD Set 4.1: A 51 LYS NZ :NH3+ -159:sc= 1.74 (180deg=1.2) USER MOD Set 4.2: A 53 THR OG1 : rot 100:sc= 0.637 USER MOD Single : A 0 MET CE :methyl 159:sc= 0 (180deg=-0.263) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -8 PHE N :NH3+ -142:sc= 0 (180deg=-0.47) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0.285 (180deg=0.285) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000936) USER MOD Single : A 46 SER OG : rot -65:sc= 1.26 USER MOD Single : A 50 GLN : amide:sc= 0.818 K(o=0.82,f=-0.033) USER MOD Single : A 54 TYR OH : rot 141:sc= 0.588 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.244 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= 0.176 (180deg=0.115) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00585 X(o=-0.0059,f=-0.35) USER MOD Single : A 68 MET CE :methyl -166:sc= -0.0488 (180deg=-0.617) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.07) USER MOD Single : A 77 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 78 GLN : amide:sc= 0.793 K(o=0.79,f=-0.17) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 70:sc= 0.62 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc=-0.00512 USER MOD Single : A 102 HIS : no HE2:sc= 1.11 K(o=1.1,f=-10!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -20:sc= 1.22 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -126:sc= -0.579 (180deg=-0.733) USER MOD Single : A 109 MET CE :methyl -146:sc= -0.0417 (180deg=-1.23) USER MOD Single : A 111 SER OG : rot 74:sc= 0.0484 USER MOD Single : A 112 MET CE :methyl -177:sc= -0.473 (180deg=-0.498) USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A -8 -1.147 -3.629 12.934 1.00 0.00 N ATOM 59 CA PHE A -8 -1.146 -3.410 11.486 1.00 0.00 C ATOM 60 C PHE A -8 -0.211 -4.309 10.668 1.00 0.00 C ATOM 61 O PHE A -8 -0.629 -4.922 9.686 1.00 0.00 O ATOM 62 CB PHE A -8 -0.934 -1.919 11.158 1.00 0.00 C ATOM 63 CG PHE A -8 -0.587 -1.662 9.701 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.615 -1.587 8.744 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.759 -1.594 9.288 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.299 -1.464 7.380 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.073 -1.479 7.922 1.00 0.00 C ATOM 68 CZ PHE A -8 0.044 -1.420 6.969 1.00 0.00 C ATOM 0 H1 PHE A -8 -2.115 -3.525 13.300 1.00 0.00 H new ATOM 0 H2 PHE A -8 -0.800 -4.587 13.140 1.00 0.00 H new ATOM 0 H3 PHE A -8 -0.527 -2.930 13.391 1.00 0.00 H new ATOM 0 HA PHE A -8 -2.140 -3.718 11.163 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.840 -1.367 11.410 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.136 -1.527 11.788 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.648 -1.624 9.057 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.551 -1.630 10.022 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.090 -1.403 6.647 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.105 -1.436 7.606 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.285 -1.341 5.919 1.00 0.00 H new ATOM 78 N TRP A -7 1.055 -4.409 11.090 1.00 0.00 N ATOM 79 CA TRP A -7 2.083 -5.103 10.313 1.00 0.00 C ATOM 80 C TRP A -7 1.878 -6.621 10.243 1.00 0.00 C ATOM 81 O TRP A -7 2.171 -7.223 9.215 1.00 0.00 O ATOM 82 CB TRP A -7 3.478 -4.717 10.816 1.00 0.00 C ATOM 83 CG TRP A -7 4.616 -5.403 10.118 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.246 -6.517 10.555 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.087 -5.207 8.744 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.151 -6.951 9.605 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.081 -6.191 8.458 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.770 -4.300 7.706 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.745 -6.259 7.224 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.436 -4.356 6.463 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.419 -5.332 6.220 1.00 0.00 C ATOM 0 H TRP A -7 1.391 -4.016 11.969 1.00 0.00 H new ATOM 0 HA TRP A -7 1.989 -4.768 9.280 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.602 -3.639 10.708 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.538 -4.939 11.881 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.068 -6.997 11.506 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.790 -7.735 9.736 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.007 -3.553 7.867 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.497 -7.014 7.048 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.188 -3.643 5.691 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.922 -5.369 5.265 1.00 0.00 H new ATOM 102 N GLU A -6 1.292 -7.244 11.270 1.00 0.00 N ATOM 103 CA GLU A -6 0.919 -8.668 11.219 1.00 0.00 C ATOM 104 C GLU A -6 -0.176 -8.927 10.169 1.00 0.00 C ATOM 105 O GLU A -6 -0.082 -9.882 9.396 1.00 0.00 O ATOM 106 CB GLU A -6 0.466 -9.161 12.602 1.00 0.00 C ATOM 107 CG GLU A -6 1.585 -9.073 13.654 1.00 0.00 C ATOM 108 CD GLU A -6 1.233 -9.753 14.996 1.00 0.00 C ATOM 109 OE1 GLU A -6 0.069 -10.167 15.219 1.00 0.00 O ATOM 110 OE2 GLU A -6 2.140 -9.876 15.856 1.00 0.00 O ATOM 0 H GLU A -6 1.063 -6.785 12.152 1.00 0.00 H new ATOM 0 HA GLU A -6 1.805 -9.230 10.922 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.387 -8.569 12.934 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.126 -10.194 12.523 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.487 -9.532 13.250 1.00 0.00 H new ATOM 0 HG3 GLU A -6 1.816 -8.024 13.838 1.00 0.00 H new ATOM 117 N TYR A -5 -1.177 -8.040 10.080 1.00 0.00 N ATOM 118 CA TYR A -5 -2.152 -8.031 8.986 1.00 0.00 C ATOM 119 C TYR A -5 -1.589 -7.757 7.588 1.00 0.00 C ATOM 120 O TYR A -5 -1.950 -8.420 6.615 1.00 0.00 O ATOM 121 CB TYR A -5 -3.360 -7.140 9.313 1.00 0.00 C ATOM 122 CG TYR A -5 -4.387 -7.793 10.213 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.383 -8.610 9.644 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.351 -7.588 11.606 1.00 0.00 C ATOM 125 CE1 TYR A -5 -6.349 -9.217 10.468 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.322 -8.189 12.432 1.00 0.00 C ATOM 127 CZ TYR A -5 -6.328 -9.001 11.862 1.00 0.00 C ATOM 128 OH TYR A -5 -7.283 -9.575 12.646 1.00 0.00 O ATOM 0 H TYR A -5 -1.332 -7.305 10.770 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.491 -9.065 8.922 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -3.005 -6.226 9.789 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.844 -6.847 8.381 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.405 -8.771 8.576 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.579 -6.970 12.041 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -7.108 -9.850 10.032 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -5.297 -8.029 13.500 1.00 0.00 H new ATOM 0 HH TYR A -5 -7.128 -9.330 13.582 1.00 0.00 H new ATOM 138 N TRP A -4 -0.665 -6.799 7.495 1.00 0.00 N ATOM 139 CA TRP A -4 -0.028 -6.407 6.238 1.00 0.00 C ATOM 140 C TRP A -4 0.920 -7.497 5.719 1.00 0.00 C ATOM 141 O TRP A -4 0.940 -7.784 4.525 1.00 0.00 O ATOM 142 CB TRP A -4 0.723 -5.091 6.452 1.00 0.00 C ATOM 143 CG TRP A -4 1.126 -4.461 5.163 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.253 -4.739 4.471 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.258 -3.740 4.235 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.181 -4.148 3.227 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.955 -3.564 3.007 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.063 -3.250 4.298 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.378 -2.936 1.897 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.655 -2.614 3.193 1.00 0.00 C ATOM 151 CH2 TRP A -4 -0.942 -2.459 1.991 1.00 0.00 C ATOM 0 H TRP A -4 -0.335 -6.268 8.301 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.799 -6.272 5.480 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.092 -4.400 7.011 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.610 -5.274 7.059 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.080 -5.331 4.835 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.945 -4.144 2.551 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.629 -3.365 5.210 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.938 -2.819 0.981 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.666 -2.241 3.268 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.406 -1.976 1.144 1.00 0.00 H new ATOM 162 N LEU A -3 1.656 -8.176 6.601 1.00 0.00 N ATOM 163 CA LEU A -3 2.489 -9.326 6.244 1.00 0.00 C ATOM 164 C LEU A -3 1.645 -10.515 5.743 1.00 0.00 C ATOM 165 O LEU A -3 2.072 -11.256 4.858 1.00 0.00 O ATOM 166 CB LEU A -3 3.346 -9.695 7.469 1.00 0.00 C ATOM 167 CG LEU A -3 4.504 -10.655 7.152 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.639 -9.917 6.436 1.00 0.00 C ATOM 169 CD2 LEU A -3 5.062 -11.243 8.447 1.00 0.00 C ATOM 0 H LEU A -3 1.691 -7.941 7.593 1.00 0.00 H new ATOM 0 HA LEU A -3 3.141 -9.063 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.753 -8.782 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.706 -10.151 8.224 1.00 0.00 H new ATOM 0 HG LEU A -3 4.117 -11.446 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.448 -10.615 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.267 -9.495 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A -3 6.011 -9.115 7.074 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.882 -11.922 8.214 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.427 -10.438 9.084 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.275 -11.789 8.967 1.00 0.00 H new ATOM 181 N ARG A -2 0.410 -10.656 6.246 1.00 0.00 N ATOM 182 CA ARG A -2 -0.549 -11.695 5.834 1.00 0.00 C ATOM 183 C ARG A -2 -0.983 -11.559 4.376 1.00 0.00 C ATOM 184 O ARG A -2 -1.229 -12.576 3.729 1.00 0.00 O ATOM 185 CB ARG A -2 -1.759 -11.705 6.786 1.00 0.00 C ATOM 186 CG ARG A -2 -1.824 -12.973 7.646 1.00 0.00 C ATOM 187 CD ARG A -2 -2.096 -14.264 6.855 1.00 0.00 C ATOM 188 NE ARG A -2 -3.413 -14.237 6.186 1.00 0.00 N ATOM 189 CZ ARG A -2 -4.223 -15.252 5.957 1.00 0.00 C ATOM 190 NH1 ARG A -2 -3.913 -16.485 6.250 1.00 0.00 N ATOM 191 NH2 ARG A -2 -5.383 -15.028 5.417 1.00 0.00 N ATOM 0 H ARG A -2 0.040 -10.037 6.967 1.00 0.00 H new ATOM 0 HA ARG A -2 -0.038 -12.656 5.903 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.712 -10.832 7.436 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.676 -11.619 6.203 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -0.882 -13.082 8.183 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.605 -12.849 8.396 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -1.313 -14.404 6.109 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -2.050 -15.119 7.530 1.00 0.00 H new ATOM 0 HE ARG A -2 -3.734 -13.324 5.863 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -3.010 -16.697 6.675 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -4.573 -17.237 6.054 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -5.658 -14.076 5.175 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -6.019 -15.804 5.235 1.00 0.00 H new ATOM 205 N LEU A -1 -0.988 -10.336 3.841 1.00 0.00 N ATOM 206 CA LEU A -1 -1.172 -10.082 2.407 1.00 0.00 C ATOM 207 C LEU A -1 -0.111 -10.811 1.571 1.00 0.00 C ATOM 208 O LEU A -1 -0.458 -11.550 0.651 1.00 0.00 O ATOM 209 CB LEU A -1 -1.077 -8.578 2.093 1.00 0.00 C ATOM 210 CG LEU A -1 -2.145 -7.671 2.714 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.781 -6.222 2.412 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.522 -7.940 2.116 1.00 0.00 C ATOM 0 H LEU A -1 -0.864 -9.487 4.393 1.00 0.00 H new ATOM 0 HA LEU A -1 -2.164 -10.454 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.099 -8.224 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -1.115 -8.454 1.011 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.180 -7.867 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.530 -5.560 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -0.805 -5.995 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.747 -6.073 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.255 -7.280 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.495 -7.756 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.802 -8.978 2.299 1.00 0.00 H new ATOM 224 N MET A 0 1.171 -10.607 1.887 1.00 0.00 N ATOM 225 CA MET A 0 2.280 -11.110 1.070 1.00 0.00 C ATOM 226 C MET A 0 2.599 -12.596 1.340 1.00 0.00 C ATOM 227 O MET A 0 3.092 -13.293 0.452 1.00 0.00 O ATOM 