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 102 HIS : no HD1:sc= 0.19 X(o=0.36,f=-0.018) USER MOD Set 1.2: A 106 TYR OH : rot 117:sc= 0.174 USER MOD Set 2.1: A 79 HIS : no HE2:sc= 1.07 K(o=2.1,f=-4.3!) USER MOD Set 2.2: A 98 SER OG : rot 180:sc= 0.425 USER MOD Set 2.3: A 100 LYS NZ :NH3+ -151:sc= 0.586 (180deg=0) USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= 0.00539 USER MOD Set 3.2: A 70 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.19) USER MOD Single : A 0 MET CE :methyl 175:sc= 0 (180deg=-0.0599) USER MOD Single : A -5 TYR OH : rot 180:sc= -0.01 USER MOD Single : A -8 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 68:sc= 0.964 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= 1.23 (180deg=0.844) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 142:sc= 0.463 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.362 USER MOD Single : A 56 MET CE :methyl -179:sc= 0 (180deg=-0.000892) USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00219) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 68 MET CE :methyl 177:sc=-0.00156 (180deg=-0.0258) 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+ -162:sc= 1.33 (180deg=1.02) USER MOD Single : A 77 GLN : amide:sc= -0.0227 K(o=-0.023,f=-0.63) USER MOD Single : A 78 GLN : amide:sc= 0.472 K(o=0.47,f=-0.056) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 40:sc= -1.47 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -154:sc= 1.26 (180deg=0.936) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -176:sc=-0.00801 (180deg=-0.0226) USER MOD Single : A 109 MET CE :methyl 155:sc= -0.317 (180deg=-1.69) USER MOD Single : A 111 SER OG : rot -79:sc= 1.27 USER MOD Single : A 112 MET CE :methyl -160:sc= -0.439 (180deg=-1.39) USER MOD Single : A 113 THR OG1 : rot -168:sc= 0.00848 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A -8 -0.663 -3.075 12.675 1.00 0.00 N ATOM 59 CA PHE A -8 -0.872 -2.985 11.225 1.00 0.00 C ATOM 60 C PHE A -8 -0.029 -3.935 10.357 1.00 0.00 C ATOM 61 O PHE A -8 -0.558 -4.695 9.542 1.00 0.00 O ATOM 62 CB PHE A -8 -0.811 -1.523 10.747 1.00 0.00 C ATOM 63 CG PHE A -8 -0.551 -1.394 9.259 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.611 -1.541 8.345 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.771 -1.265 8.789 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.342 -1.590 6.965 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.037 -1.335 7.413 1.00 0.00 C ATOM 68 CZ PHE A -8 -0.018 -1.506 6.502 1.00 0.00 C ATOM 0 H1 PHE A -8 -1.281 -2.392 13.158 1.00 0.00 H new ATOM 0 H2 PHE A -8 -0.890 -4.037 12.999 1.00 0.00 H new ATOM 0 H3 PHE A -8 0.330 -2.860 12.897 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.883 -3.360 11.068 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.751 -1.028 10.990 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.026 -1.001 11.294 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.628 -1.616 8.702 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.580 -1.112 9.488 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.154 -1.692 6.261 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.053 -1.257 7.055 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.189 -1.573 5.444 1.00 0.00 H new ATOM 78 N TRP A -7 1.291 -3.927 10.574 1.00 0.00 N ATOM 79 CA TRP A -7 2.237 -4.728 9.790 1.00 0.00 C ATOM 80 C TRP A -7 2.051 -6.239 9.988 1.00 0.00 C ATOM 81 O TRP A -7 2.199 -7.011 9.044 1.00 0.00 O ATOM 82 CB TRP A -7 3.666 -4.275 10.106 1.00 0.00 C ATOM 83 CG TRP A -7 4.752 -5.030 9.400 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.329 -6.167 9.853 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.207 -4.886 8.015 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.184 -6.675 8.894 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.139 -5.932 7.733 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.943 -3.966 6.975 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.786 -6.053 6.494 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.601 -4.071 5.732 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.519 -5.107 5.491 1.00 0.00 C ATOM 0 H TRP A -7 1.734 -3.364 11.300 1.00 0.00 H new ATOM 0 HA TRP A -7 2.035 -4.555 8.733 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.758 -3.219 9.853 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.827 -4.361 11.181 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.148 -6.611 10.821 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.774 -7.496 9.028 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.228 -3.172 7.134 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.479 -6.862 6.314 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.397 -3.347 4.957 1.00 0.00 H new ATOM 0 HH2 TRP A -7 7.019 -5.176 4.536 1.00 0.00 H new ATOM 102 N GLU A -6 1.638 -6.665 11.186 1.00 0.00 N ATOM 103 CA GLU A -6 1.317 -8.069 11.492 1.00 0.00 C ATOM 104 C GLU A -6 0.124 -8.594 10.668 1.00 0.00 C ATOM 105 O GLU A -6 0.054 -9.794 10.394 1.00 0.00 O ATOM 106 CB GLU A -6 1.081 -8.230 13.005 1.00 0.00 C ATOM 107 CG GLU A -6 2.376 -8.008 13.810 1.00 0.00 C ATOM 108 CD GLU A -6 2.174 -7.955 15.339 1.00 0.00 C ATOM 109 OE1 GLU A -6 1.043 -7.703 15.820 1.00 0.00 O ATOM 110 OE2 GLU A -6 3.176 -8.133 16.075 1.00 0.00 O ATOM 0 H GLU A -6 1.515 -6.040 11.982 1.00 0.00 H new ATOM 0 HA GLU A -6 2.171 -8.682 11.202 1.00 0.00 H new ATOM 0 HB2 GLU A -6 0.322 -7.519 13.333 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.692 -9.228 13.209 1.00 0.00 H new ATOM 0 HG2 GLU A -6 3.077 -8.809 13.576 1.00 0.00 H new ATOM 0 HG3 GLU A -6 2.837 -7.076 13.484 1.00 0.00 H new ATOM 117 N TYR A -5 -0.779 -7.704 10.234 1.00 0.00 N ATOM 118 CA TYR A -5 -1.807 -7.971 9.222 1.00 0.00 C ATOM 119 C TYR A -5 -1.350 -7.838 7.762 1.00 0.00 C ATOM 120 O TYR A -5 -1.645 -8.689 6.924 1.00 0.00 O ATOM 121 CB TYR A -5 -3.092 -7.176 9.494 1.00 0.00 C ATOM 122 CG TYR A -5 -4.014 -7.782 10.532 1.00 0.00 C ATOM 123 CD1 TYR A -5 -4.868 -8.839 10.162 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.057 -7.269 11.844 1.00 0.00 C ATOM 125 CE1 TYR A -5 -5.773 -9.376 11.095 1.00 0.00 C ATOM 126 CE2 TYR A -5 -4.978 -7.791 12.775 1.00 0.00 C ATOM 127 CZ TYR A -5 -5.839 -8.847 12.401 1.00 0.00 C ATOM 128 OH TYR A -5 -6.748 -9.346 13.283 1.00 0.00 O ATOM 0 H TYR A -5 -0.814 -6.749 10.590 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.025 -9.033 9.335 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.818 -6.171 9.816 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.642 -7.072 8.558 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -4.828 -9.238 9.159 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.384 -6.476 12.136 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.418 -10.194 10.811 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -5.025 -7.384 13.774 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.665 -8.876 14.139 1.00 0.00 H new ATOM 138 N TRP A -4 -0.589 -6.785 7.458 1.00 0.00 N ATOM 139 CA TRP A -4 -0.098 -6.482 6.107 1.00 0.00 C ATOM 140 C TRP A -4 0.866 -7.556 5.580 1.00 0.00 C ATOM 141 O TRP A -4 0.838 -7.891 4.396 1.00 0.00 O ATOM 142 CB TRP A -4 0.582 -5.112 6.156 1.00 0.00 C ATOM 143 CG TRP A -4 0.911 -4.541 4.820 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.055 -4.755 4.133 1.00 0.00 C ATOM 145 CD2 TRP A -4 -0.003 -3.905 3.875 1.00 0.00 C ATOM 146 NE1 TRP A -4 1.945 -4.193 2.877 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.694 -3.668 2.657 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.355 -3.506 3.932 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.093 -3.043 1.555 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.974 -2.888 2.828 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.253 -2.649 1.645 1.00 0.00 C ATOM 0 H TRP A -4 -0.289 -6.104 8.156 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.939 -6.471 5.413 1.00 0.00 H new ATOM 0 HB2 TRP A -4 -0.068 -4.416 6.685 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.500 -5.196 6.738 1.00 0.00 H new ATOM 0 HD1 TRP A -4 2.919 -5.283 4.508 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.702 -4.170 2.194 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.923 -3.677 4.834 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.656 -2.867 0.650 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -3.012 -2.595 2.891 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.732 -2.164 0.808 1.00 0.00 H new ATOM 162 N LEU A -3 1.655 -8.181 6.459 1.00 0.00 N ATOM 163 CA LEU A -3 2.525 -9.312 6.129 1.00 0.00 C ATOM 164 C LEU A -3 1.752 -10.498 5.512 1.00 0.00 C ATOM 165 O LEU A -3 2.274 -11.205 4.650 1.00 0.00 O ATOM 166 CB LEU A -3 3.260 -9.716 7.420 1.00 0.00 C ATOM 167 CG LEU A -3 4.362 -10.774 7.232 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.574 -10.178 6.513 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.822 -11.286 8.598 1.00 0.00 C ATOM 0 H LEU A -3 1.707 -7.908 7.441 1.00 0.00 H new ATOM 0 HA LEU A -3 3.239 -9.014 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.704 -8.824 7.863 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.529 -10.096 8.134 1.00 0.00 H new ATOM 0 HG LEU A -3 3.949 -11.587 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.339 -10.945 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.271 -9.810 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.977 -9.354 7.101 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.602 -12.035 8.462 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.215 -10.455 9.185 1.00 0.00 H new ATOM 0 HD23 LEU A -3 3.977 -11.733 9.122 1.00 0.00 H new ATOM 181 N ARG A -2 0.484 -10.689 5.904 1.00 0.00 N ATOM 182 CA ARG A -2 -0.379 -11.784 5.423 1.00 0.00 C ATOM 183 C ARG A -2 -0.834 -11.569 3.975 1.00 0.00 C ATOM 184 O ARG A -2 -1.209 -12.539 3.319 1.00 0.00 O ATOM 185 CB ARG A -2 -1.600 -11.964 6.350 1.00 0.00 C ATOM 186 CG ARG A -2 -1.301 -11.911 7.860 1.00 0.00 C ATOM 187 CD ARG A -2 -0.228 -12.901 8.334 1.00 0.00 C ATOM 188 NE ARG A -2 0.198 -12.558 9.701 1.00 0.00 N ATOM 189 CZ ARG A -2 0.735 -13.347 10.611 1.00 0.00 C ATOM 190 NH1 ARG A -2 0.987 -14.607 10.386 1.00 0.00 N ATOM 191 NH2 ARG A -2 1.038 -12.865 11.781 1.00 0.00 N ATOM 0 H ARG A -2 0.019 -10.078 6.575 1.00 0.00 H new ATOM 0 HA ARG A -2 0.219 -12.695 5.444 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -2.330 -11.189 6.115 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.068 -12.922 6.124 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -0.984 -10.901 8.119 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.224 -12.106 8.407 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -0.622 -13.917 8.310 1.00 0.00 H new ATOM 0 HD3 ARG A -2 0.628 -12.875 7.659 1.00 0.00 H new ATOM 0 HE ARG A -2 0.060 -11.587 9.980 1.00 0.00 H new ATOM 0 HH11 ARG A -2 0.768 -15.017 9.478 1.00 0.00 H new ATOM 0 HH12 ARG A -2 1.403 -15.182 11.118 1.00 0.00 H new ATOM 0 HH21 ARG A -2 0.860 -11.883 11.990 1.00 0.00 H new ATOM 0 HH22 ARG A -2 1.454 -13.470 12.490 1.00 0.00 H new ATOM 205 N LEU A -1 -0.765 -10.333 3.467 1.00 0.00 N ATOM 206 CA LEU A -1 -0.988 -10.022 2.052 1.00 0.00 C ATOM 207 C LEU A -1 0.158 -10.535 1.169 1.00 0.00 C ATOM 208 O LEU A -1 -0.083 -11.213 0.170 1.00 0.00 O ATOM 209 CB LEU A -1 -1.127 -8.508 1.842 1.00 0.00 C ATOM 210 CG LEU A -1 -2.296 -7.812 2.551 1.00 0.00 C ATOM 211 CD1 LEU A -1 -2.250 -6.355 2.099 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.664 -8.389 2.184 1.00 0.00 C ATOM 0 H LEU A -1 -0.550 -9.512 4.034 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.911 -10.525 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.202 -8.034 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -1.220 -8.321 0.772 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.186 -7.945 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -3.062 -5.802 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.295 -5.915 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -2.360 -6.306 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.443 -7.849 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.826 -8.286 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.699 -9.444 2.457 1.00 0.00 H new ATOM 224 N MET A 0 1.412 -10.224 1.526 1.00 0.00 N ATOM 225 CA MET A 0 2.563 -10.674 0.730 1.00 0.00 C ATOM 226 C MET A 0 2.785 -12.193 0.865 1.00 