228 CB MET A 0 3.507 -10.199 1.254 1.00 0.00 C ATOM 229 CG MET A 0 4.264 -10.374 2.580 1.00 0.00 C ATOM 230 SD MET A 0 5.960 -9.737 2.582 1.00 0.00 S ATOM 231 CE MET A 0 5.631 -7.973 2.368 1.00 0.00 C ATOM 0 H MET A 0 1.469 -10.090 2.714 1.00 0.00 H new ATOM 0 HA MET A 0 1.976 -11.076 0.024 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.200 -10.381 0.433 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.183 -9.161 1.174 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.703 -9.875 3.370 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.290 -11.435 2.829 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.491 -7.398 2.711 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.451 -7.762 1.314 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.752 -7.694 2.949 1.00 0.00 H new ATOM 241 N GLU A 1 2.330 -13.086 2.554 1.00 0.00 N ATOM 242 CA GLU A 1 2.511 -14.494 2.943 1.00 0.00 C ATOM 243 C GLU A 1 1.361 -15.401 2.475 1.00 0.00 C ATOM 244 O GLU A 1 1.604 -16.530 2.041 1.00 0.00 O ATOM 245 CB GLU A 1 2.668 -14.598 4.472 1.00 0.00 C ATOM 246 CG GLU A 1 4.003 -14.044 5.002 1.00 0.00 C ATOM 247 CD GLU A 1 5.245 -14.890 4.647 1.00 0.00 C ATOM 248 OE1 GLU A 1 5.119 -16.023 4.124 1.00 0.00 O ATOM 249 OE2 GLU A 1 6.380 -14.423 4.915 1.00 0.00 O ATOM 0 H GLU A 1 1.973 -12.505 3.312 1.00 0.00 H new ATOM 0 HA GLU A 1 3.415 -14.846 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.848 -14.061 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.578 -15.644 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.143 -13.037 4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.939 -13.957 6.087 1.00 0.00 H new ATOM 678 N LEU A 33 8.875 -8.328 -12.734 1.00 0.00 N ATOM 679 CA LEU A 33 8.540 -6.898 -12.715 1.00 0.00 C ATOM 680 C LEU A 33 7.061 -6.623 -13.028 1.00 0.00 C ATOM 681 O LEU A 33 6.483 -7.219 -13.940 1.00 0.00 O ATOM 682 CB LEU A 33 9.475 -6.110 -13.653 1.00 0.00 C ATOM 683 CG LEU A 33 10.984 -6.346 -13.432 1.00 0.00 C ATOM 684 CD1 LEU A 33 11.778 -5.575 -14.486 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.454 -5.908 -12.041 1.00 0.00 C ATOM 0 HA LEU A 33 8.698 -6.548 -11.695 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.231 -6.369 -14.683 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.269 -5.046 -13.534 1.00 0.00 H new ATOM 0 HG LEU A 33 11.156 -7.419 -13.517 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.844 -5.740 -14.331 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.497 -5.923 -15.480 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.560 -4.511 -14.399 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.523 -6.097 -11.942 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.260 -4.843 -11.910 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.914 -6.471 -11.280 1.00 0.00 H new ATOM 697 N VAL A 34 6.463 -5.687 -12.283 1.00 0.00 N ATOM 698 CA VAL A 34 5.036 -5.302 -12.389 1.00 0.00 C ATOM 699 C VAL A 34 4.759 -4.041 -13.205 1.00 0.00 C ATOM 700 O VAL A 34 3.651 -3.873 -13.710 1.00 0.00 O ATOM 701 CB VAL A 34 4.374 -5.180 -10.999 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.749 -6.344 -10.091 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.737 -3.891 -10.247 1.00 0.00 C ATOM 0 H VAL A 34 6.964 -5.158 -11.569 1.00 0.00 H new ATOM 0 HA VAL A 34 4.586 -6.124 -12.946 1.00 0.00 H new ATOM 0 HB VAL A 34 3.306 -5.175 -11.217 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.263 -6.221 -9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.422 -7.280 -10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.830 -6.365 -9.955 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.233 -3.880 -9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.816 -3.850 -10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.420 -3.027 -10.831 1.00 0.00 H new ATOM 713 N ARG A 35 5.760 -3.157 -13.312 1.00 0.00 N ATOM 714 CA ARG A 35 5.675 -1.781 -13.834 1.00 0.00 C ATOM 715 C ARG A 35 4.581 -0.949 -13.121 1.00 0.00 C ATOM 716 O ARG A 35 3.488 -0.759 -13.659 1.00 0.00 O ATOM 717 CB ARG A 35 5.590 -1.805 -15.378 1.00 0.00 C ATOM 718 CG ARG A 35 5.441 -0.450 -16.101 1.00 0.00 C ATOM 719 CD ARG A 35 6.607 0.538 -15.952 1.00 0.00 C ATOM 720 NE ARG A 35 6.606 1.252 -14.655 1.00 0.00 N ATOM 721 CZ ARG A 35 7.666 1.632 -13.969 1.00 0.00 C ATOM 722 NH1 ARG A 35 8.879 1.491 -14.409 1.00 0.00 N ATOM 723 NH2 ARG A 35 7.540 2.153 -12.789 1.00 0.00 N ATOM 0 H ARG A 35 6.708 -3.395 -13.020 1.00 0.00 H new ATOM 0 HA ARG A 35 6.593 -1.244 -13.594 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.488 -2.293 -15.757 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.744 -2.432 -15.659 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.292 -0.645 -17.163 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.535 0.034 -15.736 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.548 -0.002 -16.061 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.562 1.267 -16.761 1.00 0.00 H new ATOM 0 HE ARG A 35 5.695 1.472 -14.252 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.044 1.070 -15.323 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.667 1.801 -13.840 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.613 2.273 -12.381 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.368 2.443 -12.268 1.00 0.00 H new ATOM 737 N PRO A 36 4.847 -0.451 -11.896 1.00 0.00 N ATOM 738 CA PRO A 36 3.910 0.409 -11.170 1.00 0.00 C ATOM 739 C PRO A 36 3.805 1.804 -11.805 1.00 0.00 C ATOM 740 O PRO A 36 4.760 2.273 -12.433 1.00 0.00 O ATOM 741 CB PRO A 36 4.441 0.457 -9.736 1.00 0.00 C ATOM 742 CG PRO A 36 5.938 0.209 -9.862 1.00 0.00 C ATOM 743 CD PRO A 36 6.080 -0.626 -11.134 1.00 0.00 C ATOM 0 HA PRO A 36 2.893 0.019 -11.201 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.238 1.422 -9.272 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.966 -0.302 -9.114 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.491 1.145 -9.938 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.327 -0.322 -8.993 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.943 -0.300 -11.715 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.238 -1.677 -10.891 1.00 0.00 H new ATOM 751 N LYS A 37 2.660 2.482 -11.640 1.00 0.00 N ATOM 752 CA LYS A 37 2.440 3.847 -12.165 1.00 0.00 C ATOM 753 C LYS A 37 3.358 4.886 -11.478 1.00 0.00 C ATOM 754 O LYS A 37 3.748 4.670 -10.326 1.00 0.00 O ATOM 755 CB LYS A 37 0.940 4.220 -12.098 1.00 0.00 C ATOM 756 CG LYS A 37 0.352 4.400 -10.684 1.00 0.00 C ATOM 757 CD LYS A 37 -1.076 4.990 -10.684 1.00 0.00 C ATOM 758 CE LYS A 37 -2.228 3.972 -10.692 1.00 0.00 C ATOM 759 NZ LYS A 37 -2.374 3.239 -11.978 1.00 0.00 N ATOM 0 H LYS A 37 1.856 2.103 -11.139 1.00 0.00 H new ATOM 0 HA LYS A 37 2.724 3.860 -13.217 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.791 5.146 -12.653 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.370 3.446 -12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.338 3.434 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.007 5.053 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.185 5.625 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.181 5.634 -11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.069 3.251 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.161 4.492 -10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.169 2.572 -11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.557 3.917 -12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.499 2.715 -12.180 1.00 0.00 H new ATOM 773 N PRO A 38 3.670 6.038 -12.107 1.00 0.00 N ATOM 774 CA PRO A 38 4.548 7.063 -11.519 1.00 0.00 C ATOM 775 C PRO A 38 4.074 7.603 -10.159 1.00 0.00 C ATOM 776 O PRO A 38 4.891 7.887 -9.280 1.00 0.00 O ATOM 777 CB PRO A 38 4.626 8.183 -12.565 1.00 0.00 C ATOM 778 CG PRO A 38 4.392 7.447 -13.881 1.00 0.00 C ATOM 779 CD PRO A 38 3.362 6.389 -13.490 1.00 0.00 C ATOM 0 HA PRO A 38 5.520 6.625 -11.295 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.870 8.949 -12.392 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.595 8.682 -12.549 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.015 8.113 -14.657 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.309 6.999 -14.264 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.347 6.777 -13.580 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.429 5.517 -14.141 1.00 0.00 H new ATOM 787 N LEU A 39 2.754 7.683 -9.949 1.00 0.00 N ATOM 788 CA LEU A 39 2.141 8.072 -8.672 1.00 0.00 C ATOM 789 C LEU A 39 2.464 7.083 -7.534 1.00 0.00 C ATOM 790 O LEU A 39 2.649 7.491 -6.388 1.00 0.00 O ATOM 791 CB LEU A 39 0.622 8.196 -8.908 1.00 0.00 C ATOM 792 CG LEU A 39 -0.175 8.807 -7.741 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.077 10.313 -7.637 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.673 8.593 -7.959 1.00 0.00 C ATOM 0 H LEU A 39 2.069 7.475 -10.676 1.00 0.00 H new ATOM 0 HA LEU A 39 2.555 9.026 -8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.457 8.804 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.221 7.205 -9.121 1.00 0.00 H new ATOM 0 HG LEU A 39 0.152 8.315 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.497 10.721 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.139 10.493 -7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.231 10.798 -8.563 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.228 9.029 -7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.977 9.072 -8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.884 7.525 -8.015 1.00 0.00 H new ATOM 806 N LEU A 40 2.576 5.787 -7.850 1.00 0.00 N ATOM 807 CA LEU A 40 2.990 4.750 -6.905 1.00 0.00 C ATOM 808 C LEU A 40 4.501 4.782 -6.674 1.00 0.00 C ATOM 809 O LEU A 40 4.952 4.722 -5.535 1.00 0.00 O ATOM 810 CB LEU A 40 2.519 3.373 -7.407 1.00 0.00 C ATOM 811 CG LEU A 40 2.866 2.210 -6.458 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.274 2.414 -5.062 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.326 0.888 -7.006 1.00 0.00 C ATOM 0 H LEU A 40 2.378 5.427 -8.784 1.00 0.00 H new ATOM 0 HA LEU A 40 2.521 4.943 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.439 3.400 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.967 3.180 -8.382 1.00 0.00 H new ATOM 0 HG LEU A 40 3.953 2.183 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.543 1.571 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.668 3.334 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.189 2.482 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.581 0.079 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.242 0.951 -7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.769 0.691 -7.982 1.00 0.00 H new ATOM 825 N LEU A 41 5.285 4.946 -7.740 1.00 0.00 N ATOM 826 CA LEU A 41 6.739 5.093 -7.651 1.00 0.00 C ATOM 827 C LEU A 41 7.148 6.258 -6.730 1.00 0.00 C ATOM 828 O LEU A 41 8.044 6.094 -5.903 1.00 0.00 O ATOM 829 CB LEU A 41 7.295 5.220 -9.078 1.00 0.00 C ATOM 830 CG LEU A 41 8.805 5.493 -9.154 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.635 4.410 -8.460 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.231 5.561 -10.620 1.00 0.00 C ATOM 0 H LEU A 41 4.928 4.981 -8.695 1.00 0.00 H new ATOM 0 HA LEU A 41 7.176 4.211 -7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.077 4.301 -9.622 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.767 6.025 -9.589 1.00 0.00 H new ATOM 0 HG LEU A 41 8.987 6.437 -8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.694 4.653 -8.544 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.357 4.358 -7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.445 3.447 -8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.302 5.755 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.006 4.613 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.689 6.364 -11.120 1.00 0.00 H new ATOM 844 N LYS A 42 6.436 7.392 -6.785 1.00 0.00 N ATOM 845 CA LYS A 42 6.588 8.509 -5.835 1.00 0.00 C ATOM 846 C LYS A 42 6.391 8.064 -4.378 1.00 0.00 C ATOM 847 O LYS A 42 7.202 8.413 -3.520 1.00 0.00 O ATOM 848 CB LYS A 42 5.586 9.611 -6.226 1.00 0.00 C ATOM 849 CG LYS A 42 5.622 10.848 -5.307 1.00 0.00 C ATOM 850 CD LYS A 42 4.413 11.770 -5.519 1.00 0.00 C ATOM 851 CE LYS A 42 4.322 12.298 -6.953 1.00 0.00 C ATOM 852 NZ LYS A 42 3.280 13.351 -7.090 1.00 0.00 N ATOM 0 H LYS A 42 5.728 7.564 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 