0.00 C ATOM 227 O MET A 0 3.207 -12.849 -0.087 1.00 0.00 O ATOM 228 CB MET A 0 3.829 -9.864 1.052 1.00 0.00 C ATOM 229 CG MET A 0 4.400 -10.087 2.457 1.00 0.00 C ATOM 230 SD MET A 0 6.051 -9.387 2.717 1.00 0.00 S ATOM 231 CE MET A 0 5.633 -7.630 2.840 1.00 0.00 C ATOM 0 H MET A 0 1.654 -9.671 2.348 1.00 0.00 H new ATOM 0 HA MET A 0 2.332 -10.483 -0.318 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.597 -10.113 0.320 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.605 -8.804 0.931 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.716 -9.653 3.186 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.438 -11.158 2.654 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.528 -7.060 3.090 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.236 -7.283 1.886 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.883 -7.488 3.618 1.00 0.00 H new ATOM 241 N GLU A 1 2.426 -12.770 2.016 1.00 0.00 N ATOM 242 CA GLU A 1 2.346 -14.219 2.262 1.00 0.00 C ATOM 243 C GLU A 1 1.003 -14.834 1.794 1.00 0.00 C ATOM 244 O GLU A 1 0.562 -15.860 2.318 1.00 0.00 O ATOM 245 CB GLU A 1 2.646 -14.518 3.748 1.00 0.00 C ATOM 246 CG GLU A 1 4.060 -14.112 4.207 1.00 0.00 C ATOM 247 CD GLU A 1 5.210 -14.901 3.543 1.00 0.00 C ATOM 248 OE1 GLU A 1 4.976 -15.958 2.906 1.00 0.00 O ATOM 249 OE2 GLU A 1 6.382 -14.474 3.679 1.00 0.00 O ATOM 0 H GLU A 1 2.172 -12.221 2.837 1.00 0.00 H new ATOM 0 HA GLU A 1 3.109 -14.705 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.914 -13.998 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.512 -15.585 3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.202 -13.051 4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.127 -14.241 5.287 1.00 0.00 H new ATOM 678 N LEU A 33 9.541 -8.900 -12.161 1.00 0.00 N ATOM 679 CA LEU A 33 9.522 -7.433 -12.138 1.00 0.00 C ATOM 680 C LEU A 33 8.325 -6.851 -12.912 1.00 0.00 C ATOM 681 O LEU A 33 7.890 -7.397 -13.930 1.00 0.00 O ATOM 682 CB LEU A 33 10.834 -6.870 -12.717 1.00 0.00 C ATOM 683 CG LEU A 33 12.102 -7.156 -11.892 1.00 0.00 C ATOM 684 CD1 LEU A 33 13.322 -6.655 -12.666 1.00 0.00 C ATOM 685 CD2 LEU A 33 12.090 -6.452 -10.531 1.00 0.00 C ATOM 0 HA LEU A 33 9.420 -7.134 -11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.973 -7.279 -13.718 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.729 -5.791 -12.825 1.00 0.00 H new ATOM 0 HG LEU A 33 12.139 -8.232 -11.722 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.225 -6.853 -12.089 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.382 -7.171 -13.624 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.229 -5.583 -12.837 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.007 -6.688 -9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.023 -5.374 -10.679 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.231 -6.792 -9.953 1.00 0.00 H new ATOM 697 N VAL A 34 7.849 -5.694 -12.450 1.00 0.00 N ATOM 698 CA VAL A 34 6.775 -4.872 -13.027 1.00 0.00 C ATOM 699 C VAL A 34 7.143 -3.394 -13.115 1.00 0.00 C ATOM 700 O VAL A 34 8.069 -2.936 -12.438 1.00 0.00 O ATOM 701 CB VAL A 34 5.412 -5.064 -12.316 1.00 0.00 C ATOM 702 CG1 VAL A 34 5.161 -6.514 -11.916 1.00 0.00 C ATOM 703 CG2 VAL A 34 5.240 -4.204 -11.057 1.00 0.00 C ATOM 0 H VAL A 34 8.229 -5.273 -11.602 1.00 0.00 H new ATOM 0 HA VAL A 34 6.657 -5.239 -14.047 1.00 0.00 H new ATOM 0 HB VAL A 34 4.688 -4.744 -13.065 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.193 -6.593 -11.422 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.166 -7.143 -12.806 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.944 -6.844 -11.234 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.261 -4.395 -10.617 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.018 -4.455 -10.336 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.319 -3.150 -11.323 1.00 0.00 H new ATOM 713 N ARG A 35 6.383 -2.644 -13.920 1.00 0.00 N ATOM 714 CA ARG A 35 6.420 -1.178 -13.971 1.00 0.00 C ATOM 715 C ARG A 35 5.247 -0.565 -13.177 1.00 0.00 C ATOM 716 O ARG A 35 4.165 -0.403 -13.748 1.00 0.00 O ATOM 717 CB ARG A 35 6.419 -0.699 -15.438 1.00 0.00 C ATOM 718 CG ARG A 35 7.693 -1.020 -16.234 1.00 0.00 C ATOM 719 CD ARG A 35 8.911 -0.228 -15.743 1.00 0.00 C ATOM 720 NE ARG A 35 10.041 -0.346 -16.687 1.00 0.00 N ATOM 721 CZ ARG A 35 11.188 0.305 -16.615 1.00 0.00 C ATOM 722 NH1 ARG A 35 11.484 1.071 -15.609 1.00 0.00 N ATOM 723 NH2 ARG A 35 12.083 0.195 -17.552 1.00 0.00 N ATOM 0 H ARG A 35 5.709 -3.049 -14.570 1.00 0.00 H new ATOM 0 HA ARG A 35 7.342 -0.836 -13.500 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.568 -1.149 -15.949 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.265 0.380 -15.451 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.904 -2.087 -16.160 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.523 -0.801 -17.288 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.642 0.821 -15.624 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.214 -0.593 -14.762 1.00 0.00 H new ATOM 0 HE ARG A 35 9.925 -0.991 -17.468 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.821 1.184 -14.842 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.379 1.559 -15.586 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.905 -0.402 -18.360 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.963 0.705 -17.479 1.00 0.00 H new ATOM 737 N PRO A 36 5.407 -0.242 -11.878 1.00 0.00 N ATOM 738 CA PRO A 36 4.375 0.476 -11.127 1.00 0.00 C ATOM 739 C PRO A 36 4.129 1.893 -11.680 1.00 0.00 C ATOM 740 O PRO A 36 5.025 2.506 -12.271 1.00 0.00 O ATOM 741 CB PRO A 36 4.850 0.491 -9.671 1.00 0.00 C ATOM 742 CG PRO A 36 6.362 0.312 -9.760 1.00 0.00 C ATOM 743 CD PRO A 36 6.557 -0.522 -11.024 1.00 0.00 C ATOM 0 HA PRO A 36 3.409 -0.020 -11.216 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.590 1.428 -9.178 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.389 -0.311 -9.095 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.875 1.271 -9.831 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.757 -0.196 -8.880 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.488 -0.257 -11.525 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.615 -1.584 -10.785 1.00 0.00 H new ATOM 751 N LYS A 37 2.914 2.425 -11.481 1.00 0.00 N ATOM 752 CA LYS A 37 2.520 3.782 -11.909 1.00 0.00 C ATOM 753 C LYS A 37 3.408 4.873 -11.279 1.00 0.00 C ATOM 754 O LYS A 37 3.850 4.686 -10.144 1.00 0.00 O ATOM 755 CB LYS A 37 1.031 4.050 -11.599 1.00 0.00 C ATOM 756 CG LYS A 37 0.080 3.187 -12.448 1.00 0.00 C ATOM 757 CD LYS A 37 -1.358 3.732 -12.505 1.00 0.00 C ATOM 758 CE LYS A 37 -2.103 3.730 -11.158 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.499 4.211 -11.329 1.00 0.00 N ATOM 0 H LYS A 37 2.163 1.919 -11.011 1.00 0.00 H new ATOM 0 HA LYS A 37 2.665 3.827 -12.988 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.844 3.857 -10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.812 5.103 -11.774 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.474 3.117 -13.462 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.061 2.175 -12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.330 4.752 -12.887 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.928 3.139 -13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.109 2.723 -10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.578 4.367 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.984 4.202 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.489 5.180 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.002 3.587 -11.992 1.00 0.00 H new ATOM 773 N PRO A 38 3.612 6.042 -11.924 1.00 0.00 N ATOM 774 CA PRO A 38 4.398 7.146 -11.353 1.00 0.00 C ATOM 775 C PRO A 38 3.902 7.619 -9.976 1.00 0.00 C ATOM 776 O PRO A 38 4.708 7.935 -9.099 1.00 0.00 O ATOM 777 CB PRO A 38 4.329 8.274 -12.389 1.00 0.00 C ATOM 778 CG PRO A 38 4.125 7.527 -13.706 1.00 0.00 C ATOM 779 CD PRO A 38 3.232 6.361 -13.294 1.00 0.00 C ATOM 0 HA PRO A 38 5.419 6.815 -11.162 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.507 8.960 -12.184 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.243 8.867 -12.400 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.649 8.156 -14.459 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.070 7.184 -14.128 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.178 6.633 -13.355 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.378 5.504 -13.951 1.00 0.00 H new ATOM 787 N LEU A 39 2.581 7.597 -9.756 1.00 0.00 N ATOM 788 CA LEU A 39 1.948 7.914 -8.469 1.00 0.00 C ATOM 789 C LEU A 39 2.369 6.936 -7.354 1.00 0.00 C ATOM 790 O LEU A 39 2.612 7.355 -6.222 1.00 0.00 O ATOM 791 CB LEU A 39 0.420 7.922 -8.680 1.00 0.00 C ATOM 792 CG LEU A 39 -0.403 8.377 -7.458 1.00 0.00 C ATOM 793 CD1 LEU A 39 -0.200 9.867 -7.172 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.893 8.151 -7.716 1.00 0.00 C ATOM 0 H LEU A 39 1.908 7.353 -10.483 1.00 0.00 H new ATOM 0 HA LEU A 39 2.281 8.896 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.188 8.576 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.102 6.918 -8.960 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.063 7.792 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.794 10.155 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.854 10.058 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.515 10.450 -8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.466 8.475 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.202 8.725 -8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.075 7.091 -7.895 1.00 0.00 H new ATOM 806 N LEU A 40 2.501 5.644 -7.680 1.00 0.00 N ATOM 807 CA LEU A 40 2.996 4.625 -6.752 1.00 0.00 C ATOM 808 C LEU A 40 4.509 4.733 -6.560 1.00 0.00 C ATOM 809 O LEU A 40 4.985 4.705 -5.432 1.00 0.00 O ATOM 810 CB LEU A 40 2.593 3.223 -7.243 1.00 0.00 C ATOM 811 CG LEU A 40 3.052 2.094 -6.297 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.418 2.225 -4.909 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.707 0.717 -6.866 1.00 0.00 C ATOM 0 H LEU A 40 2.265 5.276 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 40 2.537 4.795 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.509 3.180 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.019 3.055 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 40 4.134 2.190 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.766 1.412 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.704 3.180 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.333 2.177 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.044 -0.057 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.628 0.639 -7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.203 0.586 -7.828 1.00 0.00 H new ATOM 825 N LEU A 41 5.267 4.909 -7.642 1.00 0.00 N ATOM 826 CA LEU A 41 6.721 5.084 -7.599 1.00 0.00 C ATOM 827 C LEU A 41 7.132 6.247 -6.676 1.00 0.00 C ATOM 828 O LEU A 41 8.067 6.103 -5.892 1.00 0.00 O ATOM 829 CB LEU A 41 7.223 5.241 -9.043 1.00 0.00 C ATOM 830 CG LEU A 41 8.718 5.571 -9.194 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.640 4.515 -8.577 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.062 5.693 -10.678 1.00 0.00 C ATOM 0 H LEU A 41 4.884 4.935 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 41 7.195 4.207 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.017 4.317 -9.583 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.645 6.028 -9.526 1.00 0.00 H new ATOM 0 HG LEU A 41 8.882 6.507 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.679 4.811 -8.720 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.431 4.427 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.467 3.554 -9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.121 5.927 -10.788 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.844 4.751 -11.181 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.466 6.489 -11.125 1.00 0.00 H new ATOM 844 N LYS A 42 6.379 7.353 -6.676 1.00 0.00 N ATOM 845 CA LYS A 42 6.538 8.459 -5.713 1.00 0.00 C ATOM 846 C LYS A 42 6.360 8.017 -4.250 1.00 0.00 C ATOM 847 O LYS A 42 7.137 8.431 -3.391 1.00 0.00 O ATOM 848 CB LYS A 42 5.552 9.577 -6.097 1.00 0.00 C ATOM 849 CG LYS A 42 5.661 10.809 -5.183 1.00 0.00 C ATOM 850 CD LYS A 42 4.823 11.993 -5.689 1.00 0.00 C ATOM 851 CE LYS A 42 3.315 11.713 -5.629 1.00 0.00 C ATOM 852 NZ LYS A 42 2.527 12.898 -6.064 1.00 0.00 N ATOM 0 H LYS A 42 5.631 7.511 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 42 7.562 8.827 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.735 9.878 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.535 9.188 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.336 10.541 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.705 11.112 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.049 12.876 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.106 12.222 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.076 10.861 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.034 11.440 -4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.512 12.678 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.739 13.703 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.779 13.142 -7.043 1.00 0.00 H new ATOM 866 N LEU A 43 5.390 7.145 -3.960 1.00 0.00 N ATOM 867 CA LEU A 43 5.194 6.542 -2.633 1.00 0.00 C ATOM 868 C LEU A 43 6.360 5.615 -2.243 1.00 0.00 C ATOM 869 O LEU A 43 6.884 5.732 -1.135 1.00 0.00 O ATOM 870 CB LEU A 43 3.822 5.836 -2.592 1.00 0.00 C ATOM 871 CG LEU A 43 3.441 5.245 -1.220 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.923 5.094 -1.127 1.00 0.00 C ATOM 873 CD2 LEU A 43 4.017 3.845 -0.986 1.00 0.00 C ATOM 0 H LEU A 43 4.707 6.832 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 43 5.192 7.329 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.053 6.548 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.819 5.035 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 43 3.846 5.934 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.658 4.676 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.452 6.070 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.575 4.428 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.712 3.486 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.644 3.165 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.105 3.886 -1.036 1.00 0.00 H new ATOM 885 N LEU A 44 6.822 4.749 -3.155 1.00 0.00 N ATOM 886 CA LEU A 44 7.990 3.884 -2.931 1.00 0.00 C ATOM 887 C LEU A 44 9.242 4.734 -2.626 1.00 0.00 C ATOM 888 O LEU A 44 9.986 4.465 -1.684 1.00 0.00 O ATOM 889 CB LEU A 44 8.221 2.958 -4.151 1.00 0.00 C ATOM 890 CG LEU A 44 7.032 2.093 -4.623 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.392 1.345 -5.908 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.601 1.048 -3.599 1.00 0.00 C ATOM 0 H LEU A 44 6.395 4.628 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 44 7.796 3.252 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.540 3.578 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.050 2.291 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 44 6.210 2.791 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.543 0.740 -6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.640 2.063 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.250 0.698 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.762 0.476 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.434 0.376 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.299 1.545 -2.677 1.00 0.00 H new ATOM 904 N LYS A 45 9.448 5.825 -3.370 1.00 0.00 N ATOM 905 CA LYS A 45 10.561 6.773 -3.182 1.00 0.00 C ATOM 906 C LYS A 45 10.430 7.656 -1.938 1.00 0.00 C ATOM 907 O LYS A 45 11.450 8.048 -1.374 1.00 0.00 O ATOM 908 CB LYS A 45 10.734 7.604 -4.457 1.00 0.00 C ATOM 909 CG LYS A 45 11.221 6.700 -5.603 1.00 0.00 C ATOM 910 CD LYS A 45 11.084 7.377 -6.963 1.00 0.00 C ATOM 911 CE LYS A 45 12.288 8.260 -7.256 1.00 0.00 C ATOM 912 NZ LYS A 45 12.110 9.060 -8.497 1.00 0.00 N ATOM 0 H LYS A 45 8.832 6.084 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 45 11.460 6.185 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.788 8.073 -4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.451 8.407 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.264 6.432 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.649 5.772 -5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.985 6.621 -7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.174 7.977 -6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.457 8.931 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.178 7.638 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.954 9.646 -8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.975 8.420 -9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.276 9.674 -8.398 1.00 0.00 H new ATOM 926 N SER A 46 9.214 7.880 -1.437 1.00 0.00 N ATOM 927 CA SER A 46 8.972 8.524 -0.131 1.00 0.00 C ATOM 928 C SER A 46 9.499 7.687 1.048 1.00 0.00 C ATOM 929 O SER A 46 9.820 8.243 2.100 1.00 0.00 O ATOM 930 CB SER A 46 7.482 8.831 0.068 1.00 0.00 C ATOM 931 OG SER A 46 7.035 9.769 -0.896 1.00 0.00 O ATOM 0 H SER A 46 8.357 7.620 -1.926 1.00 0.00 H new ATOM 0 HA SER A 46 9.530 9.460 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.901 7.912 -0.014 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.317 9.225 1.071 1.00 0.00 H new ATOM 0 HG SER A 46 7.051 9.357 -1.785 1.00 0.00 H new ATOM 937 N VAL A 47 9.647 6.368 0.860 1.00 0.00 N ATOM 938 CA VAL A 47 10.350 5.436 1.772 1.00 0.00 C ATOM 939 C VAL A 47 11.735 4.997 1.252 1.00 0.00 C ATOM 940 O VAL A 47 12.344 4.072 1.792 1.00 0.00 O ATOM 941 CB VAL A 47 9.451 4.267 2.229 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.130 4.770 2.817 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.121 3.268 1.117 1.00 0.00 C ATOM 0 H VAL A 47 9.268 5.897 0.039 1.00 0.00 H new ATOM 0 HA VAL A 47 10.569 6.004 2.676 1.00 0.00 H new ATOM 0 HB VAL A 47 10.041 3.752 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.523 3.920 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.334 5.405 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.591 5.344 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.486 2.476 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.598 3.781 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.044 2.834 0.732 1.00 0.00 H new ATOM 953 N GLY A 48 12.271 5.695 0.242 1.00 0.00 N ATOM 954 CA GLY A 48 13.657 5.576 -0.226 1.00 0.00 C ATOM 955 C GLY A 48 13.942 4.436 -1.213 1.00 0.00 C ATOM 956 O GLY A 48 15.066 3.930 -1.234 1.00 0.00 O ATOM 0 H GLY A 48 11.734 6.380 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.942 6.517 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.302 5.447 0.643 1.00 0.00 H new ATOM 960 N ALA A 49 12.960 4.005 -2.013 1.00 0.00 N ATOM 961 CA ALA A 49 13.144 2.916 -2.971 1.00 0.00 C ATOM 962 C ALA A 49 14.023 3.363 -4.165 1.00 0.00 C ATOM 963 O ALA A 49 13.825 4.447 -4.721 1.00 0.00 O ATOM 964 CB ALA A 49 11.755 2.417 -3.368 1.00 0.00 C ATOM 0 H ALA A 49 12.020 4.401 -2.013 1.00 0.00 H new ATOM 0 HA ALA A 49 13.693 2.085 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.852 1.601 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.229 2.061 -2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.191 3.232 -3.821 1.00 0.00 H new ATOM 970 N GLN A 50 15.024 2.554 -4.538 1.00 0.00 N ATOM 971 CA GLN A 50 16.094 2.947 -5.476 1.00 0.00 C ATOM 972 C GLN A 50 15.800 2.708 -6.974 1.00 0.00 C ATOM 973 O GLN A 50 16.302 3.447 -7.827 1.00 0.00 O ATOM 974 CB GLN A 50 17.377 2.213 -5.029 1.00 0.00 C ATOM 975 CG GLN A 50 18.635 2.451 -5.888 1.00 0.00 C ATOM 976 CD GLN A 50 19.123 3.903 -5.927 1.00 0.00 C ATOM 977 OE1 GLN A 50 18.761 4.755 -5.125 1.00 0.00 O ATOM 978 NE2 GLN A 50 19.991 4.242 -6.859 1.00 0.00 N ATOM 0 H GLN A 50 15.118 1.598 -4.196 1.00 0.00 H new ATOM 0 HA GLN A 50 16.196 4.031 -5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.601 2.510 -4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 50 17.171 1.143 -5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.441 1.822 -5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.429 2.125 -6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.307 3.549 -7.538 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.347 5.197 -6.901 1.00 0.00 H new ATOM 987 N LYS A 51 15.039 1.660 -7.306 1.00 0.00 N ATOM 988 CA LYS A 51 14.830 1.148 -8.676 1.00 0.00 C ATOM 989 C LYS A 51 13.717 1.864 -9.458 1.00 0.00 C ATOM 990 O LYS A 51 12.934 2.639 -8.908 1.00 0.00 O ATOM 991 CB LYS A 51 14.544 -0.365 -8.609 1.00 0.00 C ATOM 992 CG LYS A 51 15.663 -1.176 -7.934 1.00 0.00 C ATOM 993 CD LYS A 51 15.419 -2.688 -8.044 1.00 0.00 C ATOM 994 CE LYS A 51 14.168 -3.130 -7.272 1.00 0.00 C ATOM 995 NZ LYS A 51 13.869 -4.561 -7.508 1.00 0.00 N ATOM 0 H LYS A 51 14.530 1.121 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 51 15.748 1.350 -9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.613 -0.526 -8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.393 -0.742 -9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.620 -0.928 -8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.732 -0.895 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.312 -2.962 -9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.288 -3.224 -7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.316 -2.958 -6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.316 -2.523 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.879 -4.755 -7.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.021 -4.786 -8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.497 -5.148 -6.923 1.00 0.00 H new ATOM 1009 N ASP A 52 13.620 1.546 -10.748 1.00 0.00 N ATOM 1010 CA ASP A 52 12.521 1.906 -11.658 1.00 0.00 C ATOM 1011 C ASP A 52 11.617 0.709 -12.053 1.00 0.00 C ATOM 1012 O ASP A 52 10.708 0.846 -12.877 1.00 0.00 O ATOM 1013 CB ASP A 52 13.059 2.645 -12.897 1.00 0.00 C ATOM 1014 CG ASP A 52 14.091 1.870 -13.742 1.00 0.00 C ATOM 1015 OD1 ASP A 52 14.951 1.141 -13.193 1.00 0.00 O ATOM 1016 OD2 ASP A 52 14.027 1.998 -14.989 1.00 0.00 O ATOM 0 H ASP A 52 14.343 1.000 -11.217 1.00 0.00 H new ATOM 0 HA ASP A 52 11.873 2.583 -11.101 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.216 2.906 -13.536 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.513 3.581 -12.571 1.00 0.00 H new ATOM 1021 N THR A 53 11.863 -0.465 -11.463 1.00 0.00 N ATOM 1022 CA THR A 53 11.144 -1.738 -11.678 1.00 0.00 C ATOM 1023 C THR A 53 11.139 -2.464 -10.330 1.00 0.00 C ATOM 1024 O THR A 53 12.130 -2.449 -9.594 1.00 0.00 O ATOM 1025 CB THR A 53 11.886 -2.676 -12.655 1.00 0.00 C ATOM 1026 OG1 THR A 53 13.293 -2.533 -12.587 1.00 0.00 O ATOM 1027 CG2 THR A 53 11.471 -2.433 -14.100 1.00 0.00 C ATOM 0 H THR A 53 12.614 -0.565 -10.780 1.00 0.00 H new ATOM 0 HA THR A 53 10.157 -1.512 -12.081 1.00 0.00 H new ATOM 0 HB THR A 53 11.607 -3.683 -12.344 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.715 -3.148 -13.222 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.016 -3.113 -14.754 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.400 -2.608 -14.205 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.699 -1.403 -14.376 1.00 0.00 H new ATOM 1035 N TYR A 54 10.031 -3.141 -10.012 1.00 0.00 N ATOM 1036 CA TYR A 54 9.803 -3.797 -8.714 1.00 0.00 C ATOM 1037 C TYR A 54 9.031 -5.114 -8.794 1.00 0.00 C ATOM 1038 O TYR A 54 8.235 -5.292 -9.711 1.00 0.00 O ATOM 1039 CB TYR A 54 9.079 -2.834 -7.759 1.00 0.00 C ATOM 1040 CG TYR A 54 9.891 -1.624 -7.355 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.776 -1.694 -6.261 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.782 -0.435 -8.103 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.553 -0.572 -5.916 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.565 0.682 -7.768 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.448 0.615 -6.673 1.00 0.00 C ATOM 1046 OH TYR A 54 12.226 1.683 -6.370 1.00 0.00 O ATOM 0 H TYR A 54 9.251 -3.252 -10.660 1.00 0.00 H new ATOM 0 HA TYR A 54 10.794 -4.051 -8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.158 -2.496 -8.234 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.793 -3.380 -6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.858 -2.606 -5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.095 -0.382 -8.935 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.228 -0.619 -5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.490 1.590 -8.349 1.00 0.00 H new ATOM 0 HH TYR A 54 12.513 2.124 -7.197 1.00 0.00 H new ATOM 1056 N THR A 55 9.230 -6.038 -7.854 1.00 0.00 N ATOM 1057 CA THR A 55 8.334 -7.203 -7.694 1.00 0.00 C ATOM 