42 7.607 8.892 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.789 9.926 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.580 9.193 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.650 10.524 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.539 11.408 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.499 11.227 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.476 12.611 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.289 12.702 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.097 11.474 -7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.249 13.683 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.353 12.959 -6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.508 14.149 -6.463 1.00 0.00 H new ATOM 866 N LEU A 43 5.353 7.270 -4.096 1.00 0.00 N ATOM 867 CA LEU A 43 5.064 6.747 -2.755 1.00 0.00 C ATOM 868 C LEU A 43 6.175 5.807 -2.260 1.00 0.00 C ATOM 869 O LEU A 43 6.658 5.974 -1.141 1.00 0.00 O ATOM 870 CB LEU A 43 3.667 6.093 -2.760 1.00 0.00 C ATOM 871 CG LEU A 43 3.165 5.643 -1.372 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.638 5.603 -1.362 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.635 4.237 -0.978 1.00 0.00 C ATOM 0 H LEU A 43 4.681 6.968 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 43 5.047 7.567 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.951 6.799 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.687 5.228 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 43 3.573 6.366 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.289 5.285 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.247 6.596 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.288 4.899 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.245 3.986 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.270 3.514 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.724 4.211 -0.955 1.00 0.00 H new ATOM 885 N LEU A 44 6.644 4.881 -3.105 1.00 0.00 N ATOM 886 CA LEU A 44 7.749 3.971 -2.784 1.00 0.00 C ATOM 887 C LEU A 44 9.039 4.760 -2.496 1.00 0.00 C ATOM 888 O LEU A 44 9.745 4.502 -1.522 1.00 0.00 O ATOM 889 CB LEU A 44 7.944 2.978 -3.954 1.00 0.00 C ATOM 890 CG LEU A 44 6.707 2.124 -4.308 1.00 0.00 C ATOM 891 CD1 LEU A 44 6.932 1.371 -5.621 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.395 1.094 -3.230 1.00 0.00 C ATOM 0 H LEU A 44 6.263 4.741 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 44 7.508 3.409 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.243 3.539 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.768 2.309 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 44 5.870 2.817 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.050 0.775 -5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.110 2.086 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.797 0.715 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.518 0.517 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.247 0.424 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.197 1.603 -2.287 1.00 0.00 H new ATOM 904 N LYS A 45 9.332 5.778 -3.309 1.00 0.00 N ATOM 905 CA LYS A 45 10.531 6.618 -3.172 1.00 0.00 C ATOM 906 C LYS A 45 10.472 7.630 -2.027 1.00 0.00 C ATOM 907 O LYS A 45 11.528 8.029 -1.535 1.00 0.00 O ATOM 908 CB LYS A 45 10.883 7.234 -4.529 1.00 0.00 C ATOM 909 CG LYS A 45 11.354 6.097 -5.452 1.00 0.00 C ATOM 910 CD LYS A 45 11.713 6.543 -6.867 1.00 0.00 C ATOM 911 CE LYS A 45 12.840 7.564 -6.947 1.00 0.00 C ATOM 912 NZ LYS A 45 14.132 7.022 -6.437 1.00 0.00 N ATOM 0 H LYS A 45 8.737 6.048 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 45 11.353 5.969 -2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.016 7.739 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.666 7.984 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.224 5.618 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.569 5.343 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.994 5.666 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.825 6.966 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.966 7.883 -7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.567 8.449 -6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.872 7.747 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.027 6.757 -5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.399 6.183 -6.991 1.00 0.00 H new ATOM 926 N SER A 46 9.285 7.957 -1.515 1.00 0.00 N ATOM 927 CA SER A 46 9.136 8.742 -0.274 1.00 0.00 C ATOM 928 C SER A 46 9.685 7.994 0.958 1.00 0.00 C ATOM 929 O SER A 46 10.171 8.636 1.892 1.00 0.00 O ATOM 930 CB SER A 46 7.676 9.163 -0.061 1.00 0.00 C ATOM 931 OG SER A 46 6.887 8.124 0.484 1.00 0.00 O ATOM 0 H SER A 46 8.398 7.690 -1.942 1.00 0.00 H new ATOM 0 HA SER A 46 9.737 9.644 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.643 10.026 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.249 9.478 -1.013 1.00 0.00 H new ATOM 0 HG SER A 46 6.829 7.386 -0.158 1.00 0.00 H new ATOM 937 N VAL A 47 9.692 6.649 0.937 1.00 0.00 N ATOM 938 CA VAL A 47 10.380 5.779 1.919 1.00 0.00 C ATOM 939 C VAL A 47 11.738 5.251 1.417 1.00 0.00 C ATOM 940 O VAL A 47 12.318 4.344 2.017 1.00 0.00 O ATOM 941 CB VAL A 47 9.463 4.668 2.472 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.190 5.245 3.096 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.052 3.626 1.428 1.00 0.00 C ATOM 0 H VAL A 47 9.205 6.117 0.215 1.00 0.00 H new ATOM 0 HA VAL A 47 10.619 6.419 2.768 1.00 0.00 H new ATOM 0 HB VAL A 47 10.068 4.170 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.570 4.432 3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.457 5.910 3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.636 5.804 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.409 2.879 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.512 4.116 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.942 3.140 1.029 1.00 0.00 H new ATOM 953 N GLY A 48 12.284 5.842 0.347 1.00 0.00 N ATOM 954 CA GLY A 48 13.657 5.618 -0.116 1.00 0.00 C ATOM 955 C GLY A 48 13.875 4.390 -1.004 1.00 0.00 C ATOM 956 O GLY A 48 14.973 3.828 -0.988 1.00 0.00 O ATOM 0 H GLY A 48 11.770 6.505 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.982 6.501 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.304 5.530 0.757 1.00 0.00 H new ATOM 960 N ALA A 49 12.872 3.957 -1.778 1.00 0.00 N ATOM 961 CA ALA A 49 13.022 2.847 -2.715 1.00 0.00 C ATOM 962 C ALA A 49 14.077 3.179 -3.807 1.00 0.00 C ATOM 963 O ALA A 49 14.140 4.304 -4.312 1.00 0.00 O ATOM 964 CB ALA A 49 11.624 2.508 -3.237 1.00 0.00 C ATOM 0 H ALA A 49 11.938 4.368 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 49 13.423 1.953 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.690 1.680 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.983 2.223 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.201 3.379 -3.738 1.00 0.00 H new ATOM 970 N GLN A 50 14.957 2.225 -4.134 1.00 0.00 N ATOM 971 CA GLN A 50 16.168 2.473 -4.945 1.00 0.00 C ATOM 972 C GLN A 50 16.022 2.286 -6.470 1.00 0.00 C ATOM 973 O GLN A 50 16.871 2.759 -7.231 1.00 0.00 O ATOM 974 CB GLN A 50 17.305 1.586 -4.403 1.00 0.00 C ATOM 975 CG GLN A 50 17.703 1.916 -2.951 1.00 0.00 C ATOM 976 CD GLN A 50 18.270 3.328 -2.795 1.00 0.00 C ATOM 977 OE1 GLN A 50 19.296 3.685 -3.362 1.00 0.00 O ATOM 978 NE2 GLN A 50 17.633 4.193 -2.035 1.00 0.00 N ATOM 0 H GLN A 50 14.854 1.252 -3.845 1.00 0.00 H new ATOM 0 HA GLN A 50 16.384 3.536 -4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.998 0.541 -4.459 1.00 0.00 H new ATOM 0 HB3 GLN A 50 18.179 1.697 -5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 50 16.830 1.807 -2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.444 1.193 -2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 50 16.777 3.916 -1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 50 17.995 5.140 -1.927 1.00 0.00 H new ATOM 987 N LYS A 51 14.976 1.587 -6.922 1.00 0.00 N ATOM 988 CA LYS A 51 14.744 1.140 -8.308 1.00 0.00 C ATOM 989 C LYS A 51 13.679 1.937 -9.081 1.00 0.00 C ATOM 990 O LYS A 51 12.922 2.729 -8.520 1.00 0.00 O ATOM 991 CB LYS A 51 14.400 -0.363 -8.253 1.00 0.00 C ATOM 992 CG LYS A 51 15.627 -1.263 -8.469 1.00 0.00 C ATOM 993 CD LYS A 51 16.014 -1.414 -9.952 1.00 0.00 C ATOM 994 CE LYS A 51 14.976 -2.249 -10.719 1.00 0.00 C ATOM 995 NZ LYS A 51 15.077 -2.058 -12.185 1.00 0.00 N ATOM 0 H LYS A 51 14.222 1.299 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 51 15.655 1.324 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.952 -0.593 -7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.652 -0.588 -9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.473 -0.851 -7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.425 -2.249 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.101 -0.428 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.993 -1.888 -10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.113 -3.304 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.975 -1.975 -10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.179 -2.332 -12.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.277 -1.059 -12.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.846 -2.649 -12.560 1.00 0.00 H new ATOM 1009 N ASP A 52 13.614 1.687 -10.387 1.00 0.00 N ATOM 1010 CA ASP A 52 12.566 2.135 -11.316 1.00 0.00 C ATOM 1011 C ASP A 52 11.400 1.152 -11.552 1.00 0.00 C ATOM 1012 O ASP A 52 10.326 1.567 -11.996 1.00 0.00 O ATOM 1013 CB ASP A 52 13.179 2.609 -12.651 1.00 0.00 C ATOM 1014 CG ASP A 52 14.232 1.679 -13.292 1.00 0.00 C ATOM 1015 OD1 ASP A 52 14.564 0.604 -12.733 1.00 0.00 O ATOM 1016 OD2 ASP A 52 14.743 2.038 -14.381 1.00 0.00 O ATOM 0 H ASP A 52 14.331 1.135 -10.858 1.00 0.00 H new ATOM 0 HA ASP A 52 12.097 2.976 -10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.369 2.753 -13.367 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.638 3.584 -12.489 1.00 0.00 H new ATOM 1021 N THR A 53 11.593 -0.137 -11.250 1.00 0.00 N ATOM 1022 CA THR A 53 10.621 -1.242 -11.422 1.00 0.00 C ATOM 1023 C THR A 53 10.781 -2.207 -10.234 1.00 0.00 C ATOM 1024 O THR A 53 11.859 -2.326 -9.649 1.00 0.00 O ATOM 1025 CB THR A 53 10.890 -2.054 -12.706 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.267 -2.284 -12.931 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.339 -1.365 -13.946 1.00 0.00 C ATOM 0 H THR A 53 12.476 -0.463 -10.858 1.00 0.00 H new ATOM 0 HA THR A 53 9.623 -0.807 -11.482 1.00 0.00 H new ATOM 0 HB THR A 53 10.381 -3.004 -12.541 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.500 -3.190 -12.638 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.552 -1.973 -14.825 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.261 -1.240 -13.844 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.809 -0.388 -14.058 1.00 0.00 H new ATOM 1035 N TYR A 54 9.695 -2.907 -9.883 1.00 0.00 N ATOM 1036 CA TYR A 54 9.568 -3.704 -8.653 1.00 0.00 C ATOM 1037 C TYR A 54 8.731 -4.981 -8.808 1.00 0.00 C ATOM 1038 O TYR A 54 7.971 -5.095 -9.773 1.00 0.00 O ATOM 1039 CB TYR A 54 8.938 -2.827 -7.554 1.00 0.00 C ATOM 1040 CG TYR A 54 9.774 -1.637 -7.129 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.749 -1.780 -6.124 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.592 -0.393 -7.767 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.550 -0.683 -5.758 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.412 0.696 -7.425 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.389 0.552 -6.421 1.00 0.00 C ATOM 1046 OH TYR A 54 12.199 1.594 -6.115 1.00 0.00 O ATOM 0 H TYR A 54 8.856 -2.936 -10.462 1.00 0.00 H new ATOM 0 HA TYR A 54 10.576 -4.028 -8.393 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.972 -2.466 -7.907 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.746 -3.448 -6.679 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.882 -2.733 -5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.824 -0.277 -8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.285 -0.786 -4.973 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.293 1.642 -7.932 1.00 0.00 H new ATOM 0 HH TYR A 54 12.429 2.081 -6.934 1.00 0.00 H new ATOM 1056 N THR A 55 8.841 -5.916 -7.858 1.00 0.00 N ATOM 1057 CA THR A 55 7.915 -7.058 -7.687 1.00 0.00 C ATOM 1058 C THR A 55 6.646 -6.723 -6.889 1.00 0.00 C ATOM 1059 O THR A 55 6.640 -5.752 -6.131 1.00 0.00 O ATOM 1060 CB THR A 55 8.586 -8.343 -7.157 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.561 -8.360 -5.742 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.030 -8.562 -7.607 1.00 0.00 C ATOM 0 H THR A 55 9.591 -5.906 -7.167 1.00 0.00 H new ATOM 0 HA THR A 55 7.595 -7.272 -8.707 1.00 0.00 H new ATOM 0 HB THR A 55 7.998 -9.152 -7.589 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.988 -9.180 -5.417 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.407 -9.491 -7.180 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.067 -8.621 -8.695 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.647 -7.730 -7.268 1.00 0.00 H new ATOM 1070 N MET A 56 5.579 -7.533 -6.980 1.00 0.00 N ATOM 1071 CA MET A 56 4.381 -7.357 -6.133 1.00 0.00 C ATOM 1072 C MET A 56 4.720 -7.342 -4.634 1.00 0.00 C ATOM 1073 O MET A 56 4.220 -6.499 -3.887 1.00 0.00 O ATOM 1074 CB MET A 56 3.343 -8.466 -6.393 1.00 0.00 C ATOM 1075 CG MET A 56 2.500 -8.211 -7.643 1.00 0.00 C ATOM 1076 SD MET A 56 1.421 -6.756 -7.490 1.00 0.00 S ATOM 1077 CE MET A 56 0.916 -6.565 -9.213 1.00 0.00 C ATOM 0 H MET A 56 5.518 -8.317 -7.630 1.00 0.00 H new ATOM 0 HA MET A 56 3.963 -6.388 -6.406 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.858 -9.421 -6.497 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.685 -8.551 -5.528 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.161 -8.077 -8.499 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.888 -9.090 -7.847 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.245 -5.711 -9.303 1.00 0.00 H new ATOM 0 HE2 MET A 56 1.797 -6.402 -9.834 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.401 -7.467 -9.543 1.00 0.00 H new ATOM 1087 N LYS A 57 5.600 -8.251 -4.195 1.00 0.00 N ATOM 1088 CA LYS A 57 6.029 -8.377 -2.797 1.00 0.00 C ATOM 1089 C LYS A 57 6.935 -7.226 -2.347 1.00 0.00 C ATOM 1090 O LYS A 57 6.819 -6.775 -1.210 1.00 0.00 O ATOM 1091 CB LYS A 57 6.668 -9.762 -2.624 1.00 0.00 C ATOM 1092 CG LYS A 57 7.093 -10.053 -1.176 1.00 0.00 C ATOM 1093 CD LYS A 57 7.201 -11.564 -0.926 1.00 0.00 C ATOM 1094 CE LYS A 57 5.810 -12.183 -0.722 1.00 0.00 C ATOM 1095 NZ LYS A 57 5.775 -13.655 -0.907 1.00 0.00 N ATOM 0 H LYS A 57 6.042 -8.932 -4.813 1.00 0.00 H new ATOM 0 HA LYS A 57 5.165 -8.298 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.961 -10.525 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.540 -9.837 -3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.053 -9.578 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.369 -9.618 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.697 -12.043 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.819 -11.749 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.460 -11.944 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.112 -11.722 -1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.897 -14.035 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.810 -13.878 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.593 -14.084 -0.430 1.00 0.00 H new ATOM 1109 N GLU A 58 7.769 -6.688 -3.238 1.00 0.00 N ATOM 1110 CA GLU A 58 8.539 -5.460 -2.986 1.00 0.00 C ATOM 1111 C GLU A 58 7.647 -4.219 -2.832 1.00 0.00 C ATOM 1112 O GLU A 58 7.830 -3.447 -1.887 1.00 0.00 O ATOM 1113 CB GLU A 58 9.554 -5.225 -4.111 1.00 0.00 C ATOM 1114 CG GLU A 58 10.741 -6.197 -4.052 1.00 0.00 C ATOM 1115 CD GLU A 58 11.696 -6.045 -5.252 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.327 -5.409 -6.268 1.00 0.00 O ATOM 1117 OE2 GLU A 58 12.831 -6.578 -5.178 1.00 0.00 O ATOM 0 H GLU A 58 7.933 -7.091 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 58 9.059 -5.609 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.053 -5.328 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.925 -4.202 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.296 -6.031 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.366 -7.220 -4.019 1.00 0.00 H new ATOM 1124 N VAL A 59 6.651 -4.043 -3.713 1.00 0.00 N ATOM 1125 CA VAL A 59 5.668 -2.949 -3.609 1.00 0.00 C ATOM 1126 C VAL A 59 4.872 -3.082 -2.305 1.00 0.00 C ATOM 1127 O VAL A 59 4.744 -2.095 -1.581 1.00 0.00 O ATOM 1128 CB VAL A 59 4.727 -2.909 -4.833 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.638 -1.836 -4.708 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.492 -2.590 -6.125 1.00 0.00 C ATOM 0 H VAL A 59 6.503 -4.653 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 59 6.211 -2.004 -3.594 1.00 0.00 H new ATOM 0 HB VAL A 59 4.279 -3.902 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.006 -1.853 -5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.030 -2.036 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.103 -0.855 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.797 -2.571 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.975 -1.617 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.248 -3.355 -6.298 1.00 0.00 H new ATOM 1140 N LEU A 60 4.397 -4.288 -1.954 1.00 0.00 N ATOM 1141 CA LEU A 60 3.727 -4.548 -0.672 1.00 0.00 C ATOM 1142 C LEU A 60 4.638 -4.212 0.519 1.00 0.00 C ATOM 1143 O LEU A 60 4.198 -3.506 1.424 1.00 0.00 O ATOM 1144 CB LEU A 60 3.259 -6.017 -0.594 1.00 0.00 C ATOM 1145 CG LEU A 60 1.969 -6.323 -1.381 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.773 -7.837 -1.495 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.731 -5.750 -0.688 1.00 0.00 C ATOM 0 H LEU A 60 4.467 -5.111 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 60 2.854 -3.897 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.057 -6.659 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.101 -6.279 0.452 1.00 0.00 H new ATOM 0 HG LEU A 60 2.080 -5.863 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.860 -8.045 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.624 -8.276 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.696 -8.270 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.157 -5.987 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.636 -6.186 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.830 -4.668 -0.602 1.00 0.00 H new ATOM 1159 N PHE A 61 5.901 -4.652 0.521 1.00 0.00 N ATOM 1160 CA PHE A 61 6.875 -4.278 1.550 1.00 0.00 C ATOM 1161 C PHE A 61 7.028 -2.770 1.792 1.00 0.00 C ATOM 1162 O PHE A 61 6.775 -2.273 2.892 1.00 0.00 O ATOM 1163 CB PHE A 61 8.215 -5.009 1.358 1.00 0.00 C ATOM 1164 CG PHE A 61 9.373 -4.424 2.150 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.587 -4.829 3.482 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.220 -3.458 1.570 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.637 -4.266 4.231 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.263 -2.890 2.322 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.471 -3.293 3.653 1.00 0.00 C ATOM 0 H PHE A 61 6.276 -5.278 -0.192 1.00 0.00 H new ATOM 0 HA PHE A 61 6.446 -4.631 2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.088 -6.054 1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.473 -4.996 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.944 -5.573 3.929 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.067 -3.153 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.802 -4.582 5.251 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.905 -2.144 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.271 -2.855 4.231 1.00 0.00 H new ATOM 1179 N TYR A 62 7.370 -2.035 0.734 1.00 0.00 N ATOM 1180 CA TYR A 62 7.511 -0.581 0.778 1.00 0.00 C ATOM 1181 C TYR A 62 6.245 0.215 1.129 1.00 0.00 C ATOM 1182 O TYR A 62 6.307 1.180 1.891 1.00 0.00 O ATOM 1183 CB TYR A 62 8.189 -0.064 -0.494 1.00 0.00 C ATOM 1184 CG TYR A 62 9.690 -0.272 -0.603 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.565 0.366 0.298 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.218 -1.054 -1.651 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.959 0.239 0.144 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.611 -1.195 -1.801 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.487 -0.542 -0.907 1.00 0.00 C ATOM 1190 OH TYR A 62 13.835 -0.652 -1.057 1.00 0.00 O ATOM 0 H TYR A 62 7.558 -2.436 -0.185 1.00 0.00 H new ATOM 0 HA TYR A 62 8.158 -0.393 1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.716 -0.545 -1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.987 1.004 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.165 0.955 1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.551 -1.547 -2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.625 0.740 0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.009 -1.803 -2.600 1.00 0.00 H new ATOM 0 HH TYR A 62 14.033 -1.226 -1.827 1.00 0.00 H new ATOM 1200 N LEU A 63 5.080 -0.219 0.635 1.00 0.00 N ATOM 1201 CA LEU A 63 3.783 0.355 0.983 1.00 0.00 C ATOM 1202 C LEU A 63 3.435 0.127 2.465 1.00 0.00 C ATOM 1203 O LEU A 63 2.994 1.054 3.141 1.00 0.00 O ATOM 1204 CB LEU A 63 2.731 -0.225 0.019 1.00 0.00 C ATOM 1205 CG LEU A 63 1.279 0.167 0.330 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.069 1.675 0.368 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.352 -0.390 -0.751 1.00 0.00 C ATOM 0 H LEU A 63 5.015 -0.991 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 63 3.808 1.438 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.970 0.100 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.809 -1.312 0.032 1.00 0.00 H new ATOM 0 HG LEU A 63 1.055 -0.245 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.024 1.891 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.703 2.111 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.329 2.103 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.677 -0.110 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.637 0.019 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.435 -1.477 -0.777 1.00 0.00 H new ATOM 1219 N GLY A 64 3.707 -1.064 3.008 1.00 0.00 N ATOM 1220 CA GLY A 64 3.540 -1.342 4.437 1.00 0.00 C ATOM 1221 C GLY A 64 4.448 -0.475 5.318 1.00 0.00 C ATOM 1222 O GLY A 64 3.986 0.096 6.308 1.00 0.00 O ATOM 0 H GLY A 64 4.048 -1.861 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.500 -1.173 4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.754 -2.394 4.626 1.00 0.00 H new ATOM 1226 N GLN A 65 5.711 -0.289 4.919 1.00 0.00 N ATOM 1227 CA GLN A 65 6.630 0.661 5.563 1.00 0.00 C ATOM 1228 C GLN A 65 6.129 2.116 5.487 1.00 0.00 C ATOM 1229 O GLN A 65 6.256 2.860 6.463 1.00 0.00 O ATOM 1230 CB GLN A 65 8.038 0.538 4.948 1.00 0.00 C ATOM 1231 CG GLN A 65 8.738 -0.802 5.246 1.00 0.00 C ATOM 1232 CD GLN A 65 9.119 -1.007 6.713 1.00 0.00 C ATOM 1233 OE1 GLN A 65 9.247 -0.082 7.505 1.00 0.00 O ATOM 1234 NE2 GLN A 65 9.322 -2.237 7.135 1.00 0.00 N ATOM 0 H GLN A 65 6.128 -0.794 4.137 1.00 0.00 H new ATOM 0 HA GLN A 65 6.674 0.400 6.620 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.964 0.665 3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.659 1.352 5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.083 -1.616 4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.639 -0.870 4.637 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.220 -3.021 6.490 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.581 -2.407 8.107 1.00 0.00 H new ATOM 1243 N TYR A 66 5.503 2.517 4.371 1.00 0.00 N ATOM 1244 CA TYR A 66 4.874 3.829 4.223 1.00 0.00 C ATOM 1245 C TYR A 66 3.695 4.051 5.173 1.00 0.00 C ATOM 1246 O TYR A 66 3.672 5.019 5.931 1.00 0.00 O ATOM 1247 CB TYR A 66 4.553 4.120 2.749 1.00 0.00 C ATOM 1248 CG TYR A 66 3.746 5.380 2.483 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.336 5.371 2.530 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.423 6.564 2.138 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.612 6.542 2.223 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.705 7.727 1.808 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.296 7.716 1.836 1.00 0.00 C ATOM 1254 OH TYR A 66 1.619 8.843 1.498 1.00 0.00 O ATOM 0 H TYR A 66 5.421 1.931 3.540 1.00 0.00 H new ATOM 0 HA TYR A 66 5.603 4.576 4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.492 4.190 2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.007 3.269 2.341 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.811 4.467 2.801 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.503 6.580 2.127 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.534 6.541 