1058 C THR A 55 7.013 -6.865 -7.001 1.00 0.00 C ATOM 1059 O THR A 55 6.936 -5.879 -6.266 1.00 0.00 O ATOM 1060 CB THR A 55 8.997 -8.462 -7.107 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.864 -8.474 -5.701 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.475 -8.636 -7.447 1.00 0.00 C ATOM 0 H THR A 55 10.002 -6.010 -7.187 1.00 0.00 H new ATOM 0 HA THR A 55 8.089 -7.473 -8.721 1.00 0.00 H new ATOM 0 HB THR A 55 8.468 -9.292 -7.574 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.288 -9.280 -5.339 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.849 -9.551 -6.988 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.595 -8.698 -8.529 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.038 -7.783 -7.068 1.00 0.00 H new ATOM 1070 N MET A 56 5.965 -7.680 -7.169 1.00 0.00 N ATOM 1071 CA MET A 56 4.706 -7.482 -6.430 1.00 0.00 C ATOM 1072 C MET A 56 4.897 -7.577 -4.904 1.00 0.00 C ATOM 1073 O MET A 56 4.270 -6.822 -4.158 1.00 0.00 O ATOM 1074 CB MET A 56 3.642 -8.478 -6.913 1.00 0.00 C ATOM 1075 CG MET A 56 3.280 -8.296 -8.395 1.00 0.00 C ATOM 1076 SD MET A 56 2.771 -6.638 -8.907 1.00 0.00 S ATOM 1077 CE MET A 56 1.091 -6.788 -8.302 1.00 0.00 C ATOM 0 H MET A 56 5.960 -8.478 -7.804 1.00 0.00 H new ATOM 0 HA MET A 56 4.363 -6.469 -6.639 1.00 0.00 H new ATOM 0 HB2 MET A 56 4.004 -9.494 -6.755 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.743 -8.363 -6.308 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.142 -8.588 -8.995 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.474 -8.989 -8.636 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.543 -5.871 -8.519 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.601 -7.629 -8.793 1.00 0.00 H new ATOM 0 HE3 MET A 56 1.106 -6.955 -7.225 1.00 0.00 H new ATOM 1087 N LYS A 57 5.816 -8.438 -4.434 1.00 0.00 N ATOM 1088 CA LYS A 57 6.215 -8.519 -3.023 1.00 0.00 C ATOM 1089 C LYS A 57 6.973 -7.271 -2.572 1.00 0.00 C ATOM 1090 O LYS A 57 6.695 -6.767 -1.490 1.00 0.00 O ATOM 1091 CB LYS A 57 7.015 -9.816 -2.790 1.00 0.00 C ATOM 1092 CG LYS A 57 7.375 -10.065 -1.313 1.00 0.00 C ATOM 1093 CD LYS A 57 8.752 -9.517 -0.891 1.00 0.00 C ATOM 1094 CE LYS A 57 9.038 -9.704 0.607 1.00 0.00 C ATOM 1095 NZ LYS A 57 9.105 -11.134 1.014 1.00 0.00 N ATOM 0 H LYS A 57 6.306 -9.103 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 57 5.319 -8.556 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.435 -10.661 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.933 -9.777 -3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.609 -9.612 -0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.351 -11.138 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.529 -10.017 -1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.806 -8.456 -1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.981 -9.217 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.260 -9.204 1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.317 -11.196 2.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.192 -11.593 0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.853 -11.614 0.474 1.00 0.00 H new ATOM 1109 N GLU A 58 7.885 -6.742 -3.388 1.00 0.00 N ATOM 1110 CA GLU A 58 8.593 -5.484 -3.100 1.00 0.00 C ATOM 1111 C GLU A 58 7.650 -4.276 -3.022 1.00 0.00 C ATOM 1112 O GLU A 58 7.776 -3.459 -2.108 1.00 0.00 O ATOM 1113 CB GLU A 58 9.667 -5.213 -4.159 1.00 0.00 C ATOM 1114 CG GLU A 58 10.890 -6.130 -4.031 1.00 0.00 C ATOM 1115 CD GLU A 58 11.901 -5.910 -5.170 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.547 -5.313 -6.217 1.00 0.00 O ATOM 1117 OE2 GLU A 58 13.075 -6.325 -5.034 1.00 0.00 O ATOM 0 H GLU A 58 8.158 -7.172 -4.272 1.00 0.00 H new ATOM 0 HA GLU A 58 9.055 -5.612 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.230 -5.338 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.990 -4.175 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.379 -5.950 -3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.564 -7.170 -4.032 1.00 0.00 H new ATOM 1124 N VAL A 59 6.674 -4.184 -3.935 1.00 0.00 N ATOM 1125 CA VAL A 59 5.643 -3.135 -3.920 1.00 0.00 C ATOM 1126 C VAL A 59 4.822 -3.251 -2.633 1.00 0.00 C ATOM 1127 O VAL A 59 4.700 -2.255 -1.922 1.00 0.00 O ATOM 1128 CB VAL A 59 4.736 -3.220 -5.167 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.505 -2.314 -5.047 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.503 -2.787 -6.425 1.00 0.00 C ATOM 0 H VAL A 59 6.576 -4.839 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 59 6.131 -2.161 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 59 4.418 -4.260 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.896 -2.406 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.917 -2.612 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.825 -1.279 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.846 -2.854 -7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.845 -1.759 -6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.363 -3.441 -6.570 1.00 0.00 H new ATOM 1140 N LEU A 60 4.316 -4.444 -2.279 1.00 0.00 N ATOM 1141 CA LEU A 60 3.595 -4.655 -1.014 1.00 0.00 C ATOM 1142 C LEU A 60 4.471 -4.292 0.197 1.00 0.00 C ATOM 1143 O LEU A 60 4.011 -3.590 1.095 1.00 0.00 O ATOM 1144 CB LEU A 60 3.121 -6.119 -0.902 1.00 0.00 C ATOM 1145 CG LEU A 60 1.853 -6.447 -1.713 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.640 -7.960 -1.746 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.597 -5.824 -1.094 1.00 0.00 C ATOM 0 H LEU A 60 4.394 -5.282 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 60 2.726 -3.997 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.927 -6.774 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.934 -6.347 0.147 1.00 0.00 H new ATOM 0 HG LEU A 60 2.002 -6.039 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.742 -8.189 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.501 -8.439 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.525 -8.333 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.273 -6.081 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.462 -6.207 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.707 -4.740 -1.060 1.00 0.00 H new ATOM 1159 N PHE A 61 5.733 -4.722 0.217 1.00 0.00 N ATOM 1160 CA PHE A 61 6.711 -4.396 1.255 1.00 0.00 C ATOM 1161 C PHE A 61 6.922 -2.901 1.528 1.00 0.00 C ATOM 1162 O PHE A 61 6.680 -2.422 2.637 1.00 0.00 O ATOM 1163 CB PHE A 61 8.002 -5.207 1.040 1.00 0.00 C ATOM 1164 CG PHE A 61 9.233 -4.745 1.797 1.00 0.00 C ATOM 1165 CD1 PHE A 61 10.091 -3.777 1.237 1.00 0.00 C ATOM 1166 CD2 PHE A 61 9.555 -5.327 3.039 1.00 0.00 C ATOM 1167 CE1 PHE A 61 11.256 -3.386 1.921 1.00 0.00 C ATOM 1168 CE2 PHE A 61 10.721 -4.935 3.722 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.572 -3.967 3.161 1.00 0.00 C ATOM 0 H PHE A 61 6.114 -5.326 -0.511 1.00 0.00 H new ATOM 0 HA PHE A 61 6.277 -4.714 2.203 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.803 -6.243 1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.235 -5.199 -0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.853 -3.335 0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.905 -6.076 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.908 -2.639 1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.962 -5.378 4.677 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.469 -3.670 3.683 1.00 0.00 H new ATOM 1179 N TYR A 62 7.287 -2.145 0.491 1.00 0.00 N ATOM 1180 CA TYR A 62 7.429 -0.692 0.569 1.00 0.00 C ATOM 1181 C TYR A 62 6.139 0.095 0.849 1.00 0.00 C ATOM 1182 O TYR A 62 6.151 1.067 1.606 1.00 0.00 O ATOM 1183 CB TYR A 62 8.152 -0.161 -0.672 1.00 0.00 C ATOM 1184 CG TYR A 62 9.646 -0.433 -0.764 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.526 0.055 0.223 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.165 -1.129 -1.876 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.914 -0.136 0.092 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.551 -1.334 -2.005 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.432 -0.830 -1.022 1.00 0.00 C ATOM 1190 OH TYR A 62 13.776 -1.009 -1.141 1.00 0.00 O ATOM 0 H TYR A 62 7.493 -2.527 -0.432 1.00 0.00 H new ATOM 0 HA TYR A 62 8.035 -0.516 1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.674 -0.589 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.999 0.917 -0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.134 0.577 1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.494 -1.507 -2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.584 0.250 0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.941 -1.876 -2.854 1.00 0.00 H new ATOM 0 HH TYR A 62 13.968 -1.507 -1.963 1.00 0.00 H new ATOM 1200 N LEU A 63 5.009 -0.353 0.289 1.00 0.00 N ATOM 1201 CA LEU A 63 3.683 0.217 0.539 1.00 0.00 C ATOM 1202 C LEU A 63 3.268 0.046 2.009 1.00 0.00 C ATOM 1203 O LEU A 63 2.827 1.005 2.643 1.00 0.00 O ATOM 1204 CB LEU A 63 2.699 -0.425 -0.458 1.00 0.00 C ATOM 1205 CG LEU A 63 1.239 0.055 -0.399 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.121 1.557 -0.642 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.444 -0.652 -1.499 1.00 0.00 C ATOM 0 H LEU A 63 4.992 -1.137 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 63 3.687 1.295 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.074 -0.249 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.709 -1.503 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 63 0.856 -0.173 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.073 1.853 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.687 2.094 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.519 1.798 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.594 -0.320 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.874 -0.410 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.485 -1.730 -1.342 1.00 0.00 H new ATOM 1219 N GLY A 64 3.514 -1.133 2.588 1.00 0.00 N ATOM 1220 CA GLY A 64 3.338 -1.389 4.018 1.00 0.00 C ATOM 1221 C GLY A 64 4.262 -0.540 4.893 1.00 0.00 C ATOM 1222 O GLY A 64 3.799 0.058 5.863 1.00 0.00 O ATOM 0 H GLY A 64 3.845 -1.946 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.302 -1.190 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.524 -2.444 4.219 1.00 0.00 H new ATOM 1226 N GLN A 65 5.541 -0.397 4.527 1.00 0.00 N ATOM 1227 CA GLN A 65 6.464 0.514 5.220 1.00 0.00 C ATOM 1228 C GLN A 65 6.010 1.985 5.177 1.00 0.00 C ATOM 1229 O GLN A 65 6.198 2.706 6.158 1.00 0.00 O ATOM 1230 CB GLN A 65 7.889 0.379 4.661 1.00 0.00 C ATOM 1231 CG GLN A 65 8.580 -0.917 5.114 1.00 0.00 C ATOM 1232 CD GLN A 65 10.072 -0.939 4.784 1.00 0.00 C ATOM 1233 OE1 GLN A 65 10.566 -0.272 3.882 1.00 0.00 O ATOM 1234 NE2 GLN A 65 10.861 -1.694 5.520 1.00 0.00 N ATOM 0 H GLN A 65 5.964 -0.904 3.749 1.00 0.00 H new ATOM 0 HA GLN A 65 6.458 0.213 6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.852 0.406 3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.484 1.235 4.981 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.449 -1.037 6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.094 -1.768 4.637 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.469 -2.256 6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.864 -1.716 5.335 1.00 0.00 H new ATOM 1243 N TYR A 66 5.365 2.428 4.093 1.00 0.00 N ATOM 1244 CA TYR A 66 4.777 3.767 4.014 1.00 0.00 C ATOM 1245 C TYR A 66 3.579 3.956 4.954 1.00 0.00 C ATOM 1246 O TYR A 66 3.556 4.888 5.757 1.00 0.00 O ATOM 1247 CB TYR A 66 4.462 4.134 2.562 1.00 0.00 C ATOM 1248 CG TYR A 66 3.768 5.472 2.385 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.362 5.559 2.393 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.542 6.632 2.190 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.730 6.800 2.181 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.915 7.874 1.979 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.507 7.960 1.966 1.00 0.00 C ATOM 1254 OH TYR A 66 1.907 9.164 1.766 1.00 0.00 O ATOM 0 H TYR A 66 5.237 1.870 3.249 1.00 0.00 H new ATOM 0 HA TYR A 66 5.526 4.472 4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.392 4.144 1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.834 3.354 2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.768 4.673 2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.620 6.568 2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.652 