2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.233 8.628 1.533 1.00 0.00 H new ATOM 0 HH TYR A 66 0.655 8.680 1.572 1.00 0.00 H new ATOM 1264 N ILE A 67 2.764 3.094 5.212 1.00 0.00 N ATOM 1265 CA ILE A 67 1.594 3.114 6.098 1.00 0.00 C ATOM 1266 C ILE A 67 2.009 3.127 7.579 1.00 0.00 C ATOM 1267 O ILE A 67 1.398 3.849 8.368 1.00 0.00 O ATOM 1268 CB ILE A 67 0.659 1.929 5.764 1.00 0.00 C ATOM 1269 CG1 ILE A 67 0.085 2.054 4.333 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.494 1.835 6.780 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.410 0.719 3.759 1.00 0.00 C ATOM 0 H ILE A 67 2.802 2.266 4.617 1.00 0.00 H new ATOM 0 HA ILE A 67 1.041 4.038 5.927 1.00 0.00 H new ATOM 0 HB ILE A 67 1.256 1.019 5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.740 2.766 4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.853 2.462 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.138 0.994 6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.086 1.688 7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.075 2.757 6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.800 0.877 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.417 0.011 3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.200 0.320 4.396 1.00 0.00 H new ATOM 1283 N MET A 68 3.076 2.406 7.953 1.00 0.00 N ATOM 1284 CA MET A 68 3.653 2.455 9.303 1.00 0.00 C ATOM 1285 C MET A 68 4.245 3.818 9.673 1.00 0.00 C ATOM 1286 O MET A 68 3.882 4.371 10.711 1.00 0.00 O ATOM 1287 CB MET A 68 4.706 1.358 9.507 1.00 0.00 C ATOM 1288 CG MET A 68 4.045 -0.004 9.737 1.00 0.00 C ATOM 1289 SD MET A 68 5.162 -1.306 10.323 1.00 0.00 S ATOM 1290 CE MET A 68 6.236 -1.478 8.876 1.00 0.00 C ATOM 0 H MET A 68 3.565 1.769 7.324 1.00 0.00 H new ATOM 0 HA MET A 68 2.813 2.280 9.975 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.357 1.307 8.634 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.336 1.609 10.360 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.240 0.117 10.462 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.587 -0.331 8.804 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.818 -2.396 8.962 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.627 -1.518 7.973 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.911 -0.624 8.821 1.00 0.00 H new ATOM 1300 N THR A 69 5.128 4.388 8.846 1.00 0.00 N ATOM 1301 CA THR A 69 5.734 5.702 9.131 1.00 0.00 C ATOM 1302 C THR A 69 4.752 6.883 9.105 1.00 0.00 C ATOM 1303 O THR A 69 4.827 7.791 9.937 1.00 0.00 O ATOM 1304 CB THR A 69 7.020 5.921 8.312 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.842 6.886 8.937 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.771 6.407 6.886 1.00 0.00 C ATOM 0 H THR A 69 5.442 3.964 7.973 1.00 0.00 H new ATOM 0 HA THR A 69 6.038 5.674 10.177 1.00 0.00 H new ATOM 0 HB THR A 69 7.495 4.941 8.266 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.656 7.015 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.725 6.538 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.170 5.672 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.241 7.359 6.913 1.00 0.00 H new ATOM 1314 N LYS A 70 3.758 6.827 8.206 1.00 0.00 N ATOM 1315 CA LYS A 70 2.641 7.783 8.094 1.00 0.00 C ATOM 1316 C LYS A 70 1.532 7.576 9.141 1.00 0.00 C ATOM 1317 O LYS A 70 0.748 8.495 9.378 1.00 0.00 O ATOM 1318 CB LYS A 70 2.052 7.678 6.677 1.00 0.00 C ATOM 1319 CG LYS A 70 3.016 8.085 5.545 1.00 0.00 C ATOM 1320 CD LYS A 70 2.961 9.565 5.146 1.00 0.00 C ATOM 1321 CE LYS A 70 1.593 9.911 4.544 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.645 11.121 3.689 1.00 0.00 N ATOM 0 H LYS A 70 3.706 6.085 7.508 1.00 0.00 H new ATOM 0 HA LYS A 70 3.045 8.777 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.729 6.651 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.162 8.305 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.034 7.845 5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.796 7.479 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.149 10.190 6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.748 9.782 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.234 9.067 3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.874 10.067 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.776 11.183 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.728 11.967 4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.468 11.064 3.056 1.00 0.00 H new ATOM 1336 N ARG A 71 1.459 6.385 9.758 1.00 0.00 N ATOM 1337 CA ARG A 71 0.466 5.960 10.770 1.00 0.00 C ATOM 1338 C ARG A 71 -0.990 6.093 10.291 1.00 0.00 C ATOM 1339 O ARG A 71 -1.845 6.632 10.992 1.00 0.00 O ATOM 1340 CB ARG A 71 0.749 6.627 12.133 1.00 0.00 C ATOM 1341 CG ARG A 71 2.134 6.262 12.690 1.00 0.00 C ATOM 1342 CD ARG A 71 2.405 6.985 14.014 1.00 0.00 C ATOM 1343 NE ARG A 71 3.701 6.590 14.602 1.00 0.00 N ATOM 1344 CZ ARG A 71 4.906 7.012 14.256 1.00 0.00 C ATOM 1345 NH1 ARG A 71 5.105 7.846 13.274 1.00 0.00 N ATOM 1346 NH2 ARG A 71 5.956 6.595 14.904 1.00 0.00 N ATOM 0 H ARG A 71 2.131 5.645 9.554 1.00 0.00 H new ATOM 0 HA ARG A 71 0.589 4.887 10.919 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.678 7.709 12.026 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.017 6.326 12.847 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.196 5.184 12.841 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.903 6.527 11.964 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.395 8.062 13.848 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.604 6.764 14.719 1.00 0.00 H new ATOM 0 HE ARG A 71 3.662 5.913 15.364 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.313 8.200 12.737 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.052 8.144 13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.850 5.942 15.680 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.884 6.922 14.635 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.262 5.627 9.065 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.577 5.763 8.407 1.00 0.00 C ATOM 1362 C LEU A 72 -3.651 4.787 8.924 1.00 0.00 C ATOM 1363 O LEU A 72 -4.827 4.953 8.602 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.433 5.643 6.875 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.446 6.625 6.227 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.368 6.378 4.723 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.848 8.080 6.460 1.00 0.00 C ATOM 0 H LEU A 72 -0.572 5.140 8.493 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.933 6.759 8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.119 4.627 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.414 5.788 6.422 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.476 6.453 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.665 7.080 4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.029 5.358 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.354 6.519 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.122 8.739 5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.834 8.258 6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.875 8.283 7.531 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.280 3.773 9.704 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.235 2.882 10.376 1.00 0.00 C ATOM 1381 C TYR A 73 -5.093 3.525 11.482 1.00 0.00 C ATOM 1382 O TYR A 73 -4.646 4.473 12.133 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.570 1.581 10.849 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.270 1.793 11.607 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -2.311 2.189 12.958 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -1.031 1.635 10.958 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -1.117 2.451 13.657 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.165 1.887 11.657 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.126 2.308 13.003 1.00 0.00 C ATOM 1390 OH TYR A 73 1.285 2.581 13.662 1.00 0.00 O ATOM 0 H TYR A 73 -2.304 3.542 9.891 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.957 2.639 9.596 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.268 1.040 11.488 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.375 0.949 9.983 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.262 2.292 13.460 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.998 1.321 9.925 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.152 2.761 14.691 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.116 1.758 11.161 1.00 0.00 H new ATOM 0 HH TYR A 73 2.046 2.429 13.063 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.306 3.016 11.734 1.00 0.00 N ATOM 1401 CA ASP A 74 -7.058 3.402 12.938 1.00 0.00 C ATOM 1402 C ASP A 74 -6.350 2.930 14.223 1.00 0.00 C ATOM 1403 O ASP A 74 -5.977 1.761 14.315 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.539 2.987 12.855 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.336 3.077 14.169 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.013 3.905 15.049 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.312 2.308 14.320 1.00 0.00 O ATOM 0 H ASP A 74 -6.783 2.346 11.131 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.070 4.491 12.988 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.031 3.613 12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.589 1.961 12.492 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.156 3.798 15.220 1.00 0.00 N ATOM 1413 CA GLU A 75 -5.545 3.419 16.503 1.00 0.00 C ATOM 1414 C GLU A 75 -6.278 2.268 17.220 1.00 0.00 C ATOM 1415 O GLU A 75 -5.634 1.480 17.920 1.00 0.00 O ATOM 1416 CB GLU A 75 -5.424 4.645 17.427 1.00 0.00 C ATOM 1417 CG GLU A 75 -6.737 5.424 17.656 1.00 0.00 C ATOM 1418 CD GLU A 75 -6.855 6.088 19.044 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.373 5.528 20.059 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -7.509 7.153 19.147 1.00 0.00 O ATOM 0 H GLU A 75 -6.417 4.782 15.163 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.550 3.043 16.267 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.042 4.316 18.393 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.684 5.326 17.006 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.825 6.195 16.890 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.577 4.743 17.521 1.00 0.00 H new ATOM 1427 N LYS A 76 -7.600 2.139 17.020 1.00 0.00 N ATOM 1428 CA LYS A 76 -8.412 1.026 17.542 1.00 0.00 C ATOM 1429 C LYS A 76 -8.399 -0.163 16.573 1.00 0.00 C ATOM 1430 O LYS A 76 -7.866 -1.223 16.906 1.00 0.00 O ATOM 1431 CB LYS A 76 -9.847 1.486 17.883 1.00 0.00 C ATOM 1432 CG LYS A 76 -9.970 2.791 18.693 1.00 0.00 C ATOM 1433 CD LYS A 76 -9.077 2.865 19.941 1.00 0.00 C ATOM 1434 CE LYS A 76 -9.421 4.125 20.747 1.00 0.00 C ATOM 1435 NZ LYS A 76 -8.355 4.462 21.723 1.00 0.00 N ATOM 0 H LYS A 76 -8.143 2.815 16.483 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.962 0.687 18.475 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.398 1.609 16.950 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.338 0.689 18.441 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.728 3.630 18.041 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.009 2.915 19.000 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.221 1.977 20.556 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.027 2.884 19.649 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.569 4.963 20.066 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.363 3.973 21.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.693 5.211 22.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.113 3.617 22.