6.865 2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.512 8.761 1.827 1.00 0.00 H new ATOM 0 HH TYR A 66 2.592 9.853 1.636 1.00 0.00 H new ATOM 1264 N ILE A 67 2.623 3.020 4.923 1.00 0.00 N ATOM 1265 CA ILE A 67 1.444 3.009 5.810 1.00 0.00 C ATOM 1266 C ILE A 67 1.865 2.971 7.290 1.00 0.00 C ATOM 1267 O ILE A 67 1.305 3.697 8.116 1.00 0.00 O ATOM 1268 CB ILE A 67 0.527 1.815 5.452 1.00 0.00 C ATOM 1269 CG1 ILE A 67 -0.014 1.899 4.007 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.660 1.722 6.427 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.440 0.538 3.432 1.00 0.00 C ATOM 0 H ILE A 67 2.643 2.235 4.272 1.00 0.00 H new ATOM 0 HA ILE A 67 0.883 3.931 5.659 1.00 0.00 H new ATOM 0 HB ILE A 67 1.145 0.921 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.867 2.577 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.753 2.332 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.289 0.875 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.287 1.585 7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.245 2.640 6.376 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.809 0.672 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.416 -0.136 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.229 0.112 4.052 1.00 0.00 H new ATOM 1283 N MET A 68 2.896 2.179 7.606 1.00 0.00 N ATOM 1284 CA MET A 68 3.537 2.086 8.919 1.00 0.00 C ATOM 1285 C MET A 68 4.162 3.422 9.350 1.00 0.00 C ATOM 1286 O MET A 68 3.783 3.969 10.386 1.00 0.00 O ATOM 1287 CB MET A 68 4.589 0.963 8.870 1.00 0.00 C ATOM 1288 CG MET A 68 5.356 0.742 10.182 1.00 0.00 C ATOM 1289 SD MET A 68 6.962 -0.086 9.976 1.00 0.00 S ATOM 1290 CE MET A 68 6.447 -1.699 9.323 1.00 0.00 C ATOM 0 H MET A 68 3.325 1.557 6.920 1.00 0.00 H new ATOM 0 HA MET A 68 2.782 1.850 9.669 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.094 0.032 8.594 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.305 1.190 8.080 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.516 1.707 10.663 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.738 0.149 10.856 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.329 -2.298 9.097 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.838 -2.215 10.066 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.864 -1.554 8.414 1.00 0.00 H new ATOM 1300 N THR A 69 5.087 3.982 8.560 1.00 0.00 N ATOM 1301 CA THR A 69 5.786 5.238 8.898 1.00 0.00 C ATOM 1302 C THR A 69 4.896 6.479 9.002 1.00 0.00 C ATOM 1303 O THR A 69 5.122 7.354 9.842 1.00 0.00 O ATOM 1304 CB THR A 69 7.037 5.450 8.025 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.972 6.245 8.720 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.750 6.147 6.694 1.00 0.00 C ATOM 0 H THR A 69 5.375 3.581 7.668 1.00 0.00 H new ATOM 0 HA THR A 69 6.128 5.100 9.924 1.00 0.00 H new ATOM 0 HB THR A 69 7.419 4.452 7.811 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.767 6.377 8.163 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.679 6.261 6.135 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.048 5.548 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.318 7.130 6.884 1.00 0.00 H new ATOM 1314 N LYS A 70 3.822 6.525 8.205 1.00 0.00 N ATOM 1315 CA LYS A 70 2.764 7.549 8.242 1.00 0.00 C ATOM 1316 C LYS A 70 1.712 7.336 9.349 1.00 0.00 C ATOM 1317 O LYS A 70 0.956 8.262 9.644 1.00 0.00 O ATOM 1318 CB LYS A 70 2.087 7.575 6.862 1.00 0.00 C ATOM 1319 CG LYS A 70 2.987 8.070 5.713 1.00 0.00 C ATOM 1320 CD LYS A 70 2.826 9.557 5.365 1.00 0.00 C ATOM 1321 CE LYS A 70 1.402 9.842 4.865 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.300 11.125 4.127 1.00 0.00 N ATOM 0 H LYS A 70 3.657 5.821 7.485 1.00 0.00 H new ATOM 0 HA LYS A 70 3.236 8.502 8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.738 6.570 6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.206 8.214 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.028 7.884 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.775 7.478 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.038 10.167 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.549 9.838 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.079 9.028 4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.720 9.861 5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.298 11.368 3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.767 11.877 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.763 11.030 3.201 1.00 0.00 H new ATOM 1336 N ARG A 71 1.647 6.134 9.943 1.00 0.00 N ATOM 1337 CA ARG A 71 0.644 5.687 10.938 1.00 0.00 C ATOM 1338 C ARG A 71 -0.810 5.917 10.489 1.00 0.00 C ATOM 1339 O ARG A 71 -1.625 6.479 11.222 1.00 0.00 O ATOM 1340 CB ARG A 71 0.944 6.217 12.359 1.00 0.00 C ATOM 1341 CG ARG A 71 2.269 5.723 12.971 1.00 0.00 C ATOM 1342 CD ARG A 71 3.475 6.622 12.671 1.00 0.00 C ATOM 1343 NE ARG A 71 3.368 7.926 13.360 1.00 0.00 N ATOM 1344 CZ ARG A 71 3.801 9.102 12.938 1.00 0.00 C ATOM 1345 NH1 ARG A 71 4.444 9.261 11.816 1.00 0.00 N ATOM 1346 NH2 ARG A 71 3.593 10.168 13.657 1.00 0.00 N ATOM 0 H ARG A 71 2.328 5.404 9.734 1.00 0.00 H new ATOM 0 HA ARG A 71 0.745 4.603 10.998 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.959 7.306 12.329 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.126 5.928 13.019 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.150 5.643 14.052 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.476 4.720 12.598 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.390 6.119 12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.550 6.783 11.596 1.00 0.00 H new ATOM 0 HE ARG A 71 2.905 7.917 14.269 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.634 8.456 11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.757 10.190 11.535 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.096 10.095 14.545 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.927 11.075 13.332 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.133 5.500 9.260 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.466 5.682 8.647 1.00 0.00 C ATOM 1362 C LEU A 72 -3.540 4.721 9.195 1.00 0.00 C ATOM 1363 O LEU A 72 -4.719 4.855 8.869 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.362 5.573 7.112 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.372 6.555 6.467 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.214 6.277 4.975 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.812 8.004 6.655 1.00 0.00 C ATOM 0 H LEU A 72 -0.472 5.020 8.650 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.800 6.682 8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.067 4.556 6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.350 5.738 6.681 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.416 6.407 6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.508 6.987 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.841 5.263 4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.180 6.382 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.087 8.668 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.789 8.150 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.875 8.230 7.719 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.152 3.746 10.018 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.078 2.846 10.708 1.00 0.00 C ATOM 1381 C TYR A 73 -5.001 3.487 11.762 1.00 0.00 C ATOM 1382 O TYR A 73 -4.624 4.466 12.412 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.378 1.579 11.214 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.066 1.831 11.934 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -2.080 2.086 13.319 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -0.842 1.817 11.233 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -0.875 2.306 14.012 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.366 2.038 11.925 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.353 2.276 13.316 1.00 0.00 C ATOM 1390 OH TYR A 73 1.526 2.472 13.979 1.00 0.00 O ATOM 0 H TYR A 73 -2.172 3.556 10.227 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.781 2.552 9.929 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.052 1.051 11.888 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.192 0.919 10.367 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.019 2.113 13.851 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.830 1.637 10.168 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.890 2.498 15.075 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.304 2.025 11.389 1.00 0.00 H new ATOM 0 HH TYR A 73 2.272 2.417 13.346 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.198 2.931 11.966 1.00 0.00 N ATOM 1401 CA ASP A 74 -7.102 3.329 13.057 1.00 0.00 C ATOM 1402 C ASP A 74 -6.475 2.905 14.404 1.00 0.00 C ATOM 1403 O ASP A 74 -5.781 1.891 14.494 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.450 2.613 12.882 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.597 3.229 13.691 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.402 4.236 14.408 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.721 2.685 13.629 1.00 0.00 O ATOM 0 H ASP A 74 -6.573 2.187 11.377 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.254 4.408 13.039 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.719 2.622 11.826 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.335 1.569 13.173 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.743 3.648 15.479 1.00 0.00 N ATOM 1413 CA GLU A 75 -6.221 3.337 16.820 1.00 0.00 C ATOM 1414 C GLU A 75 -6.901 2.105 17.450 1.00 0.00 C ATOM 1415 O GLU A 75 -6.236 1.290 18.099 1.00 0.00 O ATOM 1416 CB GLU A 75 -6.336 4.578 17.727 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.775 5.055 18.011 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.849 6.389 18.788 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.812 6.913 19.263 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.973 6.926 18.942 1.00 0.00 O ATOM 0 H GLU A 75 -7.328 4.483 15.449 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.168 3.074 16.716 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.849 4.360 18.677 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.783 5.397 17.266 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.304 5.167 17.065 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.297 4.285 18.579 1.00 0.00 H new ATOM 1427 N LYS A 76 -8.220 1.964 17.243 1.00 0.00 N ATOM 1428 CA LYS A 76 -9.082 0.951 17.882 1.00 0.00 C ATOM 1429 C LYS A 76 -9.147 -0.386 17.139 1.00 0.00 C ATOM 1430 O LYS A 76 -9.281 -1.428 17.778 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.487 1.536 18.115 1.00 0.00 C ATOM 1432 CG LYS A 76 -11.191 2.068 16.857 1.00 0.00 C ATOM 1433 CD LYS A 76 -12.571 2.654 17.192 1.00 0.00 C ATOM 1434 CE LYS A 76 -13.388 3.026 15.945 1.00 0.00 C ATOM 1435 NZ LYS A 76 -12.691 4.004 15.069 1.00 0.00 N ATOM 0 H LYS A 76 -8.735 2.571 16.605 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.619 0.710 18.839 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.114 0.766 18.564 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.410 2.347 18.839 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.573 2.834 16.389 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.303 1.262 16.132 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.132 1.931 17.784 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.441 3.541 17.812 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.602 2.123 15.374 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.347 3.442 16.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.379 4.447 14.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.242 4.737 15.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.963 3.513 14.511 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.031 -0.363 15.811 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.915 -1.549 14.952 1.00 0.00 C ATOM 1451 C GLN A 77 -7.730 -1.357 13.998 1.00 0.00 C ATOM 1452 O GLN A 77 -7.879 -0.830 12.897 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.231 -1.794 14.189 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.465 -2.080 15.060 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.380 -3.347 15.917 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -10.527 -4.211 15.760 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -12.287 -3.521 16.856 1.00 0.00 N ATOM 0 H GLN A 77 -9.014 0.509 15.283 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.732 -2.434 15.561 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.440 -0.920 13.572 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.085 -2.635 13.511 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.631 -1.227 15.717 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.338 -2.157 14.411 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.008 -2.815 17.006 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.269 -4.362 17.433 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.533 -1.776 14.414 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.273 -1.447 13.723 1.00 0.00 C ATOM 1468 C GLN A 78 -5.091 -2.150 12.365 1.00 0.00 C ATOM 1469 O GLN A 78 -4.153 -1.855 11.626 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.092 -1.638 14.693 1.00 0.00 C ATOM 1471 CG GLN A 78 -4.119 -0.541 15.776 1.00 0.00 C ATOM 1472 CD GLN A 78 -3.264 -0.832 17.005 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -2.226 -1.481 16.957 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -3.660 -0.329 18.157 1.00 0.00 N ATOM 0 H GLN A 78 -6.404 -2.356 15.243 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.313 -0.395 13.439 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.148 -2.622 15.158 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.150 -1.597 14.146 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.784 0.396 15.332 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.150 -0.392 16.096 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.523 0.213 18.207 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.104 -0.481 18.998 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.018 -3.042 12.009 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.144 -3.629 10.676 1.00 0.00 C ATOM 1485 C HIS A 79 -6.949 -2.745 9.696 1.00 0.00 C ATOM 1486 O HIS A 79 -7.003 -3.065 8.514 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.757 -5.027 10.829 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.197 -5.048 11.276 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -9.295 -4.705 10.519 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -8.665 -5.502 12.480 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.396 -4.905 11.261 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.064 -5.422 12.457 1.00 0.00 N ATOM 0 H HIS A 79 -6.723 -3.385 12.662 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.153 -3.703 10.228 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.682 -5.546 9.874 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.162 -5.591 11.547 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -9.275 -4.359 9.560 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.062 -5.859 13.302 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.404 -4.683 10.943 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.590 -1.657 10.143 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.287 -0.677 9.286 1.00 0.00 C ATOM 1502 C ILE A 80 -7.362 0.515 9.003 1.00 0.00 C ATOM 1503 O ILE A 80 -6.666 0.984 9.904 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.643 -0.233 9.895 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.470 -1.447 10.383 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.440 0.583 8.857 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.862 -1.112 10.933 1.00 0.00 C ATOM 0 H ILE A 80 -7.642 -1.424 11.135 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.528 -1.157 8.338 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.438 0.393 10.763 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.583 -2.146 9.554 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.905 -1.963 11.159 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.391 0.892 9.290 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.868 1.465 8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.625 -0.031 7.976 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.359 -2.029 11.248 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.764 -0.441 11.786 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.453 -0.627 10.156 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.359 1.015 7.764 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.502 2.106 7.266 1.00 0.00 C ATOM 1521 C VAL A 81 -7.314 3.284 6.717 1.00 0.00 C ATOM 1522 O VAL A 81 -8.255 3.080 5.949 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.466 1.602 6.235 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.361 2.635 5.987 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.786 0.289 6.656 1.00 0.00 C ATOM 0 H VAL A 81 -7.983 0.655 7.042 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.949 2.479 8.128 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.042 1.432 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.653 2.243 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.803 3.556 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.840 2.842 6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.070 -0.012 5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.265 0.436 7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.540 -0.490 6.774 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.939 4.510 7.093 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.588 5.778 6.735 1.00 0.00 C ATOM 1537 C TYR A 82 -6.648 6.810 6.090 1.00 0.00 C ATOM 1538 O TYR A 82 -5.632 7.168 6.688 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.303 6.375 7.959 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.553 5.643 8.411 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.456 4.594 9.347 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.816 6.039 7.929 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.619 3.935 9.791 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.980 5.374 8.362 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.884 4.316 9.294 1.00 0.00 C ATOM 1546 OH TYR A 82 -13.002 3.670 9.725 1.00 0.00 O ATOM 0 H TYR A 82 -6.126 4.654 7.691 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.319 5.534 5.964 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.599 6.402 8.791 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.570 7.407 7.733 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.489 4.295 9.724 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.892 6.855 7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.543 3.136 10.514 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.946 5.673 7.982 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.791 4.054 9.287 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.969 7.307 4.889 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.109 8.244 4.152 1.00 0.00 C ATOM 1558 C CYS A 83 -6.913 9.086 3.133 1.00 0.00 C ATOM 1559 O CYS A 83 -6.550 9.202 1.959 1.00 0.00 O ATOM 1560 CB CYS A 83 -4.969 7.445 3.501 1.00 0.00 C ATOM 1561 SG CYS A 83 -3.682 8.588 2.918 1.00 0.00 S ATOM 0 H CYS A 83 -7.832 7.071 4.400 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.679 8.971 4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.547 6.742 4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.353 6.857 2.667 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.517 9.537 3.791 1.00 0.00 H new ATOM 1567 N SER A 84 -8.031 9.674 3.568 1.00 0.00 N ATOM 1568 CA SER A 84 -8.830 10.587 2.737 1.00 0.00 C ATOM 1569 C SER A 84 -8.025 11.817 2.279 1.00 0.00 C ATOM 1570 O SER A 84 -7.280 12.425 3.056 1.00 0.00 O ATOM 1571 CB SER A 84 -10.122 10.995 3.461 1.00 0.00 C ATOM 1572 OG SER A 84 -9.857 11.582 4.726 1.00 0.00 O ATOM 0 H SER A 84 -8.410 9.533 4.505 1.00 0.00 H new ATOM 0 HA SER A 84 -9.105 10.044 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.677 11.700 2.843 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.756 10.119 3.593 1.00 0.00 H new ATOM 0 HG SER A 84 -10.702 11.830 5.155 1.00 0.00 H new ATOM 1578 N ASN A 85 -8.173 12.178 0.998 1.00 0.00 N ATOM 1579 CA ASN A 85 -7.514 13.315 0.332 1.00 0.00 C ATOM 1580 C ASN A 85 -5.961 13.324 0.386 1.00 0.00 C ATOM 1581 O ASN A 85 -5.345 14.381 0.227 1.00 0.00 O ATOM 1582 CB ASN A 85 -8.167 14.640 0.789 1.00 0.00 C ATOM 1583 CG ASN A 85 -9.661 14.720 0.514 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -10.182 14.190 -0.459 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -10.402 15.425 1.340 1.00 0.00 N ATOM 0 H ASN A 85 -8.784 11.662 0.365 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.691 13.191 -0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.997 14.767 1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.670 15.470 0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.402 15.527 1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.977 15.870 2.153 1.00 0.00 H new ATOM 1592 N ASP A 86 -5.316 12.171 0.602 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.851 12.008 0.594 1.00 0.00 C ATOM 1594 C ASP A 86 -3.404 10.779 -0.244 1.00 0.00 C ATOM 1595 O ASP A 86 -4.229 9.951 -0.640 1.00 0.00 O ATOM 1596 CB ASP A 86 -3.323 12.104 2.045 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.797 11.992 2.222 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -1.041 12.417 1.317 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.335 11.541 3.296 1.00 0.00 O ATOM 0 H ASP A 86 -5.810 11.299 0.793 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.368 12.826 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.648 13.056 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.795 11.318 2.634 1.00 0.00 H new ATOM 1604 N LEU A 87 -2.107 10.661 -0.542 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.502 9.750 -1.525 1.00 0.00 C ATOM 1606 C LEU A 87 -1.955 8.276 -1.480 1.00 0.00 C ATOM 1607 O LEU A 87 -2.180 7.689 -2.540 1.00 0.00 O ATOM 1608 CB LEU A 87 0.028 9.893 -1.398 1.00 0.00 C ATOM 1609 CG LEU A 87 0.867 9.092 -2.411 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.545 9.469 -3.857 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.351 9.377 -2.172 1.00 0.00 C ATOM 0 H LEU A 87 -1.405 11.235 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.863 10.056 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.284 10.948 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.319 9.588 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 87 0.630 8.038 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.162 8.877 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.508 9.271 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.751 10.528 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.950 8.812 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.542 10.442 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.620 9.080 -1.158 1.00 0.00 H new ATOM 1623 N LEU A 88 -2.128 7.669 -0.300 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.585 6.273 -0.206 1.00 0.00 C ATOM 1625 C LEU A 88 -4.040 6.101 -0.682 1.00 0.00 C ATOM 1626 O LEU A 88 -4.354 5.148 -1.396 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.423 5.760 1.236 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.469 4.227 1.321 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.076 3.649 1.114 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -3.025 3.763 2.665 1.00 0.00 C ATOM 0 H LEU A 88 -1.960 8.118 0.600 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.960 5.678 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.475 6.115 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.213 6.180 1.859 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.132 3.868 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.120 2.562 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.703 3.941 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.406 4.030 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.045 2.674 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.391 4.136 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.037 4.148 2.793 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.922 7.040 -0.328 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.308 7.064 -0.802 1.00 0.00 C ATOM 1644 C GLY A 89 -6.412 7.431 -2.285 1.00 0.00 C ATOM 1645 O GLY A 89 -7.240 6.871 -3.003 1.00 0.00 O ATOM 0 H GLY A 89 -4.692 7.810 0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.761 6.086 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.878 