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.511 4.795 21.214 1.00 0.00 H new ATOM 1449 N GLN A 77 -8.948 0.003 15.366 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.984 -1.016 14.309 1.00 0.00 C ATOM 1451 C GLN A 77 -7.702 -0.955 13.464 1.00 0.00 C ATOM 1452 O GLN A 77 -7.708 -0.487 12.326 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.246 -0.857 13.439 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.558 -1.004 14.227 1.00 0.00 C ATOM 1455 CD GLN A 77 -12.733 -0.276 13.576 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -13.678 -0.877 13.078 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -12.669 1.032 13.439 1.00 0.00 N ATOM 0 H GLN A 77 -9.394 0.877 15.087 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.031 -2.001 14.774 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.227 0.122 12.961 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.225 -1.601 12.643 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.801 -2.062 14.322 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.414 -0.619 15.236 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.890 1.550 13.846 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.398 1.527 12.926 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.584 -1.442 14.008 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.268 -1.339 13.354 1.00 0.00 C ATOM 1468 C GLN A 78 -5.170 -2.187 12.070 1.00 0.00 C ATOM 1469 O GLN A 78 -4.290 -1.970 11.240 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.157 -1.654 14.370 1.00 0.00 C ATOM 1471 CG GLN A 78 -4.086 -0.573 15.466 1.00 0.00 C ATOM 1472 CD GLN A 78 -3.120 -0.890 16.604 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -2.159 -1.639 16.470 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -3.329 -0.318 17.769 1.00 0.00 N ATOM 0 H GLN A 78 -6.560 -1.918 14.910 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.134 -0.312 13.015 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.342 -2.627 14.826 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.198 -1.719 13.856 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.792 0.372 15.009 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.083 -0.429 15.882 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.125 0.308 17.895 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.695 -0.500 18.547 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.116 -3.109 11.868 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.314 -3.853 10.625 1.00 0.00 C ATOM 1485 C HIS A 79 -7.081 -3.064 9.537 1.00 0.00 C ATOM 1486 O HIS A 79 -7.368 -3.628 8.482 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.981 -5.196 10.958 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.440 -5.125 11.342 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -8.951 -4.956 12.611 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.506 -5.297 10.500 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.291 -5.012 12.534 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.678 -5.241 11.267 1.00 0.00 N ATOM 0 H HIS A 79 -6.787 -3.365 12.592 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.336 -4.031 10.177 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.883 -5.853 10.094 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.431 -5.661 11.776 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.453 -5.449 9.432 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -10.962 -4.890 13.371 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.635 -5.352 10.931 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.424 -1.785 9.757 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.097 -0.899 8.788 1.00 0.00 C ATOM 1502 C ILE A 80 -7.279 0.387 8.584 1.00 0.00 C ATOM 1503 O ILE A 80 -6.893 1.053 9.547 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.551 -0.588 9.221 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.333 -1.876 9.580 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.288 0.204 8.122 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.775 -1.629 10.039 1.00 0.00 C ATOM 0 H ILE A 80 -7.235 -1.321 10.645 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.156 -1.419 7.832 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.499 0.026 10.120 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.348 -2.533 8.710 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.798 -2.404 10.369 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.308 0.413 8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.766 1.143 7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.312 -0.383 7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.251 -2.582 10.271 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.771 -1.000 10.929 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.329 -1.130 9.244 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.025 0.742 7.321 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.270 1.933 6.892 1.00 0.00 C ATOM 1521 C VAL A 81 -7.223 3.040 6.436 1.00 0.00 C ATOM 1522 O VAL A 81 -8.169 2.781 5.695 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.264 1.574 5.780 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.457 2.785 5.293 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.260 0.521 6.267 1.00 0.00 C ATOM 0 H VAL A 81 -7.353 0.185 6.531 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.704 2.305 7.746 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.867 1.191 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.766 2.471 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.136 3.539 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.895 3.206 6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.562 0.285 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.710 0.911 7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.794 -0.383 6.560 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.946 4.276 6.853 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.719 5.493 6.585 1.00 0.00 C ATOM 1537 C TYR A 82 -7.036 6.505 5.653 1.00 0.00 C ATOM 1538 O TYR A 82 -6.673 7.616 6.044 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.299 6.070 7.884 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.442 5.242 8.441 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.162 4.121 9.244 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.776 5.573 8.136 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.212 3.331 9.748 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.830 4.786 8.639 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.551 3.662 9.449 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.575 2.910 9.939 1.00 0.00 O ATOM 0 H TYR A 82 -6.123 4.468 7.424 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.574 5.198 5.977 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.508 6.136 8.631 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.649 7.086 7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.138 3.866 9.474 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.991 6.431 7.516 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.993 2.471 10.364 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.853 5.042 8.405 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.429 3.282 9.635 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.789 6.069 4.418 1.00 0.00 N ATOM 1557 CA CYS A 83 -5.989 6.760 3.398 1.00 0.00 C ATOM 1558 C CYS A 83 -6.585 8.055 2.794 1.00 0.00 C ATOM 1559 O CYS A 83 -5.973 8.649 1.905 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.588 5.731 2.326 1.00 0.00 C ATOM 1561 SG CYS A 83 -7.019 4.773 1.731 1.00 0.00 S ATOM 0 H CYS A 83 -7.159 5.180 4.081 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.113 7.156 3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.122 6.246 1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.842 5.051 2.737 1.00 0.00 H new ATOM 0 HG CYS A 83 -7.790 5.541 1.021 1.00 0.00 H new ATOM 1567 N SER A 84 -7.756 8.510 3.254 1.00 0.00 N ATOM 1568 CA SER A 84 -8.475 9.685 2.736 1.00 0.00 C ATOM 1569 C SER A 84 -7.594 10.938 2.586 1.00 0.00 C ATOM 1570 O SER A 84 -6.842 11.301 3.495 1.00 0.00 O ATOM 1571 CB SER A 84 -9.667 10.007 3.643 1.00 0.00 C ATOM 1572 OG SER A 84 -10.452 11.038 3.069 1.00 0.00 O ATOM 0 H SER A 84 -8.248 8.056 4.024 1.00 0.00 H new ATOM 0 HA SER A 84 -8.810 9.418 1.734 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.275 9.114 3.788 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.313 10.314 4.627 1.00 0.00 H new ATOM 0 HG SER A 84 -11.212 11.235 3.655 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.704 11.598 1.427 1.00 0.00 N ATOM 1579 CA ASN A 85 -6.966 12.800 1.003 1.00 0.00 C ATOM 1580 C ASN A 85 -5.423 12.683 0.931 1.00 0.00 C ATOM 1581 O ASN A 85 -4.755 13.660 0.580 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.449 14.026 1.811 1.00 0.00 C ATOM 1583 CG ASN A 85 -8.927 14.336 1.626 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.493 14.220 0.546 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -9.593 14.802 2.659 1.00 0.00 N ATOM 0 H ASN A 85 -8.357 11.286 0.708 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.217 12.936 -0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.253 13.853 2.869 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.864 14.898 1.517 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.574 15.064 2.558 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.129 14.902 3.562 1.00 0.00 H new ATOM 1592 N ASP A 86 -4.836 11.519 1.227 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.393 11.267 1.099 1.00 0.00 C ATOM 1594 C ASP A 86 -3.008 10.830 -0.336 1.00 0.00 C ATOM 1595 O ASP A 86 -3.866 10.448 -1.139 1.00 0.00 O ATOM 1596 CB ASP A 86 -2.986 10.189 2.121 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.472 9.981 2.147 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.742 10.983 2.322 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.006 8.849 1.893 1.00 0.00 O ATOM 0 H ASP A 86 -5.357 10.711 1.568 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.857 12.195 1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.331 10.479 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.479 9.249 1.874 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.704 10.811 -0.647 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.157 10.193 -1.863 1.00 0.00 C ATOM 1606 C LEU A 87 -1.619 8.726 -2.007 1.00 0.00 C ATOM 1607 O LEU A 87 -1.947 8.283 -3.109 1.00 0.00 O ATOM 1608 CB LEU A 87 0.380 10.324 -1.817 1.00 0.00 C ATOM 1609 CG LEU A 87 1.147 9.589 -2.933 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.734 10.044 -4.330 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.646 9.863 -2.803 1.00 0.00 C ATOM 0 H LEU A 87 -0.990 11.231 -0.052 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.533 10.707 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.637 11.382 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.729 9.950 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 87 0.912 8.531 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.306 9.493 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.329 9.854 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.930 11.111 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.182 9.340 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.829 10.934 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.998 9.510 -1.833 1.00 0.00 H new ATOM 1623 N LEU A 88 -1.726 7.989 -0.895 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.258 6.626 -0.889 1.00 0.00 C ATOM 1625 C LEU A 88 -3.765 6.545 -1.191 1.00 0.00 C ATOM 1626 O LEU A 88 -4.209 5.615 -1.862 1.00 0.00 O ATOM 1627 CB LEU A 88 -1.911 5.974 0.454 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.327 4.498 0.536 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.646 3.679 -0.562 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -1.950 3.938 1.902 1.00 0.00 C ATOM 0 H LEU A 88 -1.445 8.324 0.026 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.788 6.078 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.837 6.052 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.399 6.527 1.256 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.406 4.433 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.956 2.637 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.932 4.070 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.564 3.745 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.245 2.890 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.872 4.020 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.462 4.503 2.681 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.554 7.523 -0.745 1.00 0.00 N ATOM 1643 CA GLY A 89 -5.979 7.631 -1.086 1.00 0.00 C ATOM 1644 C GLY A 89 -6.215 7.812 -2.589 1.00 0.00 C ATOM 1645 O GLY A 89 -7.136 7.215 -3.147 1.00 0.00 O ATOM 0 H GLY A 89 -4.223 8.269 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.499 6.735 -0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.414 8.475 -0.550 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.337 8.556 -3.267 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.329 8.676 -4.731 1.00 0.00 C ATOM 1651 C ASP A 90 -4.919 7.403 -5.497 1.00 0.00 C ATOM 1652 O ASP A 90 -5.358 7.185 -6.630 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.516 9.905 -5.178 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.201 11.266 -4.937 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.411 11.328 -4.611 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.520 12.304 -5.120 1.00 0.00 O ATOM 0 H ASP A 90 -4.603 9.099 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.373 8.821 -5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.560 9.899 -4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.297 9.809 -6.241 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.113 6.540 -4.867 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.718 5.225 -5.383 1.00 0.00 C ATOM 1663 C LEU A 91 -4.817 4.166 -5.195 1.00 0.00 C ATOM 1664 O LEU A 91 -5.218 3.526 -6.169 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.414 4.793 -4.694 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.152 5.475 -5.243 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.002 5.242 -4.283 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.789 4.946 -6.631 1.00 0.00 C ATOM 0 H LEU A 91 -3.705 6.745 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.560 5.310 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.493 5.005 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.303 3.714 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.349 6.543 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.897 5.724 -4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.250 5.663 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.176 4.171 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.109 5.450 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.605 3.873 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.612 5.137 -7.320 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.322 3.979 -3.969 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.432 3.058 -3.688 1.00 0.00 C ATOM 1682 C PHE A 92 -7.825 3.458 -4.201 1.00 0.00 C ATOM 1683 O PHE A 92 -8.677 2.598 -4.432 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.438 2.582 -2.222 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.430 1.499 -1.865 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.482 0.247 -2.502 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.490 1.707 -0.843 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.581 -0.777 -2.155 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.600 0.680 -0.477 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.630 -0.554 -1.143 1.00 0.00 C ATOM 0 H PHE A 92 -4.972 4.463 -3.142 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.203 2.200 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.256 3.444 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.436 2.213 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.223 0.069 -3.267 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.450 2.659 -0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.620 -1.729 -2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.890 0.843 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.926 -1.330 -0.880 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.061 4.758 -4.409 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.330 5.303 -4.912 1.00 0.00 C ATOM 1702 C GLY A 93 -10.473 5.318 -3.884 1.00 0.00 C ATOM 1703 O GLY A 93 -11.641 5.387 -4.273 1.00 0.00 O ATOM 0 H GLY A 93 -7.361 5.477 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.160 6.321 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.644 4.718 -5.776 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.156 5.234 -2.585 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.118 5.137 -1.468 1.00 0.00 C ATOM 1709 C VAL A 94 -10.607 5.938 -0.254 1.00 0.00 C ATOM 1710 O VAL A 94 -9.395 6.110 -0.092 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.346 3.670 -1.030 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.225 2.914 -2.029 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.057 2.868 -0.817 1.00 0.00 C ATOM 0 H VAL A 94 -9.187 5.231 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.063 5.547 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.847 3.754 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.363 1.888 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.195 3.405 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.744 2.910 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.307 1.852 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.489 2.838 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.457 3.343 -0.041 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.511 6.407 0.632 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.142 7.069 1.887 1.00 0.00 C ATOM 1725 C PRO A 95 -10.558 6.105 2.938 1.00 0.00 C ATOM 1726 O PRO A 95 -9.823 6.535 3.830 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.442 7.707 2.389 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.527 6.776 1.848 1.00 0.00 C ATOM 1729 CD PRO A 95 -12.964 6.367 0.492 1.00 0.00 C ATOM 0 HA PRO A 95 -10.348 7.797 1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.467 7.764 3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.561 8.723 2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.685 5.916 2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.487 7.284 1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.302 5.369 0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.300 7.047 -0.291 1.00 0.00 H new ATOM 1737 N SER A 96 -10.880 4.813 2.850 1.00 0.00 N ATOM 1738 CA SER A 96 -10.408 3.764 3.760 1.00 0.00 C ATOM 1739 C SER A 96 -10.571 2.362 3.161 1.00 0.00 C ATOM 1740 O SER A 96 -11.372 2.157 2.243 1.00 0.00 O ATOM 1741 CB SER A 96 -11.153 3.846 5.103 1.00 0.00 C ATOM 1742 OG SER A 96 -12.551 3.650 4.939 1.00 0.00 O ATOM 0 H SER A 96 -11.496 4.455 2.120 1.00 0.00 H new ATOM 0 HA SER A 96 -9.343 3.934 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.757 3.094 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.973 4.819 5.561 1.00 0.00 H new ATOM 0 HG SER A 96 -12.994 3.707 5.811 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.824 1.384 3.684 1.00 0.00 N ATOM 1749 CA PHE A 97 -9.933 -0.029 3.296 1.00 0.00 C ATOM 1750 C PHE A 97 -9.451 -0.922 4.458 1.00 0.00 C ATOM 1751 O PHE A 97 -8.619 -0.523 5.277 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.086 -0.282 2.034 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.583 -0.214 2.235 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -6.895 -1.367 2.652 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -6.872 0.982 2.025 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.507 -1.331 2.860 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.479 1.017 2.224 1.00 0.00 C ATOM 1758 CZ PHE A 97 -4.795 -0.146 2.630 1.00 0.00 C ATOM 0 H PHE A 97 -9.116 1.553 4.399 1.00 0.00 H new ATOM 0 HA PHE A 97 -10.973 -0.272 3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.339 -1.266 1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.368 0.448 1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.438 -2.287 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.395 1.873 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.988 -2.216 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.934 1.936 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.724 -0.124 2.764 1.00 0.00 H new ATOM 1768 N SER A 98 -9.958 -2.157 4.519 1.00 0.00 N ATOM 1769 CA SER A 98 -9.524 -3.176 5.486 1.00 0.00 C ATOM 1770 C SER A 98 -8.368 -4.029 4.952 1.00 0.00 C ATOM 1771 O SER A 98 -8.463 -4.610 3.870 1.00 0.00 O ATOM 1772 CB SER A 98 -10.708 -4.058 5.877 1.00 0.00 C ATOM 1773 OG SER A 98 -10.279 -5.080 6.754 1.00 0.00 O ATOM 0 H SER A 98 -10.692 -2.484 3.890 1.00 0.00 H new ATOM 0 HA SER A 98 -9.152 -2.657 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.479 -3.455 6.357 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.156 -4.497 4.985 1.00 0.00 H new ATOM 0 HG SER A 98 -11.044 -5.641 7.002 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.291 -4.154 5.733 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.147 -5.050 5.477 1.00 0.00 C ATOM 1781 C VAL A 99 -6.513 -6.536 5.572 1.00 0.00 C ATOM 1782 O VAL A 99 -5.949 -7.367 4.860 1.00 0.00 O ATOM 1783 CB VAL A 99 -4.941 -4.707 6.374 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.653 -5.373 5.883 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.650 -3.202 6.458 1.00 0.00 C ATOM 0 H VAL A 99 -7.183 -3.617 6.593 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.854 -4.874 4.442 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.229 -5.081 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.829 -5.104 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.780 -6.456 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.431 -5.034 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.789 -3.033 7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.435 -2.817 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.518 -2.686 6.867 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.507 -6.862 6.407 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.085 -8.209 6.568 1.00 0.00 C ATOM 1797 C LYS A 100 -8.825 -8.687 5.308 1.00 0.00 C ATOM 1798 O LYS A 100 -8.843 -9.881 5.012 1.00 0.00 O ATOM 1799 CB LYS A 100 -8.990 -8.155 7.813 1.00 0.00 C ATOM 1800 CG LYS A 100 -9.667 -9.475 8.212 1.00 0.00 C ATOM 1801 CD LYS A 100 -10.609 -9.273 9.413 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.861 -8.923 10.709 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.787 -8.457 11.772 1.00 0.00 N ATOM 0 H LYS A 100 -7.950 -6.172 7.013 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.298 -8.950 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.394 -7.806 8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.766 -7.409 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.230 -9.869 7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.908 -10.216 8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.318 -8.477 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.190 -10.182 9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.315 -9.798 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.123 -8.147 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.376 -8.663 12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.936 -7.432 11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.698 -8.949 11.679 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.386 -7.763 4.527 1.00 0.00 N ATOM 1818 CA GLU A 101 -10.021 -8.018 3.222 1.00 0.00 C ATOM 1819 C GLU A 101 -8.981 -8.132 2.085 1.00 0.00 C ATOM 1820 O GLU A 101 -8.979 -7.351 1.130 1.00 0.00 O ATOM 1821 CB GLU A 101 -11.104 -6.958 2.941 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.273 -7.048 3.937 1.00 0.00 C ATOM 1823 CD GLU A 101 -13.416 -6.050 3.650 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -13.270 -5.137 2.800 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -14.486 -6.173 4.294 1.00 0.00 O ATOM 0 H GLU A 101 -9.415 -6.778 4.791 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.516 -8.988 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.660 -5.964 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.482 -7.086 1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.675 -8.061 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.894 -6.872 4.944 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.071 -9.111 2.190 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.889 -9.235 1.325 1.00 0.00 C ATOM 1834 C HIS A 102 -7.213 -9.230 -0.183 1.00 0.00 C ATOM 1835 O HIS A 102 -6.525 -8.571 -0.966 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.128 -10.532 1.649 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.855 -10.866 3.098 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -5.377 -10.028 4.082 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -5.723 -12.142 3.578 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.986 -10.776 5.126 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.184 -12.081 4.872 1.00 0.00 N ATOM 0 H HIS A 102 -8.137 -9.851 2.889 