7.782 -0.212 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.520 8.297 -2.773 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.379 8.601 -4.203 1.00 0.00 C ATOM 1651 C ASP A 90 -4.929 7.408 -5.065 1.00 0.00 C ATOM 1652 O ASP A 90 -5.387 7.248 -6.199 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.476 9.827 -4.417 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.100 11.179 -4.016 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.337 11.280 -3.825 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.340 12.174 -3.937 1.00 0.00 O ATOM 0 H ASP A 90 -4.868 8.813 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.383 8.838 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.557 9.686 -3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.195 9.872 -5.469 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.081 6.537 -4.505 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.697 5.252 -5.092 1.00 0.00 C ATOM 1663 C LEU A 91 -4.852 4.236 -5.070 1.00 0.00 C ATOM 1664 O LEU A 91 -5.240 3.730 -6.124 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.478 4.693 -4.334 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.123 5.243 -4.799 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.058 4.820 -3.805 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.742 4.710 -6.181 1.00 0.00 C ATOM 0 H LEU A 91 -3.632 6.713 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.441 5.420 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.597 4.910 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.469 3.608 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.198 6.329 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.911 5.205 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.301 5.219 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.018 3.732 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.223 5.122 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.678 3.622 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.500 5.006 -6.907 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.406 3.928 -3.889 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.488 2.945 -3.740 1.00 0.00 C ATOM 1682 C PHE A 92 -7.866 3.297 -4.327 1.00 0.00 C ATOM 1683 O PHE A 92 -8.686 2.409 -4.570 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.557 2.383 -2.309 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.502 1.339 -1.984 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.588 0.052 -2.547 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.445 1.639 -1.108 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.614 -0.920 -2.256 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.472 0.667 -0.805 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.557 -0.612 -1.384 1.00 0.00 C ATOM 0 H PHE A 92 -5.116 4.354 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.181 2.144 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.460 3.209 -1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.543 1.944 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.408 -0.191 -3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.378 2.621 -0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.679 -1.901 -2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.663 0.903 -0.130 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.809 -1.358 -1.158 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.128 4.585 -4.571 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.410 5.089 -5.079 1.00 0.00 C ATOM 1702 C GLY A 93 -10.530 5.138 -4.028 1.00 0.00 C ATOM 1703 O GLY A 93 -11.705 5.229 -4.391 1.00 0.00 O ATOM 0 H GLY A 93 -7.441 5.323 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.260 6.091 -5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.732 4.459 -5.908 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.183 5.068 -2.737 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.111 5.060 -1.589 1.00 0.00 C ATOM 1709 C VAL A 94 -10.489 5.847 -0.420 1.00 0.00 C ATOM 1710 O VAL A 94 -9.263 5.871 -0.278 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.419 3.627 -1.094 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.421 2.923 -2.010 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.188 2.725 -0.933 1.00 0.00 C ATOM 0 H VAL A 94 -9.207 5.013 -2.447 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.041 5.518 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.841 3.776 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.615 1.919 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.353 3.488 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.010 2.860 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.501 1.741 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.683 2.624 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.505 3.168 -0.208 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.309 6.462 0.455 1.00 0.00 N ATOM 1724 CA PRO A 95 -10.832 7.166 1.652 1.00 0.00 C ATOM 1725 C PRO A 95 -10.300 6.217 2.742 1.00 0.00 C ATOM 1726 O PRO A 95 -9.477 6.622 3.566 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.051 7.951 2.148 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.238 7.101 1.694 1.00 0.00 C ATOM 1729 CD PRO A 95 -12.763 6.538 0.361 1.00 0.00 C ATOM 0 HA PRO A 95 -9.982 7.806 1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.036 8.072 3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.086 8.951 1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.465 6.310 2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.143 7.698 1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.195 5.554 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.068 7.180 -0.465 1.00 0.00 H new ATOM 1737 N SER A 96 -10.764 4.962 2.760 1.00 0.00 N ATOM 1738 CA SER A 96 -10.389 3.934 3.741 1.00 0.00 C ATOM 1739 C SER A 96 -10.636 2.509 3.226 1.00 0.00 C ATOM 1740 O SER A 96 -11.422 2.296 2.297 1.00 0.00 O ATOM 1741 CB SER A 96 -11.151 4.154 5.057 1.00 0.00 C ATOM 1742 OG SER A 96 -12.556 4.029 4.885 1.00 0.00 O ATOM 0 H SER A 96 -11.433 4.622 2.070 1.00 0.00 H new ATOM 0 HA SER A 96 -9.317 4.035 3.913 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.811 3.431 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.920 5.145 5.448 1.00 0.00 H new ATOM 0 HG SER A 96 -13.005 4.174 5.744 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.967 1.527 3.834 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.147 0.090 3.573 1.00 0.00 C ATOM 1750 C PHE A 97 -9.643 -0.681 4.814 1.00 0.00 C ATOM 1751 O PHE A 97 -9.026 -0.104 5.714 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.334 -0.298 2.318 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.827 -0.342 2.503 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.213 -1.538 2.913 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.037 0.802 2.279 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.831 -1.583 3.150 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.646 0.750 2.486 1.00 0.00 C ATOM 1758 CZ PHE A 97 -5.044 -0.442 2.935 1.00 0.00 C ATOM 0 H PHE A 97 -9.261 1.712 4.546 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.194 -0.153 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.670 -1.278 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.564 0.412 1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.809 -2.429 3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.499 1.720 1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.373 -2.497 3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.040 1.624 2.301 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.979 -0.477 3.113 1.00 0.00 H new ATOM 1768 N SER A 98 -9.880 -1.996 4.865 1.00 0.00 N ATOM 1769 CA SER A 98 -9.351 -2.880 5.915 1.00 0.00 C ATOM 1770 C SER A 98 -8.425 -3.958 5.352 1.00 0.00 C ATOM 1771 O SER A 98 -8.776 -4.658 4.404 1.00 0.00 O ATOM 1772 CB SER A 98 -10.505 -3.490 6.712 1.00 0.00 C ATOM 1773 OG SER A 98 -10.031 -4.414 7.678 1.00 0.00 O ATOM 0 H SER A 98 -10.449 -2.483 4.173 1.00 0.00 H new ATOM 0 HA SER A 98 -8.741 -2.277 6.588 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.066 -2.698 7.208 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.194 -3.992 6.033 1.00 0.00 H new ATOM 0 HG SER A 98 -10.790 -4.787 8.174 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.253 -4.141 5.965 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.283 -5.209 5.659 1.00 0.00 C ATOM 1781 C VAL A 99 -6.867 -6.621 5.805 1.00 0.00 C ATOM 1782 O VAL A 99 -6.429 -7.553 5.131 1.00 0.00 O ATOM 1783 CB VAL A 99 -4.960 -5.023 6.431 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.826 -5.869 5.846 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.438 -3.577 6.416 1.00 0.00 C ATOM 0 H VAL A 99 -6.937 -3.529 6.717 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.045 -5.110 4.600 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.214 -5.327 7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.915 -5.705 6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.099 -6.923 5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.656 -5.582 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.506 -3.521 6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.261 -3.265 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.177 -2.919 6.873 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.943 -6.764 6.594 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.748 -7.993 6.721 1.00 0.00 C ATOM 1797 C LYS A 100 -9.396 -8.430 5.391 1.00 0.00 C ATOM 1798 O LYS A 100 -9.725 -9.602 5.224 1.00 0.00 O ATOM 1799 CB LYS A 100 -9.835 -7.727 7.785 1.00 0.00 C ATOM 1800 CG LYS A 100 -10.375 -8.988 8.485 1.00 0.00 C ATOM 1801 CD LYS A 100 -9.436 -9.559 9.566 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.189 -8.615 10.757 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.428 -8.326 11.529 1.00 0.00 N ATOM 0 H LYS A 100 -8.289 -6.005 7.180 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.092 -8.812 7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.427 -7.055 8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.668 -7.207 7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.337 -8.753 8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.558 -9.757 7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.857 -10.493 9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.478 -9.802 9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.448 -9.061 11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.767 -7.679 10.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.355 -7.383 11.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.249 -8.351 10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.548 -9.041 12.274 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.581 -7.509 4.440 1.00 0.00 N ATOM 1818 CA GLU A 101 -10.359 -7.713 3.204 1.00 0.00 C ATOM 1819 C GLU A 101 -9.595 -8.372 2.036 1.00 0.00 C ATOM 1820 O GLU A 101 -10.191 -8.603 0.985 1.00 0.00 O ATOM 1821 CB GLU A 101 -11.029 -6.388 2.778 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.041 -5.893 3.830 1.00 0.00 C ATOM 1823 CD GLU A 101 -12.573 -4.465 3.588 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -11.930 -3.652 2.880 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -13.652 -4.133 4.131 1.00 0.00 O ATOM 0 H GLU A 101 -9.184 -6.572 4.507 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.122 -8.450 3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.264 -5.627 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.536 -6.528 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.885 -6.582 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.571 -5.930 4.813 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.304 -8.681 2.221 1.00 0.00 N ATOM 1833 CA HIS A 102 -7.421 -9.498 1.359 1.00 0.00 C ATOM 1834 C HIS A 102 -7.657 -9.384 -0.165 1.00 0.00 C ATOM 1835 O HIS A 102 -7.022 -8.558 -0.825 1.00 0.00 O ATOM 1836 CB HIS A 102 -7.396 -10.955 1.863 1.00 0.00 C ATOM 1837 CG HIS A 102 -6.405 -11.213 2.975 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -5.296 -12.023 2.890 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -6.415 -10.693 4.242 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.655 -11.997 4.067 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.302 -11.198 4.933 1.00 0.00 N ATOM 0 H HIS A 102 -7.804 -8.341 3.043 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.426 -9.065 1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -8.393 -11.223 2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -7.163 -11.613 1.025 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -7.152 -10.012 4.641 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -3.748 -12.540 4.288 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -5.038 -10.999 5.898 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.594 -10.171 -0.723 1.00 0.00 N ATOM 1850 CA ARG A 103 -9.014 -10.152 -2.140 1.00 0.00 C ATOM 1851 C ARG A 103 -9.292 -8.754 -2.692 1.00 0.00 C ATOM 1852 O ARG A 103 -8.865 -8.443 -3.808 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.265 -11.031 -2.326 1.00 0.00 C ATOM 1854 CG ARG A 103 -9.962 -12.536 -2.281 1.00 0.00 C ATOM 1855 CD ARG A 103 -11.237 -13.351 -2.552 1.00 0.00 C ATOM 1856 NE ARG A 103 -12.127 -13.395 -1.375 1.00 0.00 N ATOM 1857 CZ ARG A 103 -12.095 -14.275 -0.390 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -11.203 -15.222 -0.327 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -12.972 -14.216 0.571 1.00 0.00 N ATOM 0 H ARG A 103 -9.102 -10.868 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.170 -10.545 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.989 -10.790 -1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.731 -10.790 -3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -9.202 -12.782 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.554 -12.802 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.773 -12.916 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -10.964 -14.367 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.842 -12.670 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.494 -15.304 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.213 -15.881 0.451 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.687 -13.489 0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.944 -14.897 1.330 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.956 -7.896 -1.908 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.276 -6.515 -2.309 1.00 0.00 C ATOM 1875 C LYS A 104 -9.001 -5.690 -2.502 1.00 0.00 C ATOM 1876 O LYS A 104 -8.886 -4.951 -3.476 1.00 0.00 O ATOM 1877 CB LYS A 104 -11.211 -5.865 -1.275 1.00 0.00 C ATOM 1878 CG LYS A 104 -12.027 -4.730 -1.922 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.821 -3.912 -0.893 1.00 0.00 C ATOM 1880 CE LYS A 104 -11.984 -2.745 -0.353 1.00 0.00 C ATOM 1881 NZ LYS A 104 -12.673 -2.058 0.768 1.00 0.00 N ATOM 0 H LYS A 104 -10.289 -8.138 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.794 -6.543 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.885 -6.616 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.626 -5.472 -0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.353 -4.067 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.716 -5.154 -2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.732 -3.529 -1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.127 -4.556 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.016 -3.115 -0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.791 -2.032 -1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.348 -1.072 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.700 -2.075 0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.454 -2.545 1.661 1.00 0.00 H new ATOM 1895 N ILE A 105 -8.016 -5.853 -1.618 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.723 -5.167 -1.731 1.00 0.00 C ATOM 1897 C ILE A 105 -5.955 -5.671 -2.949 1.00 0.00 C ATOM 1898 O ILE A 105 -5.488 -4.845 -3.725 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.892 -5.272 -0.436 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.653 -4.580 0.713 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.507 -4.618 -0.619 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -6.069 -4.884 2.089 1.00 0.00 C ATOM 0 H ILE A 105 -8.089 -6.463 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.921 -4.105 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.742 -6.325 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.642 -3.502 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.696 -4.895 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.939 -4.704 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.970 -5.122 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.632 -3.565 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.650 -4.367 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.105 -5.958 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.034 -4.544 2.128 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.869 -6.986 -3.184 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.129 -7.513 -4.340 1.00 0.00 C ATOM 1916 C TYR A 106 -5.734 -6.999 -5.663 1.00 0.00 C ATOM 1917 O TYR A 106 -4.998 -6.573 -6.553 1.00 0.00 O ATOM 1918 CB TYR A 106 -5.162 -9.053 -4.361 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.694 -9.780 -3.112 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.527 -9.376 -2.437 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.405 -10.912 -2.660 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -3.087 -10.088 -1.307 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.980 -11.614 -1.517 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.812 -11.208 -0.839 1.00 0.00 C ATOM 1925 OH TYR A 106 -3.375 -11.910 0.239 1.00 0.00 O ATOM 0 H TYR A 106 -6.298 -7.700 -2.596 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.100 -7.167 -4.245 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.186 -9.365 -4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.550 -9.392 -5.197 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.970 -8.520 -2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -6.283 -11.242 -3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.189 -9.777 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.547 -12.461 -1.160 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.035 -11.846 0.961 1.00 0.00 H new ATOM 1935 N THR A 107 -7.068 -6.988 -5.794 1.00 0.00 N ATOM 1936 CA THR A 107 -7.741 -6.469 -6.998 1.00 0.00 C ATOM 1937 C THR A 107 -7.635 -4.955 -7.219 1.00 0.00 C ATOM 1938 O THR A 107 -7.427 -4.507 -8.349 1.00 0.00 O ATOM 1939 CB THR A 107 -9.160 -7.038 -7.168 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.492 -7.087 -8.539 1.00 0.00 O ATOM 1941 CG2 THR A 107 -10.238 -6.207 -6.477 1.00 0.00 C ATOM 0 H THR A 107 -7.707 -7.334 -5.078 1.00 0.00 H new ATOM 0 HA THR A 107 -7.155 -6.861 -7.829 1.00 0.00 H new ATOM 0 HB THR A 107 -9.139 -8.027 -6.709 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.396 -7.451 -8.644 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.212 -6.668 -6.639 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.032 -6.161 -5.408 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.240 -5.198 -6.890 1.00 0.00 H new ATOM 1949 N MET A 108 -7.683 -4.151 -6.146 1.00 0.00 N ATOM 1950 CA MET A 108 -7.397 -2.711 -6.223 1.00 0.00 C ATOM 1951 C MET A 108 -5.920 -2.431 -6.542 1.00 0.00 C ATOM 1952 O MET A 108 -5.617 -1.606 -7.404 1.00 0.00 O ATOM 1953 CB MET A 108 -7.779 -1.993 -4.918 1.00 0.00 C ATOM 1954 CG MET A 108 -9.288 -1.925 -4.656 1.00 0.00 C ATOM 1955 SD MET A 108 -9.779 -0.896 -3.234 1.00 0.00 S ATOM 1956 CE MET A 108 -8.941 -1.716 -1.846 1.00 0.00 C ATOM 0 H MET A 108 -7.919 -4.477 -5.209 1.00 0.00 H new ATOM 0 HA MET A 108 -8.007 -2.322 -7.039 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.299 -2.503 -4.082 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.380 -0.979 -4.944 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.779 -1.541 -5.550 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.660 -2.937 -4.498 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.219 -1.226 -0.913 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.239 -2.764 -1.809 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.862 -1.651 -1.983 1.00 0.00 H new ATOM 1966 N MET A 109 -4.991 -3.126 -5.878 1.00 0.00 N ATOM 1967 CA MET A 109 -3.549 -2.871 -5.979 1.00 0.00 C ATOM 1968 C MET A 109 -2.972 -3.319 -7.332 1.00 0.00 C ATOM 1969 O MET A 109 -1.972 -2.762 -7.785 1.00 0.00 O ATOM 1970 CB MET A 109 -2.825 -3.469 -4.756 1.00 0.00 C ATOM 1971 CG MET A 109 -2.362 -4.927 -4.836 1.00 0.00 C ATOM 1972 SD MET A 109 -0.707 -5.201 -5.537 1.00 0.00 S ATOM 1973 CE MET A 109 0.314 -4.232 -4.386 1.00 0.00 C ATOM 0 H MET A 109 -5.222 -3.893 -5.246 1.00 0.00 H new ATOM 0 HA MET A 109 -3.375 -1.795 -5.956 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.950 -2.852 -4.551 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.489 -3.376 -3.897 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.384 -5.350 -3.832 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.084 -5.484 -5.432 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.330 -4.626 -4.381 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.330 -3.189 -4.703 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.106 -4.299 -3.382 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.655 -4.222 -8.046 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.326 -4.569 -9.430 1.00 0.00 C ATOM 1985 C ALA A 110 -3.390 -3.355 -10.386 1.00 0.00 C ATOM 1986 O ALA A 110 -2.593 -3.265 -11.322 1.00 0.00 O ATOM 1987 CB ALA A 110 -4.279 -5.684 -9.874 1.00 0.00 C ATOM 0 H ALA A 110 -4.456 -4.734 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.292 -4.912 -9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.057 -5.964 -10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.151 -6.551 -9.227 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.308 -5.331 -9.808 1.00 0.00 H new ATOM 1993 N SER A 111 -4.266 -2.373 -10.130 1.00 0.00 N ATOM 1994 CA SER A 111 -4.334 -1.127 -10.920 1.00 0.00 C ATOM 1995 C SER A 111 -3.098 -0.230 -10.743 1.00 0.00 C ATOM 1996 O SER A 111 -2.850 0.656 -11.560 1.00 0.00 O ATOM 1997 CB SER A 111 -5.604 -0.333 -10.584 1.00 0.00 C ATOM 1998 OG SER A 111 -5.512 0.308 -9.323 1.00 0.00 O ATOM 0 H SER A 111 -4.947 -2.416 -9.372 1.00 0.00 H new ATOM 0 HA SER A 111 -4.361 -1.436 -11.965 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.780 0.414 -11.358 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.463 -1.004 -10.588 1.00 0.00 H new ATOM 0 HG SER A 111 -5.677 -0.345 -8.611 1.00 0.00 H new ATOM 2004 N MET A 112 -2.279 -0.458 -9.711 1.00 0.00 N ATOM 2005 CA MET A 112 -1.036 0.286 -9.479 1.00 0.00 C ATOM 2006 C MET A 112 0.129 -0.212 -10.348 1.00 0.00 C ATOM 2007 O MET A 112 1.174 0.434 -10.382 1.00 0.00 O ATOM 2008 CB MET A 112 -0.665 0.261 -7.991 1.00 0.00 C ATOM 2009 CG MET A 112 -1.835 0.676 -7.097 1.00 0.00 C ATOM 2010 SD MET A 112 -1.464 0.701 -5.329 1.00 0.00 S ATOM 2011 CE MET A 112 -3.153 1.023 -4.772 1.00 0.00 C ATOM 0 H MET A 112 -2.462 -1.172 -9.006 1.00 0.00 H new ATOM 0 HA MET A 112 -1.222 1.317 -9.779 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.338 -0.742 -7.717 1.00 0.00 H new ATOM 0 HB3 MET A 112 0.178 0.930 -7.817 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.170 1.669 -7.398 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.667 -0.007 -7.270 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.131 1.428 -3.760 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.626 1.742 -5.441 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.722 0.093 -4.779 1.00 0.00 H new ATOM 2021 N THR A 113 -0.045 -1.335 -11.059 1.00 0.00 N ATOM 2022 CA THR A 113 0.963 -1.963 -11.937 1.00 0.00 C ATOM 2023 C THR A 113 0.474 -2.449 -13.313 1.00 0.00 C ATOM 2024 O THR A 113 1.294 -2.685 -14.203 1.00 0.00 O ATOM 2025 CB THR A 113 1.778 -3.052 -11.210 1.00 0.00 C ATOM 2026 OG1 THR A 113 1.089 -4.282 -11.267 1.00 0.00 O ATOM 2027 CG2 THR A 113 2.091 -2.771 -9.735 1.00 0.00 C ATOM 0 H THR A 113 -0.923 -1.853 -11.040 1.00 0.00 H new ATOM 0 HA THR A 113 1.622 -1.129 -12.177 1.00 0.00 H new ATOM 0 HB THR A 113 2.731 -3.073 -11.738 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.511 -4.922 -10.657 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.667 -3.599 -9.321 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.669 -1.851 -9.655 1.00 0.00 H new ATOM 0 HG23 THR A 113 1.159 -2.664 -9.179 1.00 0.00 H new