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.283 -8.353 1.533 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.688 -11.362 1.218 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.169 -10.492 1.132 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -5.328 -9.011 4.026 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -5.989 -13.045 3.049 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.570 -10.384 6.042 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.282 -9.929 -0.599 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.675 -10.082 -2.015 1.00 0.00 C ATOM 1851 C ARG A 103 -9.023 -8.751 -2.688 1.00 0.00 C ATOM 1852 O ARG A 103 -8.649 -8.531 -3.844 1.00 0.00 O ATOM 1853 CB ARG A 103 -9.825 -11.103 -2.106 1.00 0.00 C ATOM 1854 CG ARG A 103 -10.191 -11.461 -3.555 1.00 0.00 C ATOM 1855 CD ARG A 103 -11.258 -12.560 -3.585 1.00 0.00 C ATOM 1856 NE ARG A 103 -11.571 -12.966 -4.970 1.00 0.00 N ATOM 1857 CZ ARG A 103 -12.730 -13.403 -5.434 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -13.788 -13.519 -4.679 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -12.851 -13.741 -6.685 1.00 0.00 N ATOM 0 H ARG A 103 -8.908 -10.412 0.046 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.817 -10.458 -2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.542 -12.011 -1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.704 -10.699 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.559 -10.575 -4.073 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.301 -11.795 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -10.909 -13.425 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.164 -12.204 -3.095 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.808 -12.902 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.740 -13.268 -3.691 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.663 -13.860 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.050 -13.669 -7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -13.747 -14.077 -7.038 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.672 -7.839 -1.954 1.00 0.00 N ATOM 1874 CA LYS A 104 -9.972 -6.474 -2.416 1.00 0.00 C ATOM 1875 C LYS A 104 -8.682 -5.677 -2.633 1.00 0.00 C ATOM 1876 O LYS A 104 -8.533 -5.021 -3.661 1.00 0.00 O ATOM 1877 CB LYS A 104 -10.918 -5.786 -1.414 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.466 -4.457 -1.960 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.312 -3.725 -0.907 1.00 0.00 C ATOM 1880 CE LYS A 104 -12.758 -2.329 -1.373 1.00 0.00 C ATOM 1881 NZ LYS A 104 -13.699 -2.381 -2.525 1.00 0.00 N ATOM 0 H LYS A 104 -10.009 -8.029 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.478 -6.520 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.748 -6.453 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.386 -5.603 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.638 -3.820 -2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.071 -4.648 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.192 -4.324 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.737 -3.630 0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.235 -1.809 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.880 -1.746 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.967 -1.414 -2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.238 -2.852 -3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.551 -2.913 -2.254 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.718 -5.788 -1.713 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.402 -5.149 -1.861 1.00 0.00 C ATOM 1897 C ILE A 105 -5.673 -5.675 -3.099 1.00 0.00 C ATOM 1898 O ILE A 105 -5.226 -4.861 -3.901 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.556 -5.265 -0.573 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.209 -4.401 0.526 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.099 -4.810 -0.794 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.618 -4.639 1.914 1.00 0.00 C ATOM 0 H ILE A 105 -7.825 -6.320 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.563 -4.082 -2.017 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.527 -6.313 -0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.095 -3.349 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.279 -4.609 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.542 -4.909 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.636 -5.431 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.088 -3.768 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.122 -4.000 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.755 -5.684 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.554 -4.404 1.902 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.601 -6.993 -3.326 1.00 0.00 N ATOM 1915 CA TYR A 106 -4.855 -7.546 -4.469 1.00 0.00 C ATOM 1916 C TYR A 106 -5.332 -7.001 -5.828 1.00 0.00 C ATOM 1917 O TYR A 106 -4.510 -6.632 -6.668 1.00 0.00 O ATOM 1918 CB TYR A 106 -4.927 -9.080 -4.483 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.416 -9.814 -3.255 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.258 -9.391 -2.570 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.112 -10.955 -2.812 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.816 -10.091 -1.432 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.689 -11.642 -1.660 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.541 -11.210 -0.969 1.00 0.00 C ATOM 1925 OH TYR A 106 -3.130 -11.889 0.130 1.00 0.00 O ATOM 0 H TYR A 106 -6.048 -7.696 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 106 -3.823 -7.224 -4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.967 -9.367 -4.639 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.365 -9.436 -5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.710 -8.529 -2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.975 -11.304 -3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.924 -9.773 -0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.243 -12.499 -1.306 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.183 -11.700 0.296 1.00 0.00 H new ATOM 1935 N THR A 107 -6.651 -6.891 -6.036 1.00 0.00 N ATOM 1936 CA THR A 107 -7.217 -6.289 -7.257 1.00 0.00 C ATOM 1937 C THR A 107 -7.013 -4.775 -7.412 1.00 0.00 C ATOM 1938 O THR A 107 -6.720 -4.286 -8.506 1.00 0.00 O ATOM 1939 CB THR A 107 -8.651 -6.775 -7.530 1.00 0.00 C ATOM 1940 OG1 THR A 107 -8.892 -6.774 -8.920 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.741 -5.925 -6.878 1.00 0.00 C ATOM 0 H THR A 107 -7.353 -7.213 -5.370 1.00 0.00 H new ATOM 0 HA THR A 107 -6.603 -6.676 -8.070 1.00 0.00 H new ATOM 0 HB THR A 107 -8.706 -7.773 -7.094 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.805 -7.085 -9.094 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.720 -6.338 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.606 -5.927 -5.796 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.676 -4.902 -7.250 1.00 0.00 H new ATOM 1949 N MET A 108 -7.063 -4.019 -6.307 1.00 0.00 N ATOM 1950 CA MET A 108 -6.708 -2.591 -6.310 1.00 0.00 C ATOM 1951 C MET A 108 -5.201 -2.356 -6.521 1.00 0.00 C ATOM 1952 O MET A 108 -4.820 -1.419 -7.220 1.00 0.00 O ATOM 1953 CB MET A 108 -7.175 -1.901 -5.022 1.00 0.00 C ATOM 1954 CG MET A 108 -8.699 -1.887 -4.848 1.00 0.00 C ATOM 1955 SD MET A 108 -9.324 -0.880 -3.466 1.00 0.00 S ATOM 1956 CE MET A 108 -8.544 -1.663 -2.025 1.00 0.00 C ATOM 0 H MET A 108 -7.347 -4.374 -5.394 1.00 0.00 H new ATOM 0 HA MET A 108 -7.229 -2.148 -7.158 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.725 -2.405 -4.167 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.808 -0.875 -5.016 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.149 -1.523 -5.772 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.040 -2.913 -4.710 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.310 -1.930 -1.297 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.015 -2.562 -2.341 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.838 -0.968 -1.571 1.00 0.00 H new ATOM 1966 N MET A 109 -4.339 -3.226 -5.986 1.00 0.00 N ATOM 1967 CA MET A 109 -2.886 -3.198 -6.204 1.00 0.00 C ATOM 1968 C MET A 109 -2.532 -3.503 -7.662 1.00 0.00 C ATOM 1969 O MET A 109 -1.704 -2.809 -8.248 1.00 0.00 O ATOM 1970 CB MET A 109 -2.179 -4.190 -5.264 1.00 0.00 C ATOM 1971 CG MET A 109 -2.235 -3.753 -3.795 1.00 0.00 C ATOM 1972 SD MET A 109 -1.222 -2.321 -3.349 1.00 0.00 S ATOM 1973 CE MET A 109 0.429 -3.054 -3.450 1.00 0.00 C ATOM 0 H MET A 109 -4.637 -3.987 -5.375 1.00 0.00 H new ATOM 0 HA MET A 109 -2.538 -2.190 -5.979 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.641 -5.172 -5.365 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.138 -4.294 -5.569 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.272 -3.531 -3.543 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.929 -4.596 -3.175 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.074 -2.604 -2.695 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.361 -4.128 -3.277 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.848 -2.872 -4.440 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.218 -4.462 -8.295 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.087 -4.723 -9.730 1.00 0.00 C ATOM 1985 C ALA A 110 -3.483 -3.501 -10.592 1.00 0.00 C ATOM 1986 O ALA A 110 -2.861 -3.240 -11.622 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.929 -5.959 -10.062 1.00 0.00 C ATOM 0 H ALA A 110 -3.880 -5.079 -7.824 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.041 -4.912 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.850 -6.178 -11.127 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.565 -6.812 -9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.971 -5.768 -9.807 1.00 0.00 H new ATOM 1993 N SER A 111 -4.452 -2.692 -10.141 1.00 0.00 N ATOM 1994 CA SER A 111 -4.821 -1.413 -10.779 1.00 0.00 C ATOM 1995 C SER A 111 -3.764 -0.303 -10.616 1.00 0.00 C ATOM 1996 O SER A 111 -3.785 0.689 -11.350 1.00 0.00 O ATOM 1997 CB SER A 111 -6.184 -0.924 -10.269 1.00 0.00 C ATOM 1998 OG SER A 111 -7.211 -1.848 -10.600 1.00 0.00 O ATOM 0 H SER A 111 -5.010 -2.906 -9.314 1.00 0.00 H new ATOM 0 HA SER A 111 -4.880 -1.624 -11.847 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.145 -0.789 -9.188 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.411 0.049 -10.704 1.00 0.00 H new ATOM 0 HG SER A 111 -7.137 -2.639 -10.026 1.00 0.00 H new ATOM 2004 N MET A 112 -2.796 -0.458 -9.701 1.00 0.00 N ATOM 2005 CA MET A 112 -1.616 0.418 -9.611 1.00 0.00 C ATOM 2006 C MET A 112 -0.505 0.040 -10.608 1.00 0.00 C ATOM 2007 O MET A 112 0.422 0.822 -10.818 1.00 0.00 O ATOM 2008 CB MET A 112 -1.045 0.464 -8.187 1.00 0.00 C ATOM 2009 CG MET A 112 -2.078 0.826 -7.118 1.00 0.00 C ATOM 2010 SD MET A 112 -1.370 0.984 -5.460 1.00 0.00 S ATOM 2011 CE MET A 112 -2.898 0.956 -4.494 1.00 0.00 C ATOM 0 H MET A 112 -2.809 -1.198 -8.999 1.00 0.00 H new ATOM 0 HA MET A 112 -1.974 1.412 -9.880 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.613 -0.508 -7.947 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.233 1.190 -8.155 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.559 1.765 -7.391 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.856 0.063 -7.102 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.664 1.097 -3.439 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.556 1.757 -4.830 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.397 -0.004 -4.630 1.00 0.00 H new ATOM 2021 N THR A 113 -0.606 -1.136 -11.235 1.00 0.00 N ATOM 2022 CA THR A 113 0.392 -1.744 -12.135 1.00 0.00 C ATOM 2023 C THR A 113 -0.125 -2.145 -13.528 1.00 0.00 C ATOM 2024 O THR A 113 0.525 -2.890 -14.264 1.00 0.00 O ATOM 2025 CB THR A 113 1.242 -2.829 -11.435 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.629 -4.097 -11.538 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.511 -2.594 -9.943 1.00 0.00 C ATOM 0 H THR A 113 -1.431 -1.726 -11.125 1.00 0.00 H new ATOM 0 HA THR A 113 1.077 -0.929 -12.369 1.00 0.00 H new ATOM 0 HB THR A 113 2.195 -2.778 -11.962 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.282 -4.751 -11.864 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.115 -3.412 -9.549 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.046 -1.653 -9.813 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.564 -2.550 -9.405 1.00 0.00 H new